#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja6 n GLU 19 N 0.00 0.00 -0.34 -1.08 1.02 -1.26 -4.50 120.64 114.48 2ja6 n GLU 19 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2ja6 n GLU 19 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2ja6 n GLU 19 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2ja6 h ASP 20 N 0.00 -1.91 -2.76 1.62 3.32 -2.01 -3.34 116.42 111.34 2ja6 h ASP 20 Ca 0.00 0.30 -0.54 0.00 0.02 0.00 0.00 57.03 56.82 2ja6 h ASP 20 Cb 0.00 0.86 0.02 0.00 0.22 0.00 0.00 39.33 40.43 2ja6 h ASP 20 CO 0.00 -0.28 0.94 -1.61 -1.72 0.00 0.00 179.24 176.57 2ja6 s GLU 21 N -5.64 4.22 -0.24 3.56 2.02 -1.26 -2.97 118.70 118.39 2ja6 s GLU 21 Ca -0.13 2.23 -0.06 0.00 0.02 0.00 0.00 54.97 57.03 2ja6 s GLU 21 Cb 0.13 -3.56 0.02 0.00 0.10 0.00 0.00 34.13 30.82 2ja6 s GLU 21 CO 0.64 -0.68 0.13 -1.13 0.02 0.00 0.00 175.26 174.24 2ja6 n SER 22 N 5.41 -4.17 -2.93 -0.19 3.41 -1.25 -4.95 113.62 108.94 2ja6 n SER 22 Ca 0.15 1.37 -0.08 0.00 -0.26 0.00 0.00 58.87 60.06 2ja6 n SER 22 Cb 0.41 -5.18 0.03 0.00 -0.26 0.00 0.00 64.21 59.21 2ja6 n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ja6 s ALA 23 N -1.12 -0.90 1.15 7.33 0.00 -1.26 -4.86 121.76 122.10 2ja6 s ALA 23 Ca -0.15 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 2ja6 s ALA 23 Cb 0.01 0.68 0.26 0.00 0.00 0.00 0.00 23.12 24.08 2ja6 s ALA 23 CO 0.77 -1.00 1.11 -1.25 0.00 0.00 0.00 175.76 175.38 2ja6 s PRO 24 N -2.10 -0.79 -0.26 0.00 0.04 -1.26 -3.51 135.00 127.12 2ja6 s PRO 24 Ca 0.18 0.07 -0.01 0.00 0.04 0.00 0.00 61.00 61.27 2ja6 s PRO 24 Cb -0.05 -1.63 0.08 0.00 0.04 0.00 0.00 34.50 32.94 2ja6 s PRO 24 CO 0.10 -3.45 0.06 0.42 0.04 0.00 0.00 177.00 174.17 2ja6 s ILE 25 N -3.01 0.81 0.48 0.56 1.01 -1.26 -3.36 121.20 116.42 2ja6 s ILE 25 Ca 0.70 -1.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 2ja6 s ILE 25 Cb -0.12 -1.44 0.12 0.00 0.01 0.00 0.00 42.46 41.03 2ja6 s ILE 25 CO 0.56 -0.43 0.39 0.35 0.00 0.00 0.00 174.94 175.81 2ja6 n THR 26 N 4.91 0.00 0.05 2.92 -2.24 -1.26 -4.41 114.28 114.25 2ja6 n THR 26 Ca -0.06 -0.14 -0.02 0.00 -2.27 0.00 0.00 64.05 61.56 2ja6 n THR 26 Cb 0.44 -0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 67.73 2ja6 n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ja6 h ALA 27 N -2.35 -0.80 0.00 6.98 0.00 -2.00 -3.17 119.26 117.92 2ja6 h ALA 27 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ja6 h ALA 27 Cb 0.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ja6 h ALA 27 CO 0.10 -0.79 0.93 -1.91 0.00 0.00 0.00 179.25 177.58 2ja6 n GLU 28 N -2.41 0.03 0.20 0.00 4.07 -1.26 0.06 120.64 121.32 2ja6 n GLU 28 Ca -0.02 0.88 -0.12 0.00 -0.06 0.00 0.00 57.16 57.84 2ja6 n GLU 28 Cb 0.05 -2.40 -0.06 0.00 -0.06 0.00 0.00 31.44 28.96 2ja6 n GLU 28 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2ja6 h ASP 29 N 0.00 -0.47 -0.04 4.31 3.32 -1.91 -3.33 116.42 118.30 2ja6 h ASP 29 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2ja6 h ASP 29 Cb 1.86 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 41.53 2ja6 h ASP 29 CO 0.00 -0.05 -0.02 -1.20 -1.72 0.00 0.00 179.24 176.25 2ja6 n SER 30 N -5.17 -0.04 -0.33 6.45 7.64 0.11 0.12 113.62 122.41 2ja6 n SER 30 Ca -0.09 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2ja6 n SER 30 Cb 0.28 -0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.53 2ja6 n SER 30 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 2ja6 h TRP 31 N 0.00 -0.83 -0.91 1.43 -0.00 -1.73 0.41 115.95 114.32 2ja6 h TRP 31 Ca 0.01 0.09 0.25 0.00 -0.00 0.00 0.00 58.89 59.23 2ja6 h TRP 31 Cb 0.01 0.50 -0.14 0.00 -0.00 0.00 0.00 29.16 29.53 2ja6 h TRP 31 CO -0.04 -0.40 0.36 0.00 -0.00 0.00 0.00 178.44 178.36 2ja6 h ALA 32 N 1.52 1.46 0.19 1.49 0.00 0.77 0.62 119.26 125.31 2ja6 h ALA 32 Ca 0.36 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 2ja6 h ALA 32 Cb 0.62 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ja6 h ALA 32 CO -0.92 -0.44 -0.09 0.28 0.00 0.00 0.00 179.25 178.08 2ja6 h VAL 33 N 0.30 0.83 -0.06 0.00 2.07 -0.25 -2.01 116.25 117.12 2ja6 h VAL 33 Ca 0.59 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 68.08 2ja6 h VAL 33 Cb 1.20 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2ja6 h VAL 33 CO -0.60 0.01 -0.16 0.40 0.02 0.00 0.00 177.57 177.25 2ja6 h ILE 34 N -0.28 0.60 -0.93 4.57 2.04 -0.11 -1.09 117.51 122.31 2ja6 h ILE 34 Ca -0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.98 2ja6 h ILE 34 Cb 0.22 0.60 -0.15 0.00 -0.74 0.00 0.00 36.82 36.75 2ja6 h ILE 34 CO 0.04 0.00 -0.37 0.28 0.00 0.00 0.00 178.15 178.10 2ja6 h SER 35 N -0.23 -1.37 -0.86 1.72 0.02 0.29 2.22 113.55 115.35 2ja6 h SER 35 Ca 0.07 0.30 0.13 0.00 -0.84 0.00 0.00 61.79 61.45 2ja6 h SER 35 Cb 0.33 0.72 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 2ja6 h SER 35 CO -0.19 -0.29 0.56 0.00 -1.14 0.00 0.00 176.83 175.76 2ja6 h ALA 36 N 1.35 1.85 0.39 3.77 0.00 -0.50 -2.28 119.26 123.84 2ja6 h ALA 36 Ca 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2ja6 h ALA 36 Cb 0.60 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2ja6 h ALA 36 CO -0.94 -0.07 -0.48 0.35 0.00 0.00 0.00 179.25 178.11 2ja6 h PHE 37 N 0.67 -1.34 0.00 0.00 3.57 0.48 -2.58 116.94 117.74 2ja6 h PHE 37 Ca 0.42 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 2ja6 h PHE 37 Cb 0.67 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2ja6 h PHE 37 CO -0.00 -0.61 -0.11 0.74 -2.23 0.00 0.00 178.31 176.09 2ja6 h PHE 38 N -0.89 0.00 -0.04 0.41 -1.00 -1.26 -0.52 116.94 113.63 2ja6 h PHE 38 Ca -0.05 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.77 2ja6 h PHE 38 Cb 0.79 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.31 2ja6 h PHE 38 CO -0.29 0.11 -0.24 0.00 -1.61 0.00 0.00 178.31 176.29 2ja6 h ARG 39 N 0.00 -0.34 0.11 1.51 3.08 -1.00 -2.21 114.38 115.53 2ja6 h ARG 39 Ca -0.00 0.02 -0.32 0.00 0.07 0.00 0.00 59.98 59.75 2ja6 h ARG 39 Cb 0.54 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2ja6 h ARG 39 CO 0.01 -0.22 -1.66 1.49 -1.07 0.00 0.00 179.97 178.52 2ja6 h GLU 40 N -0.35 0.24 0.00 0.04 4.81 -1.46 -3.43 114.58 114.43 2ja6 h GLU 40 Ca 0.07 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2ja6 h GLU 40 Cb 0.45 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2ja6 h GLU 40 CO -0.25 1.08 -0.01 0.87 -0.73 0.00 0.00 179.01 179.98 2ja6 h LYS 41 N 0.07 0.00 0.00 1.92 1.79 -1.06 -3.51 116.57 115.77 2ja6 h LYS 41 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2ja6 h LYS 41 Cb 2.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.68 2ja6 h LYS 41 CO 0.14 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.92 2ja6 n GLY 42 N 1.92 1.84 0.14 3.86 0.00 -0.84 -4.16 105.19 107.96 2ja6 n GLY 42 Ca -0.00 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.35 2ja6 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ja6 n LEU 43 N -0.13 0.63 -0.61 0.99 4.77 -1.26 -2.55 117.00 118.84 2ja6 n LEU 43 Ca 0.00 0.70 0.09 0.00 -0.03 0.00 0.00 56.01 56.77 2ja6 n LEU 43 Cb 0.00 -0.67 0.04 0.00 -2.33 0.00 0.00 43.42 40.47 2ja6 n LEU 43 CO 0.00 -0.70 0.43 1.33 -1.33 0.00 0.00 177.39 177.12 2ja6 n VAL 44 N -2.25 0.00 0.00 4.08 0.24 -1.26 -4.86 118.33 114.28 2ja6 n VAL 44 Ca 0.01 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2ja6 n VAL 44 Cb 0.16 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 2ja6 n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2ja6 n SER 45 N 0.54 0.00 0.00 -1.34 3.41 -1.06 -2.02 113.62 113.15 2ja6 n SER 45 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2ja6 n SER 45 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2ja6 n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ja6 n GLN 46 N 0.00 0.00 -0.34 4.33 10.64 -1.26 0.95 117.38 131.71 2ja6 n GLN 46 Ca 0.00 0.00 0.15 0.00 -1.83 0.00 0.00 57.00 55.32 2ja6 n GLN 46 Cb 0.00 0.00 0.30 0.00 -0.86 0.00 0.00 30.24 29.68 2ja6 n GLN 46 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 2ja6 h GLN 47 N 0.00 0.02 0.00 2.61 1.08 -1.77 -0.07 115.11 116.98 2ja6 h GLN 47 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ja6 h GLN 47 Cb 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2ja6 h GLN 47 CO 0.00 0.01 0.00 1.28 -0.95 0.00 0.00 178.83 179.17 2ja6 n LEU 48 N -5.46 0.51 -0.22 1.46 4.77 0.27 -2.50 117.00 115.84 2ja6 n LEU 48 Ca 0.24 0.28 0.02 0.00 -0.03 0.00 0.00 56.01 56.52 2ja6 n LEU 48 Cb 0.77 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.93 2ja6 n LEU 48 CO -0.05 0.00 0.37 0.47 -1.33 0.00 0.00 177.39 176.85 2ja6 n ASP 49 N -0.37 -0.27 -0.32 -1.43 8.00 -0.90 0.13 116.55 121.41 2ja6 n ASP 49 Ca 0.00 1.02 0.04 0.00 0.71 0.00 0.00 54.79 56.55 2ja6 n ASP 49 Cb 0.00 -0.28 0.18 0.00 -0.02 0.00 0.00 41.12 41.00 2ja6 n ASP 49 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2ja6 h SER 50 N 0.00 0.78 -0.11 -2.24 0.87 -1.12 0.80 113.55 112.53 2ja6 h SER 50 Ca 0.26 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2ja6 h SER 50 Cb 0.40 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2ja6 h SER 50 CO -0.60 0.45 -0.01 0.15 -0.53 0.00 0.00 176.83 176.29 2ja6 h PHE 51 N 0.89 0.23 0.02 2.24 3.57 0.14 -2.27 116.94 121.77 2ja6 h PHE 51 Ca 0.42 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.88 2ja6 h PHE 51 Cb 0.35 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2ja6 h PHE 51 CO -0.04 0.48 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.36 2ja6 h ASN 52 N -0.08 -0.77 -0.49 0.41 2.35 -0.61 0.82 115.58 117.21 2ja6 h ASN 52 Ca 0.03 0.08 0.14 0.00 -0.55 0.00 0.00 56.30 56.01 2ja6 h ASN 52 Cb 0.40 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 2ja6 h ASN 52 CO 0.01 -0.25 0.68 -0.61 -1.65 0.00 0.00 177.43 175.61 2ja6 h GLN 53 N -0.33 0.00 0.08 0.81 5.75 -0.89 0.18 115.11 120.71 2ja6 h GLN 53 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2ja6 h GLN 53 Cb 0.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.90 2ja6 h GLN 53 CO -0.15 0.00 -0.04 0.35 -2.65 0.00 0.00 178.83 176.34 2ja6 h PHE 54 N 0.00 -0.10 0.00 3.99 3.57 -0.26 -2.66 116.94 121.48 2ja6 h PHE 54 Ca 0.23 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2ja6 h PHE 54 Cb 1.60 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.37 2ja6 h PHE 54 CO 0.00 0.43 0.00 0.28 -2.23 0.00 0.00 178.31 176.79 2ja6 n VAL 55 N -4.85 0.00 0.00 1.41 0.31 0.53 0.18 118.33 115.90 2ja6 n VAL 55 Ca -0.08 1.25 0.00 0.00 -0.01 0.00 0.00 64.34 65.50 2ja6 n VAL 55 Cb 0.29 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 2ja6 n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2ja6 n ASP 56 N -1.62 0.00 0.00 4.52 8.00 -0.57 -3.27 116.55 123.62 2ja6 n ASP 56 Ca 0.00 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.23 2ja6 n ASP 56 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 2ja6 n ASP 56 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2ja6 n TYR 57 N -2.24 0.00 -0.14 1.24 4.02 -1.22 -4.42 117.16 114.39 2ja6 n TYR 57 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2ja6 n TYR 57 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.34 2ja6 n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2ja6 n THR 58 N -0.71 -0.19 -0.28 -0.72 -1.04 -1.01 -0.04 114.28 110.29 2ja6 n THR 58 Ca 0.00 0.86 0.06 0.00 -2.04 0.00 0.00 64.05 62.93 2ja6 n THR 58 Cb 0.00 -1.14 0.20 0.00 -1.82 0.00 0.00 70.33 67.57 2ja6 n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2ja6 h LEU 59 N 0.00 0.46 0.66 -4.42 5.85 0.19 -2.03 115.31 116.01 2ja6 h LEU 59 Ca 0.13 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 2ja6 h LEU 59 Cb 0.22 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.28 2ja6 h LEU 59 CO -0.37 0.20 -0.32 -0.61 -0.34 0.00 0.00 178.44 177.00 2ja6 h GLN 60 N 0.57 -0.86 0.00 1.25 5.75 -0.61 -2.79 115.11 118.42 2ja6 h GLN 60 Ca 0.44 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 59.00 2ja6 h GLN 60 Cb 0.61 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.36 2ja6 h GLN 60 CO -0.36 -0.57 0.46 -0.25 -2.65 0.00 0.00 178.83 175.46 2ja6 n ASP 61 N -4.52 0.18 -0.02 -0.69 9.92 -0.86 0.40 116.55 120.96 2ja6 n ASP 61 Ca -0.11 0.41 -0.21 0.00 -0.53 0.00 0.00 54.79 54.34 2ja6 n ASP 61 Cb 0.35 -0.29 -0.13 0.00 -0.64 0.00 0.00 41.12 40.41 2ja6 n ASP 61 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ja6 n ILE 62 N -1.85 1.73 0.29 0.53 5.41 -0.82 -3.96 119.36 120.69 2ja6 n ILE 62 Ca -0.00 -0.58 0.15 0.00 1.00 0.00 0.00 62.75 63.31 2ja6 n ILE 62 Cb 0.47 -1.74 0.90 0.00 -0.71 0.00 0.00 39.64 38.56 2ja6 n ILE 62 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 2ja6 h ILE 63 N -0.06 0.51 -3.45 1.39 6.09 0.19 -3.37 117.51 118.81 2ja6 h ILE 63 Ca -0.43 -0.08 -0.70 0.00 -1.37 0.00 0.00 64.86 62.27 2ja6 h ILE 63 Cb 1.94 1.05 -0.33 0.00 0.47 0.00 0.00 36.82 39.95 2ja6 h ILE 63 CO 0.04 0.02 -0.51 0.00 -3.07 0.00 0.00 178.15 174.63 2ja6 n GLU 65 N 4.62 0.00 -0.49 0.00 0.28 -1.26 -4.85 120.64 118.94 2ja6 n GLU 65 Ca -0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.05 2ja6 n GLU 65 Cb 0.41 0.00 0.29 0.00 1.43 0.00 0.00 31.44 33.57 2ja6 n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ja6 n ASP 66 N -0.72 4.18 0.02 -1.84 5.75 -1.26 -4.63 116.55 118.04 2ja6 n ASP 66 Ca 0.00 -2.52 -0.16 0.00 -0.01 0.00 0.00 54.79 52.10 2ja6 n ASP 66 Cb 0.00 -0.50 -0.10 0.00 -1.03 0.00 0.00 41.12 39.49 2ja6 n ASP 66 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2ja6 h SER 67 N 3.02 -1.70 -1.96 -1.12 4.64 -1.89 -3.42 113.55 111.11 2ja6 h SER 67 Ca 0.00 0.20 -0.65 0.00 -0.47 0.00 0.00 61.79 60.87 2ja6 h SER 67 Cb 1.32 0.66 0.07 0.00 -0.31 0.00 0.00 62.40 64.13 2ja6 h SER 67 CO 0.19 -0.50 0.43 0.41 -0.87 0.00 0.00 176.83 176.49 2ja6 n THR 68 N -5.45 0.48 -4.42 2.95 -1.04 -1.26 -4.88 114.28 100.66 2ja6 n THR 68 Ca -0.07 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 2ja6 n THR 68 Cb 0.39 -0.98 -0.07 0.00 -1.82 0.00 0.00 70.33 67.85 2ja6 n THR 68 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2ja6 s LEU 69 N 0.56 2.71 -1.00 -4.42 1.43 -1.26 -4.98 118.68 111.72 2ja6 s LEU 69 Ca 0.77 -1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2ja6 s LEU 69 Cb -0.85 -1.03 0.33 0.00 0.03 0.00 0.00 46.19 44.66 2ja6 s LEU 69 CO 0.48 -0.72 1.86 -0.38 0.23 0.00 0.00 176.35 177.82 2ja6 n ILE 70 N -1.28 5.69 0.00 -0.59 5.41 -1.26 -4.90 119.36 122.43 2ja6 n ILE 70 Ca -0.08 -5.70 0.00 0.00 1.00 0.00 0.00 62.75 57.97 2ja6 n ILE 70 Cb 0.66 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 2ja6 n ILE 70 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2ja6 n ILE 90 N -0.14 0.00 -4.00 1.39 5.41 -1.26 -5.17 119.36 115.59 2ja6 n ILE 90 Ca 0.48 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 64.01 2ja6 n ILE 90 Cb 0.26 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.14 2ja6 n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ja6 s SER 91 N 0.00 5.16 -0.08 4.38 1.04 -1.19 -4.32 113.70 118.70 2ja6 s SER 91 Ca 0.00 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.96 2ja6 s SER 91 Cb 0.00 -1.03 0.01 0.00 0.10 0.00 0.00 66.02 65.10 2ja6 s SER 91 CO 0.00 -0.22 -0.13 -0.36 0.98 0.00 0.00 173.24 173.51 2ja6 s PHE 92 N -2.28 1.63 0.00 5.02 0.40 -1.26 -1.38 117.98 120.11 2ja6 s PHE 92 Ca 0.37 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2ja6 s PHE 92 Cb -0.06 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.28 2ja6 s PHE 92 CO 0.25 -0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.24 2ja6 n GLY 93 N 3.95 2.40 3.17 4.36 0.00 0.17 -4.86 105.19 114.38 2ja6 n GLY 93 Ca -0.21 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 2ja6 n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ja6 n LYS 94 N 0.00 -0.19 -4.43 1.61 4.81 -1.26 -4.41 118.16 114.29 2ja6 n LYS 94 Ca 0.00 -0.04 -0.20 0.00 -0.87 0.00 0.00 58.31 57.20 2ja6 n LYS 94 Cb 0.00 -1.35 -0.15 0.00 0.02 0.00 0.00 35.03 33.55 2ja6 n LYS 94 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2ja6 s ILE 95 N -2.16 0.80 -0.12 3.15 2.07 -1.26 -1.53 121.20 122.16 2ja6 s ILE 95 Ca 0.47 -0.42 -0.01 0.00 -1.41 0.00 0.00 60.65 59.27 2ja6 s ILE 95 Cb -0.17 -0.68 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 2ja6 s ILE 95 CO 0.75 0.23 -0.07 -0.31 -1.91 0.00 0.00 174.94 173.63 2ja6 s TYR 96 N -0.17 2.94 -0.36 3.50 1.51 0.91 -4.95 117.35 120.73 2ja6 s TYR 96 Ca 0.03 -0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 2ja6 s TYR 96 Cb -0.05 -1.85 0.07 0.00 -0.11 0.00 0.00 41.96 40.03 2ja6 s TYR 96 CO -0.00 0.05 0.12 0.08 -1.11 0.00 0.00 175.55 174.68 2ja6 s VAL 97 N -0.04 3.36 0.38 0.71 1.01 -1.26 -1.20 120.40 123.35 2ja6 s VAL 97 Ca -0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 61.98 60.23 2ja6 s VAL 97 Cb -0.13 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 2ja6 s VAL 97 CO 0.03 -0.38 0.80 0.42 0.00 0.00 0.00 175.10 175.97 2ja6 s THR 98 N 1.25 4.66 0.76 3.92 -4.23 -0.96 -4.99 115.64 116.04 2ja6 s THR 98 Ca 0.01 0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 61.36 2ja6 s THR 98 Cb -0.21 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 70.02 2ja6 s THR 98 CO -0.01 -0.35 1.09 -0.54 -0.54 0.00 0.00 174.62 174.26 2ja6 s LYS 99 N -3.37 2.38 0.20 3.99 1.02 -1.26 -3.81 119.74 118.89 2ja6 s LYS 99 Ca 0.55 1.13 -0.25 0.00 0.02 0.00 0.00 55.97 57.42 2ja6 s LYS 99 Cb -0.10 -1.91 -0.15 0.00 -0.52 0.00 0.00 37.83 35.14 2ja6 s LYS 99 CO 0.22 -1.54 0.44 -2.30 -0.92 0.00 0.00 175.35 171.25 2ja6 n PRO 100 N -3.44 0.00 -1.52 -1.68 -0.02 -1.23 -4.55 135.00 122.56 2ja6 n PRO 100 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2ja6 n PRO 100 Cb 0.53 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 2ja6 n PRO 100 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2ja6 n MET 101 N 0.94 0.00 -3.15 -0.52 2.81 -1.26 -3.04 117.12 112.90 2ja6 n MET 101 Ca 0.16 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.09 2ja6 n MET 101 Cb 0.24 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.74 2ja6 n MET 101 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2ja6 s VAL 102 N -2.34 -0.89 -0.58 2.03 1.01 -1.16 -4.61 120.40 113.86 2ja6 s VAL 102 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 2ja6 s VAL 102 Cb 0.00 -1.00 0.11 0.00 0.00 0.00 0.00 36.38 35.50 2ja6 s VAL 102 CO 0.00 0.00 0.64 0.21 0.00 0.00 0.00 175.10 175.95 2ja6 s ASN 103 N 2.87 6.20 0.12 3.32 2.47 -1.26 -3.37 114.94 125.28 2ja6 s ASN 103 Ca 0.17 -1.57 0.09 0.00 0.42 0.00 0.00 52.86 51.97 2ja6 s ASN 103 Cb -0.14 -2.27 -0.04 0.00 -1.45 0.00 0.00 41.25 37.35 2ja6 s ASN 103 CO -0.20 -1.03 -0.19 -1.83 -3.72 0.00 0.00 177.10 170.14 2ja6 s GLU 104 N 2.30 1.75 0.72 0.43 -1.05 -1.26 -5.04 118.70 116.56 2ja6 s GLU 104 Ca 0.09 -1.19 -0.13 0.00 -0.15 0.00 0.00 54.97 53.59 2ja6 s GLU 104 Cb -0.26 -2.09 0.03 0.00 -0.44 0.00 0.00 34.13 31.37 2ja6 s GLU 104 CO 0.05 0.48 1.11 -1.54 0.95 0.00 0.00 175.26 176.31 2ja6 s SER 105 N -2.12 4.70 -1.34 0.83 1.04 -1.25 -2.85 113.70 112.70 2ja6 s SER 105 Ca 0.17 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.57 2ja6 s SER 105 Cb -0.11 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2ja6 s SER 105 CO 0.10 -1.90 0.00 0.47 0.98 0.00 0.00 173.24 172.88 2ja6 n ASP 106 N -2.96 -3.98 -3.84 7.02 8.00 -1.26 -4.88 116.55 114.65 2ja6 n ASP 106 Ca 0.10 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.82 2ja6 n ASP 106 Cb 0.52 -3.46 -0.07 0.00 -0.02 0.00 0.00 41.12 38.10 2ja6 n ASP 106 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2ja6 s GLY 107 N -2.13 0.12 0.00 0.44 0.00 -1.13 -5.15 107.32 99.46 2ja6 s GLY 107 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.15 2ja6 s GLY 107 CO 0.00 -0.70 0.00 -0.62 0.00 0.00 0.00 173.10 171.78 2ja6 n VAL 108 N -0.14 0.00 -3.18 1.40 0.31 -1.26 -4.54 118.33 110.92 2ja6 n VAL 108 Ca -0.13 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.21 2ja6 n VAL 108 Cb 0.63 -0.12 -0.01 0.00 -0.91 0.00 0.00 33.84 33.42 2ja6 n VAL 108 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2ja6 s THR 109 N 0.00 -0.95 0.51 2.52 2.01 -1.26 -4.04 115.64 114.43 2ja6 s THR 109 Ca 0.00 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.78 2ja6 s THR 109 Cb 0.00 -0.04 -0.07 0.00 0.01 0.00 0.00 72.50 72.39 2ja6 s THR 109 CO 0.00 0.00 1.06 1.41 -0.69 0.00 0.00 174.62 176.40 2ja6 n HIS 110 N 4.42 1.25 -2.82 4.92 8.25 -1.22 -4.71 115.22 125.32 2ja6 n HIS 110 Ca 0.10 0.48 -0.43 0.00 -0.26 0.00 0.00 57.72 57.62 2ja6 n HIS 110 Cb 0.57 -2.22 -0.04 0.00 1.12 0.00 0.00 29.99 29.42 2ja6 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ja6 s ALA 111 N -1.38 3.12 0.46 -1.41 0.00 -1.26 -2.97 121.76 118.32 2ja6 s ALA 111 Ca 0.69 -1.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 2ja6 s ALA 111 Cb -0.47 -3.80 -0.09 0.00 0.00 0.00 0.00 23.12 18.75 2ja6 s ALA 111 CO 0.52 -2.53 1.01 -1.17 0.00 0.00 0.00 175.76 173.59 2ja6 s LEU 112 N 4.10 3.92 0.28 0.00 2.96 -1.17 -4.98 118.68 123.79 2ja6 s LEU 112 Ca 0.29 1.87 0.05 0.00 -0.22 0.00 0.00 54.13 56.13 2ja6 s LEU 112 Cb -0.13 -4.50 -0.06 0.00 0.50 0.00 0.00 46.19 42.00 2ja6 s LEU 112 CO 0.17 -0.61 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.25 2ja6 s TYR 113 N -1.99 1.87 0.00 5.38 1.51 -1.26 -4.71 117.35 118.15 2ja6 s TYR 113 Ca 0.64 -0.80 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 2ja6 s TYR 113 Cb -0.15 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 2ja6 s TYR 113 CO 0.19 0.16 0.53 -0.35 -1.11 0.00 0.00 175.55 174.97 2ja6 n PRO 114 N -0.57 0.00 -0.10 -1.71 -0.04 -1.26 -3.35 135.00 127.97 2ja6 n PRO 114 Ca -0.05 0.20 0.17 0.00 -0.04 0.00 0.00 63.50 63.78 2ja6 n PRO 114 Cb 0.64 -1.08 0.26 0.00 -0.04 0.00 0.00 33.50 33.28 2ja6 n PRO 114 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ja6 n GLN 115 N -1.09 0.01 -0.07 0.54 -0.06 -1.26 -0.21 117.38 115.24 2ja6 n GLN 115 Ca 0.00 0.72 -0.13 0.00 -2.00 0.00 0.00 57.00 55.59 2ja6 n GLN 115 Cb 0.00 -1.80 -0.11 0.00 -4.06 0.00 0.00 30.24 24.27 2ja6 n GLN 115 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2ja6 h GLU 116 N 0.00 0.00 -0.88 3.69 4.81 -1.89 -3.29 114.58 117.02 2ja6 h GLU 116 Ca 0.30 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.77 2ja6 h GLU 116 Cb 1.99 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.33 2ja6 h GLU 116 CO -0.00 0.84 0.62 0.00 -0.73 0.00 0.00 179.01 179.74 2ja6 h ALA 117 N -0.24 2.71 -0.10 2.92 0.00 -0.59 0.47 119.26 124.42 2ja6 h ALA 117 Ca -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2ja6 h ALA 117 Cb 0.91 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2ja6 h ALA 117 CO -0.04 -0.97 -0.36 0.00 0.00 0.00 0.00 179.25 177.88 2ja6 h ARG 118 N 0.07 0.21 0.06 0.00 3.08 -1.62 0.29 114.38 116.47 2ja6 h ARG 118 Ca 0.43 -0.09 -0.31 0.00 0.07 0.00 0.00 59.98 60.08 2ja6 h ARG 118 Cb 1.57 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 2ja6 h ARG 118 CO -0.04 0.55 -1.69 -0.07 -1.07 0.00 0.00 179.97 177.65 2ja6 h LEU 119 N 0.18 0.21 -1.18 3.04 3.38 -0.23 -3.35 115.31 117.37 2ja6 h LEU 119 Ca 0.02 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2ja6 h LEU 119 Cb 0.73 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2ja6 h LEU 119 CO 0.06 1.34 0.00 0.54 0.09 0.00 0.00 178.44 180.46 2ja6 n ARG 120 N -3.29 1.80 -3.42 1.13 1.74 -0.09 -4.95 116.66 109.59 2ja6 n ARG 120 Ca -0.19 -1.18 -0.17 0.00 -0.77 0.00 0.00 57.85 55.54 2ja6 n ARG 120 Cb 1.04 -1.45 0.08 0.00 -1.02 0.00 0.00 32.46 31.11 2ja6 n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ja6 n ASN 121 N 0.41 -3.07 0.00 0.55 5.03 0.67 -4.89 115.26 113.96 2ja6 n ASN 121 Ca 0.17 -0.66 0.00 0.00 0.87 0.00 0.00 54.58 54.96 2ja6 n ASN 121 Cb 0.38 -5.03 0.00 0.00 -1.02 0.00 0.00 39.78 34.11 2ja6 n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2ja6 n LEU 122 N -3.94 0.00 -3.30 3.41 4.77 0.65 -3.70 117.00 114.88 2ja6 n LEU 122 Ca -0.24 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.66 2ja6 n LEU 122 Cb 0.66 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2ja6 n LEU 122 CO 0.61 0.00 -0.06 -0.89 -1.33 0.00 0.00 177.39 175.72 2ja6 s THR 123 N 3.81 -0.64 0.00 -5.08 2.01 -1.26 0.39 115.64 114.87 2ja6 s THR 123 Ca 0.00 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.44 2ja6 s THR 123 Cb 0.00 -0.99 -0.34 0.00 0.01 0.00 0.00 72.50 71.18 2ja6 s THR 123 CO 0.00 -0.28 1.49 0.00 -0.69 0.00 0.00 174.62 175.14 2ja6 n TYR 124 N 5.36 0.00 -2.61 4.92 9.36 -0.86 -4.75 117.16 128.57 2ja6 n TYR 124 Ca 0.01 -0.47 0.00 0.00 3.32 0.00 0.00 57.90 60.76 2ja6 n TYR 124 Cb 0.49 -0.72 0.00 0.00 -0.63 0.00 0.00 39.34 38.48 2ja6 n TYR 124 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2ja6 n SER 125 N 8.46 0.83 -3.66 2.98 3.41 -1.26 -1.37 113.62 123.01 2ja6 n SER 125 Ca 0.42 -0.20 -0.06 0.00 -0.26 0.00 0.00 58.87 58.77 2ja6 n SER 125 Cb 0.39 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2ja6 n SER 125 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ja6 s SER 126 N -0.34 -0.29 0.29 4.04 1.04 -1.08 -3.57 113.70 113.80 2ja6 s SER 126 Ca 0.00 -0.28 -0.27 0.00 0.48 0.00 0.00 55.95 55.87 2ja6 s SER 126 Cb 0.00 0.52 -0.10 0.00 0.10 0.00 0.00 66.02 66.54 2ja6 s SER 126 CO 0.00 -0.91 0.95 -0.83 0.98 0.00 0.00 173.24 173.43 2ja6 s GLY 127 N -2.79 2.92 -0.28 7.32 0.00 -1.25 -0.84 107.32 112.41 2ja6 s GLY 127 Ca 0.09 0.58 -0.03 0.00 0.00 0.00 0.00 44.72 45.36 2ja6 s GLY 127 CO -0.02 1.07 -0.01 1.08 0.00 0.00 0.00 173.10 175.22 2ja6 s LEU 128 N -1.75 3.57 -0.04 0.66 1.02 0.76 -2.28 118.68 120.63 2ja6 s LEU 128 Ca 0.47 -0.98 0.07 0.00 0.02 0.00 0.00 54.13 53.71 2ja6 s LEU 128 Cb -0.22 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.25 2ja6 s LEU 128 CO 0.27 -0.19 -0.25 -0.36 0.02 0.00 0.00 176.35 175.85 2ja6 s PHE 129 N 1.34 2.31 -0.04 0.29 2.99 -0.34 0.39 117.98 124.90 2ja6 s PHE 129 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 56.93 56.32 2ja6 s PHE 129 Cb -0.18 -1.50 0.03 0.00 0.00 0.00 0.00 43.02 41.37 2ja6 s PHE 129 CO -0.02 -0.14 0.09 0.08 -0.00 0.00 0.00 175.22 175.23 2ja6 s VAL 130 N -0.34 -0.04 -0.42 -0.44 1.01 -0.75 0.31 120.40 119.73 2ja6 s VAL 130 Ca 0.02 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 2ja6 s VAL 130 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 2ja6 s VAL 130 CO 0.02 0.06 1.68 -1.81 0.00 0.00 0.00 175.10 175.05 2ja6 s ASP 131 N 0.90 5.91 0.25 3.32 1.01 -0.58 -3.11 116.67 124.37 2ja6 s ASP 131 Ca -0.07 0.93 -0.06 0.00 0.71 0.00 0.00 52.55 54.05 2ja6 s ASP 131 Cb -0.10 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 2ja6 s ASP 131 CO -0.04 -1.76 0.53 -0.69 0.21 0.00 0.00 175.17 173.42 2ja6 s VAL 132 N 6.85 5.02 -0.40 -1.27 1.01 -1.26 0.45 120.40 130.79 2ja6 s VAL 132 Ca 0.71 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.94 2ja6 s VAL 132 Cb -0.17 -3.69 0.42 0.00 0.00 0.00 0.00 36.38 32.94 2ja6 s VAL 132 CO 0.30 -0.21 0.99 0.29 0.00 0.00 0.00 175.10 176.47 2ja6 n LYS 133 N -0.61 2.25 0.00 2.72 5.02 -0.48 -4.94 118.16 122.12 2ja6 n LYS 133 Ca -0.01 -3.93 0.00 0.00 -2.02 0.00 0.00 58.31 52.35 2ja6 n LYS 133 Cb 0.53 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2ja6 n LYS 133 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2ja6 n LYS 164 N -0.21 0.00 -5.09 1.97 4.81 -1.26 -3.14 118.16 115.23 2ja6 n LYS 164 Ca 0.25 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.37 2ja6 n LYS 164 Cb 0.70 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.60 2ja6 n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2ja6 s VAL 165 N -0.27 2.51 -0.02 3.15 1.01 -1.18 -4.95 120.40 120.65 2ja6 s VAL 165 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2ja6 s VAL 165 Cb 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2ja6 s VAL 165 CO 0.00 0.58 1.29 0.12 0.00 0.00 0.00 175.10 177.09 2ja6 s PHE 166 N -0.42 3.06 -0.46 5.22 5.36 -1.26 -1.80 117.98 127.67 2ja6 s PHE 166 Ca 0.04 1.04 0.07 0.00 -0.96 0.00 0.00 56.93 57.13 2ja6 s PHE 166 Cb -0.12 -3.54 0.25 0.00 -0.34 0.00 0.00 43.02 39.28 2ja6 s PHE 166 CO 0.02 -1.85 0.59 -0.89 -1.46 0.00 0.00 175.22 171.63 2ja6 n ILE 167 N 4.57 0.20 -0.88 3.12 5.41 1.25 -4.73 119.36 128.29 2ja6 n ILE 167 Ca 0.12 -4.37 0.05 0.00 1.00 0.00 0.00 62.75 59.54 2ja6 n ILE 167 Cb 0.45 -1.97 -0.01 0.00 -0.71 0.00 0.00 39.64 37.40 2ja6 n ILE 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ja6 n GLY 168 N 1.22 -2.12 3.05 7.39 0.00 -1.15 -4.36 105.19 109.22 2ja6 n GLY 168 Ca 0.24 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 2ja6 n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ja6 s ARG 169 N -1.17 2.09 -0.41 1.61 0.52 -1.25 -0.17 118.95 120.17 2ja6 s ARG 169 Ca 0.00 -0.53 -0.15 0.00 -0.52 0.00 0.00 55.73 54.53 2ja6 s ARG 169 Cb 0.00 -1.76 0.02 0.00 0.52 0.00 0.00 34.95 33.73 2ja6 s ARG 169 CO 0.00 -0.03 0.31 -1.17 0.02 0.00 0.00 175.30 174.43 2ja6 s LEU 170 N 0.88 5.09 -0.11 2.53 2.96 -0.02 -4.28 118.68 125.74 2ja6 s LEU 170 Ca -0.09 -0.88 -0.32 0.00 -0.22 0.00 0.00 54.13 52.62 2ja6 s LEU 170 Cb -0.15 -2.17 -0.09 0.00 0.50 0.00 0.00 46.19 44.27 2ja6 s LEU 170 CO 0.00 -0.46 2.02 -0.81 -1.32 0.00 0.00 176.35 175.79 2ja6 n PRO 171 N 5.19 2.21 -2.00 0.98 -0.04 -1.26 -2.64 135.00 137.44 2ja6 n PRO 171 Ca -0.11 0.76 -0.30 0.00 -0.04 0.00 0.00 63.50 63.81 2ja6 n PRO 171 Cb 0.47 -2.87 0.03 0.00 -0.04 0.00 0.00 33.50 31.09 2ja6 n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ja6 s ILE 172 N 5.52 4.00 -0.16 0.52 1.01 -0.47 -4.93 121.20 126.70 2ja6 s ILE 172 Ca 0.95 0.53 -0.08 0.00 0.00 0.00 0.00 60.65 62.05 2ja6 s ILE 172 Cb -0.56 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2ja6 s ILE 172 CO 0.45 -0.79 0.12 -0.32 0.00 0.00 0.00 174.94 174.40 2ja6 s MET 173 N -5.21 3.77 0.52 2.79 -2.45 -1.26 -4.53 119.30 112.92 2ja6 s MET 173 Ca 0.56 -0.20 -0.23 0.00 -1.25 0.00 0.00 55.69 54.57 2ja6 s MET 173 Cb -0.11 -3.26 -0.06 0.00 1.25 0.00 0.00 34.83 32.65 2ja6 s MET 173 CO 0.51 0.53 1.39 -0.51 1.05 0.00 0.00 175.02 177.99 2ja6 s LEU 174 N -0.32 3.93 -1.52 4.11 1.02 0.09 -2.49 118.68 123.50 2ja6 s LEU 174 Ca 0.11 2.83 0.00 0.00 0.02 0.00 0.00 54.13 57.09 2ja6 s LEU 174 Cb -0.12 -4.16 0.00 0.00 0.02 0.00 0.00 46.19 41.93 2ja6 s LEU 174 CO 0.01 -1.46 0.00 -1.14 0.02 0.00 0.00 176.35 173.78 2ja6 n ARG 175 N -0.76 -0.99 -0.72 1.70 3.00 -1.26 -1.80 116.66 115.82 2ja6 n ARG 175 Ca 0.09 1.00 -0.01 0.00 -0.00 0.00 0.00 57.85 58.93 2ja6 n ARG 175 Cb 0.44 -5.11 0.01 0.00 0.00 0.00 0.00 32.46 27.79 2ja6 n ARG 175 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2ja6 n SER 176 N -0.31 0.06 -0.08 6.15 3.41 -1.04 -4.73 113.62 117.08 2ja6 n SER 176 Ca -0.14 -1.05 -0.05 0.00 -0.26 0.00 0.00 58.87 57.37 2ja6 n SER 176 Cb 0.47 -0.03 0.16 0.00 -0.26 0.00 0.00 64.21 64.55 2ja6 n SER 176 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2ja6 h LYS 177 N 0.00 0.74 -0.09 4.33 1.57 -1.94 -2.88 116.57 118.29 2ja6 h LYS 177 Ca -0.01 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2ja6 h LYS 177 Cb 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2ja6 h LYS 177 CO 0.02 0.80 0.00 0.09 -0.57 0.00 0.00 179.45 179.79 2ja6 n ASN 178 N -4.18 0.84 -4.54 0.86 4.13 -1.26 -4.78 115.26 106.33 2ja6 n ASN 178 Ca 0.02 -1.59 -0.40 0.00 1.68 0.00 0.00 54.58 54.28 2ja6 n ASN 178 Cb 0.34 -0.06 -0.10 0.00 -1.54 0.00 0.00 39.78 38.42 2ja6 n ASN 178 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ja6 n TYR 180 N 5.23 0.25 -0.02 0.00 4.02 -1.26 0.54 117.16 125.92 2ja6 n TYR 180 Ca -0.11 0.25 -0.00 0.00 -0.01 0.00 0.00 57.90 58.03 2ja6 n TYR 180 Cb 0.50 -0.66 0.28 0.00 -0.02 0.00 0.00 39.34 39.44 2ja6 n TYR 180 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2ja6 h LEU 181 N 0.00 0.54 -0.74 7.72 3.38 -1.91 -3.08 115.31 121.21 2ja6 h LEU 181 Ca 0.74 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.77 2ja6 h LEU 181 Cb 2.74 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 43.21 2ja6 h LEU 181 CO -0.17 0.59 -0.16 0.77 0.09 0.00 0.00 178.44 179.56 2ja6 h SER 182 N 0.55 -0.64 0.04 -0.43 4.64 -0.10 -2.71 113.55 114.90 2ja6 h SER 182 Ca 0.12 0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2ja6 h SER 182 Cb 0.31 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2ja6 h SER 182 CO 0.01 -0.24 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.38 2ja6 h GLU 183 N 0.01 -0.05 -5.47 4.77 5.08 -1.73 -3.47 114.58 113.72 2ja6 h GLU 183 Ca 0.36 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.23 2ja6 h GLU 183 Cb 0.57 0.01 0.22 0.00 0.50 0.00 0.00 28.75 30.05 2ja6 h GLU 183 CO -0.75 0.62 -1.73 0.00 -1.00 0.00 0.00 179.01 176.15 2ja6 n ALA 184 N -2.54 -5.25 -2.60 3.43 0.00 -1.02 -5.02 120.51 107.50 2ja6 n ALA 184 Ca -0.08 -0.65 -0.28 0.00 0.00 0.00 0.00 53.44 52.42 2ja6 n ALA 184 Cb 0.34 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 2ja6 n ALA 184 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ja6 s THR 185 N -1.82 0.84 0.00 0.00 -4.23 -1.26 -4.93 115.64 104.23 2ja6 s THR 185 Ca 0.36 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 2ja6 s THR 185 Cb -0.16 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2ja6 s THR 185 CO 0.75 0.00 0.13 1.21 -0.54 0.00 0.00 174.62 176.18 2ja6 n GLU 186 N -1.03 0.00 -0.34 3.99 4.07 -1.26 -0.73 120.64 125.34 2ja6 n GLU 186 Ca -0.11 0.13 -0.08 0.00 -0.06 0.00 0.00 57.16 57.05 2ja6 n GLU 186 Cb 0.66 -0.40 -0.05 0.00 -0.06 0.00 0.00 31.44 31.58 2ja6 n GLU 186 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2ja6 h SER 187 N 0.00 -1.83 -0.73 4.31 4.64 -2.02 -1.54 113.55 116.39 2ja6 h SER 187 Ca 0.00 0.30 0.08 0.00 -0.47 0.00 0.00 61.79 61.70 2ja6 h SER 187 Cb 0.00 0.84 -0.10 0.00 -0.31 0.00 0.00 62.40 62.83 2ja6 h SER 187 CO 0.00 -0.28 -0.38 0.47 -0.87 0.00 0.00 176.83 175.77 2ja6 n ASP 188 N -5.35 -0.66 0.06 4.97 8.00 -0.42 -2.31 116.55 120.83 2ja6 n ASP 188 Ca 0.04 1.28 -0.04 0.00 0.71 0.00 0.00 54.79 56.78 2ja6 n ASP 188 Cb 0.32 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 2ja6 n ASP 188 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ja6 h LEU 189 N 0.00 -0.28 -0.60 0.64 3.38 0.15 -2.88 115.31 115.72 2ja6 h LEU 189 Ca 0.17 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.36 2ja6 h LEU 189 Cb 0.35 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 2ja6 h LEU 189 CO -0.70 -0.14 0.16 -1.22 0.09 0.00 0.00 178.44 176.63 2ja6 n TYR 190 N -2.91 0.53 1.02 1.13 4.02 -0.98 0.60 117.16 120.56 2ja6 n TYR 190 Ca -0.02 0.72 0.08 0.00 -0.01 0.00 0.00 57.90 58.66 2ja6 n TYR 190 Cb 0.09 -1.04 0.48 0.00 -0.02 0.00 0.00 39.34 38.85 2ja6 n TYR 190 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ja6 n LYS 191 N -4.58 0.51 0.00 -0.72 5.02 -1.09 -0.38 118.16 116.93 2ja6 n LYS 191 Ca 0.18 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 2ja6 n LYS 191 Cb 0.61 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 2ja6 n LYS 191 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ja6 n LEU 192 N -1.00 0.51 0.00 -0.35 4.77 2.51 -4.98 117.00 118.47 2ja6 n LEU 192 Ca 0.12 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2ja6 n LEU 192 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2ja6 n LEU 192 CO 0.09 0.13 0.00 0.29 -1.33 0.00 0.00 177.39 176.57 2ja6 n LYS 193 N -1.25 0.00 -2.19 3.23 5.02 0.49 -4.71 118.16 118.75 2ja6 n LYS 193 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 2ja6 n LYS 193 Cb 0.17 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 2ja6 n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ja6 s GLU 194 N -0.03 4.33 0.22 1.97 0.41 -1.26 -4.77 118.70 119.58 2ja6 s GLU 194 Ca 0.00 2.05 -0.30 0.00 -0.41 0.00 0.00 54.97 56.31 2ja6 s GLU 194 Cb 0.00 -3.25 -0.09 0.00 -1.78 0.00 0.00 34.13 29.00 2ja6 s GLU 194 CO 0.00 -0.41 1.37 0.00 -0.49 0.00 0.00 175.26 175.73 2ja6 h PRO 196 N 5.23 0.88 -0.03 0.00 0.13 -1.92 -2.37 132.00 133.91 2ja6 h PRO 196 Ca -0.45 -0.17 0.01 0.00 -0.87 0.00 0.00 66.00 64.52 2ja6 h PRO 196 Cb 1.22 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ja6 h PRO 196 CO 0.78 0.77 0.04 0.74 -0.23 0.00 0.00 178.00 180.09 2ja6 h PHE 197 N 0.82 0.00 -3.09 1.56 -1.00 -2.01 -3.43 116.94 109.79 2ja6 h PHE 197 Ca 0.19 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.40 2ja6 h PHE 197 Cb 0.22 0.00 0.11 0.00 3.61 0.00 0.00 35.95 39.89 2ja6 h PHE 197 CO 0.01 0.00 0.37 -3.47 -1.61 0.00 0.00 178.31 173.62 2ja6 n ASP 198 N -3.73 2.22 -0.37 2.17 2.03 -0.90 -4.90 116.55 113.08 2ja6 n ASP 198 Ca -0.02 1.18 0.05 0.00 0.52 0.00 0.00 54.79 56.51 2ja6 n ASP 198 Cb 0.13 -1.42 0.03 0.00 -0.72 0.00 0.00 41.12 39.14 2ja6 n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2ja6 n MET 199 N 0.51 0.69 0.00 -0.67 0.00 -1.26 -5.02 117.12 111.37 2ja6 n MET 199 Ca 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 57.70 56.76 2ja6 n MET 199 Cb 0.36 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 32.41 2ja6 n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ja6 n GLY 200 N 0.61 0.95 0.31 3.17 0.00 -1.26 -4.87 105.19 104.10 2ja6 n GLY 200 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2ja6 n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ja6 n GLY 201 N 0.00 0.67 3.52 -0.02 0.00 -0.74 -4.99 105.19 103.62 2ja6 n GLY 201 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2ja6 n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ja6 s TYR 202 N -2.16 2.13 0.45 1.61 -0.85 -1.26 -4.82 117.35 112.45 2ja6 s TYR 202 Ca 0.00 -0.88 0.07 0.00 -0.52 0.00 0.00 57.07 55.74 2ja6 s TYR 202 Cb 0.00 -1.45 -0.00 0.00 0.38 0.00 0.00 41.96 40.89 2ja6 s TYR 202 CO 0.00 0.14 0.42 -0.06 -1.52 0.00 0.00 175.55 174.53 2ja6 s PHE 203 N -3.09 2.42 -0.40 -3.49 0.40 -0.39 -0.73 117.98 112.69 2ja6 s PHE 203 Ca 0.34 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2ja6 s PHE 203 Cb 0.09 -2.14 0.14 0.00 0.51 0.00 0.00 43.02 41.61 2ja6 s PHE 203 CO 0.16 -0.28 0.23 0.42 0.70 0.00 0.00 175.22 176.44 2ja6 s ILE 204 N -2.54 0.76 -0.15 0.64 1.01 -1.26 -1.47 121.20 118.19 2ja6 s ILE 204 Ca 0.47 -2.14 -0.09 0.00 0.00 0.00 0.00 60.65 58.89 2ja6 s ILE 204 Cb -0.03 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2ja6 s ILE 204 CO 0.28 -0.95 0.15 -0.63 0.00 0.00 0.00 174.94 173.79 2ja6 s ILE 205 N 0.70 5.45 -0.48 2.92 1.09 -0.80 -2.02 121.20 128.05 2ja6 s ILE 205 Ca 0.18 0.23 -0.05 0.00 -1.10 0.00 0.00 60.65 59.91 2ja6 s ILE 205 Cb -0.23 -3.45 0.01 0.00 -1.06 0.00 0.00 42.46 37.73 2ja6 s ILE 205 CO 0.00 0.53 0.10 0.59 -0.10 0.00 0.00 174.94 176.07 2ja6 n ASN 206 N 2.69 -0.42 0.00 3.58 3.02 0.16 -2.26 115.26 122.03 2ja6 n ASN 206 Ca -0.18 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 2ja6 n ASN 206 Cb 0.54 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2ja6 n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ja6 n GLY 207 N -1.45 2.00 3.67 7.41 0.00 -0.35 -4.68 105.19 111.80 2ja6 n GLY 207 Ca -0.08 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 2ja6 n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ja6 s SER 208 N -1.54 2.81 -0.40 1.61 1.04 -0.96 -4.46 113.70 111.81 2ja6 s SER 208 Ca 0.00 1.40 -0.17 0.00 0.48 0.00 0.00 55.95 57.66 2ja6 s SER 208 Cb 0.00 -2.07 0.01 0.00 0.10 0.00 0.00 66.02 64.06 2ja6 s SER 208 CO 0.00 -3.04 0.43 -1.61 0.98 0.00 0.00 173.24 169.99 2ja6 s GLU 209 N -4.88 3.26 -0.14 4.02 2.02 -1.26 -1.91 118.70 119.80 2ja6 s GLU 209 Ca 0.65 -0.62 -0.04 0.00 0.02 0.00 0.00 54.97 54.97 2ja6 s GLU 209 Cb -0.19 -3.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.09 2ja6 s GLU 209 CO 0.58 -0.76 0.01 0.15 0.02 0.00 0.00 175.26 175.27 2ja6 s LYS 210 N 2.13 3.56 -0.21 1.61 -0.14 -0.54 -1.32 119.74 124.83 2ja6 s LYS 210 Ca 0.13 -0.41 -0.05 0.00 -1.36 0.00 0.00 55.97 54.27 2ja6 s LYS 210 Cb -0.17 -2.98 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 2ja6 s LYS 210 CO 0.13 0.41 0.01 0.08 -0.76 0.00 0.00 175.35 175.22 2ja6 s VAL 211 N -0.06 4.02 0.16 3.17 1.01 -0.66 -1.27 120.40 126.77 2ja6 s VAL 211 Ca 0.04 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2ja6 s VAL 211 Cb -0.13 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 2ja6 s VAL 211 CO 0.02 0.42 1.02 -0.76 0.00 0.00 0.00 175.10 175.80 2ja6 s LEU 212 N 1.06 4.52 -0.04 3.92 1.43 -1.26 -1.48 118.68 126.83 2ja6 s LEU 212 Ca 0.02 1.95 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 2ja6 s LEU 212 Cb -0.14 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 2ja6 s LEU 212 CO 0.02 -0.10 -0.08 -0.63 0.23 0.00 0.00 176.35 175.78 2ja6 s ILE 213 N -0.29 3.60 -0.03 -0.59 -1.09 -1.26 -4.75 121.20 116.79 2ja6 s ILE 213 Ca 0.47 -0.60 -0.39 0.00 -2.23 0.00 0.00 60.65 57.90 2ja6 s ILE 213 Cb -0.26 -2.49 -0.19 0.00 -1.58 0.00 0.00 42.46 37.93 2ja6 s ILE 213 CO 0.33 0.54 1.06 0.00 -1.23 0.00 0.00 174.94 175.64 2ja6 n ALA 214 N 2.04 -3.39 -3.53 9.38 0.00 -0.84 -4.78 120.51 119.39 2ja6 n ALA 214 Ca -0.17 0.57 -0.28 0.00 0.00 0.00 0.00 53.44 53.56 2ja6 n ALA 214 Cb 0.53 -1.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.19 2ja6 n ALA 214 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ja6 n GLN 215 N 1.60 2.46 -1.35 0.00 1.13 -0.88 -0.10 117.38 120.25 2ja6 n GLN 215 Ca 0.20 -4.62 -0.39 0.00 -1.94 0.00 0.00 57.00 50.24 2ja6 n GLN 215 Cb 0.07 -2.28 0.02 0.00 0.11 0.00 0.00 30.24 28.15 2ja6 n GLN 215 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2ja6 n GLU 216 N 1.19 0.23 -3.56 -1.09 2.13 -0.86 -3.72 120.64 114.96 2ja6 n GLU 216 Ca 0.27 0.09 -0.09 0.00 0.66 0.00 0.00 57.16 58.09 2ja6 n GLU 216 Cb 0.39 -1.28 -0.04 0.00 0.27 0.00 0.00 31.44 30.78 2ja6 n GLU 216 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2ja6 s ARG 217 N -1.41 0.60 0.09 5.31 1.04 -1.02 -4.50 118.95 119.06 2ja6 s ARG 217 Ca 0.62 -0.02 -0.31 0.00 -1.04 0.00 0.00 55.73 54.98 2ja6 s ARG 217 Cb -0.51 0.28 -0.08 0.00 -2.04 0.00 0.00 34.95 32.60 2ja6 s ARG 217 CO 0.61 -0.22 1.50 0.45 -0.04 0.00 0.00 175.30 177.60 2ja6 s SER 218 N -1.62 6.72 1.05 -2.89 0.15 -1.26 -1.00 113.70 114.85 2ja6 s SER 218 Ca 0.02 2.38 -0.16 0.00 0.70 0.00 0.00 55.95 58.90 2ja6 s SER 218 Cb -0.01 -2.58 0.09 0.00 -1.71 0.00 0.00 66.02 61.82 2ja6 s SER 218 CO -0.03 -0.77 0.28 0.00 1.20 0.00 0.00 173.24 173.93 2ja6 n ALA 219 N 4.72 -3.33 -2.69 5.45 0.00 0.11 -4.79 120.51 119.98 2ja6 n ALA 219 Ca 0.13 -0.99 -0.31 0.00 0.00 0.00 0.00 53.44 52.28 2ja6 n ALA 219 Cb 0.41 -1.69 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 2ja6 n ALA 219 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ja6 s GLY 220 N -1.98 2.82 -1.30 0.00 0.00 -1.26 -4.78 107.32 100.81 2ja6 s GLY 220 Ca 0.58 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.27 2ja6 s GLY 220 CO 0.66 -2.14 0.69 0.70 0.00 0.00 0.00 173.10 173.01 2ja6 n ASN 221 N -1.22 -1.29 -3.93 1.64 3.02 1.44 -4.90 115.26 110.02 2ja6 n ASN 221 Ca -0.14 -0.84 -0.10 0.00 -0.03 0.00 0.00 54.58 53.48 2ja6 n ASN 221 Cb 0.67 -3.99 -0.12 0.00 -0.61 0.00 0.00 39.78 35.72 2ja6 n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2ja6 s ILE 222 N -3.68 0.06 -0.21 2.41 1.01 -1.26 -4.51 121.20 115.02 2ja6 s ILE 222 Ca 0.02 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 2ja6 s ILE 222 Cb -0.01 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 2ja6 s ILE 222 CO 0.82 -0.27 0.48 0.68 0.00 0.00 0.00 174.94 176.64 2ja6 s VAL 223 N -0.79 5.13 0.05 2.92 -7.23 -1.25 -3.67 120.40 115.55 2ja6 s VAL 223 Ca -0.09 0.85 0.01 0.00 -1.81 0.00 0.00 61.98 60.94 2ja6 s VAL 223 Cb -0.05 -3.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 2ja6 s VAL 223 CO -0.01 0.18 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.81 2ja6 s GLN 224 N 1.68 0.53 -0.03 4.82 -0.21 -0.14 -4.95 119.66 121.37 2ja6 s GLN 224 Ca 0.22 -0.90 0.06 0.00 0.02 0.00 0.00 55.36 54.75 2ja6 s GLN 224 Cb -0.15 -0.06 -0.01 0.00 1.00 0.00 0.00 33.01 33.79 2ja6 s GLN 224 CO 0.09 -0.02 -0.20 0.14 -2.12 0.00 0.00 175.29 173.18 2ja6 s VAL 225 N -2.29 1.62 -0.02 1.09 -7.23 -1.26 0.74 120.40 113.05 2ja6 s VAL 225 Ca -0.05 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.28 2ja6 s VAL 225 Cb -0.04 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.54 2ja6 s VAL 225 CO -0.03 0.46 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.80 2ja6 s PHE 226 N -0.30 0.66 0.29 2.82 2.99 -0.30 -1.15 117.98 122.99 2ja6 s PHE 226 Ca 0.03 -0.15 -0.27 0.00 0.00 0.00 0.00 56.93 56.55 2ja6 s PHE 226 Cb -0.10 -0.50 -0.10 0.00 0.00 0.00 0.00 43.02 42.33 2ja6 s PHE 226 CO 0.01 -0.08 0.93 0.15 -0.00 0.00 0.00 175.22 176.23 2ja6 s LYS 227 N 0.24 4.66 0.12 0.44 1.02 -1.26 -2.67 119.74 122.29 2ja6 s LYS 227 Ca -0.03 1.36 0.04 0.00 0.02 0.00 0.00 55.97 57.36 2ja6 s LYS 227 Cb -0.07 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 2ja6 s LYS 227 CO -0.00 0.36 0.13 0.15 -0.92 0.00 0.00 175.35 175.08 2ja6 s LYS 228 N -1.76 2.98 1.05 1.68 -0.14 -0.91 -5.02 119.74 117.64 2ja6 s LYS 228 Ca 0.47 -0.75 -0.16 0.00 -1.36 0.00 0.00 55.97 54.17 2ja6 s LYS 228 Cb -0.21 -2.73 0.09 0.00 -1.68 0.00 0.00 37.83 33.30 2ja6 s LYS 228 CO 0.26 0.53 0.25 0.00 -0.76 0.00 0.00 175.35 175.63 2ja6 n ALA 229 N -0.03 -3.41 -0.24 5.17 0.00 -1.26 -4.90 120.51 115.85 2ja6 n ALA 229 Ca -0.08 -1.01 0.06 0.00 0.00 0.00 0.00 53.44 52.41 2ja6 n ALA 229 Cb 0.53 -1.67 0.31 0.00 0.00 0.00 0.00 19.45 18.62 2ja6 n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja6 h ALA 230 N -1.91 1.64 -1.66 0.00 0.00 -1.98 -3.36 119.26 111.98 2ja6 h ALA 230 Ca -0.50 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 53.74 2ja6 h ALA 230 Cb 1.33 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 2ja6 h ALA 230 CO 0.38 0.22 0.92 -1.25 0.00 0.00 0.00 179.25 179.51 2ja6 s PRO 231 N -5.76 3.46 0.00 0.00 0.04 -1.26 -4.92 135.00 126.56 2ja6 s PRO 231 Ca -0.10 -1.32 0.00 0.00 0.04 0.00 0.00 61.00 59.61 2ja6 s PRO 231 Cb 0.20 -4.81 0.00 0.00 0.04 0.00 0.00 34.50 29.93 2ja6 s PRO 231 CO 0.78 -1.90 0.00 0.45 0.04 0.00 0.00 177.00 176.38 2ja6 n SER 232 N 7.47 0.00 0.06 6.66 2.88 -1.26 -5.02 113.62 124.40 2ja6 n SER 232 Ca 0.18 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.74 2ja6 n SER 232 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 2ja6 n SER 232 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2ja6 h PRO 233 N 0.00 0.00 -5.99 -1.46 0.13 -1.93 -3.45 132.00 119.30 2ja6 h PRO 233 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 2ja6 h PRO 233 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2ja6 h PRO 233 CO 0.00 0.27 0.59 0.42 -0.23 0.00 0.00 178.00 179.05 2ja6 s ILE 234 N -2.99 4.67 -0.00 -3.56 1.09 -1.26 -1.46 121.20 117.69 2ja6 s ILE 234 Ca -0.02 1.42 -0.00 0.00 -1.10 0.00 0.00 60.65 60.95 2ja6 s ILE 234 Cb 0.09 -4.26 -0.00 0.00 -1.06 0.00 0.00 42.46 37.22 2ja6 s ILE 234 CO 0.80 -0.35 0.39 -1.28 -0.10 0.00 0.00 174.94 174.40 2ja6 h SER 235 N 8.10 -0.00 -3.07 3.58 0.87 -1.71 -3.42 113.55 117.90 2ja6 h SER 235 Ca -0.23 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 59.86 2ja6 h SER 235 Cb 1.08 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.90 2ja6 h SER 235 CO 0.95 -0.00 -0.66 -1.00 -0.53 0.00 0.00 176.83 175.59 2ja6 s HIS 236 N -1.78 1.92 0.01 2.24 3.76 -1.26 -2.13 115.29 118.06 2ja6 s HIS 236 Ca -0.00 -0.78 -0.20 0.00 -0.15 0.00 0.00 55.06 53.93 2ja6 s HIS 236 Cb 0.00 -1.14 0.04 0.00 1.11 0.00 0.00 32.58 32.59 2ja6 s HIS 236 CO 0.00 0.19 0.44 0.08 -0.85 0.00 0.00 174.74 174.60 2ja6 s VAL 237 N -3.11 0.04 -0.19 -0.90 1.01 -1.09 -3.17 120.40 112.99 2ja6 s VAL 237 Ca 0.31 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2ja6 s VAL 237 Cb 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2ja6 s VAL 237 CO 0.12 -0.20 -0.18 0.00 0.00 0.00 0.00 175.10 174.84 2ja6 s ALA 238 N -1.89 2.39 0.07 5.51 0.00 -0.92 -1.15 121.76 125.77 2ja6 s ALA 238 Ca -0.09 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.62 2ja6 s ALA 238 Cb -0.02 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2ja6 s ALA 238 CO 0.02 -0.47 0.03 -1.21 0.00 0.00 0.00 175.76 174.13 2ja6 s GLU 239 N 1.28 2.73 -0.15 0.00 2.02 0.23 -2.88 118.70 121.91 2ja6 s GLU 239 Ca 0.03 -0.73 -0.06 0.00 0.02 0.00 0.00 54.97 54.23 2ja6 s GLU 239 Cb -0.14 -2.64 0.07 0.00 0.10 0.00 0.00 34.13 31.52 2ja6 s GLU 239 CO -0.11 0.57 0.32 -1.50 0.02 0.00 0.00 175.26 174.56 2ja6 s ILE 240 N -1.30 -0.43 -0.61 -1.63 2.07 -1.21 -0.96 121.20 117.13 2ja6 s ILE 240 Ca 0.26 0.22 -0.20 0.00 -1.41 0.00 0.00 60.65 59.51 2ja6 s ILE 240 Cb -0.12 -0.52 0.09 0.00 0.13 0.00 0.00 42.46 42.04 2ja6 s ILE 240 CO 0.18 0.09 0.80 -0.13 -1.91 0.00 0.00 174.94 173.98 2ja6 s ARG 241 N 2.31 3.08 -0.11 3.50 0.52 -1.25 -2.65 118.95 124.36 2ja6 s ARG 241 Ca -0.01 -1.08 -0.20 0.00 -0.52 0.00 0.00 55.73 53.91 2ja6 s ARG 241 Cb -0.12 -4.24 -0.04 0.00 0.52 0.00 0.00 34.95 31.08 2ja6 s ARG 241 CO -0.10 -1.63 0.56 -1.54 0.02 0.00 0.00 175.30 172.62 2ja6 s SER 242 N 3.57 6.79 -0.21 0.23 1.04 -1.22 0.42 113.70 124.32 2ja6 s SER 242 Ca 0.16 0.94 -0.06 0.00 0.48 0.00 0.00 55.95 57.48 2ja6 s SER 242 Cb -0.21 -2.33 0.10 0.00 0.10 0.00 0.00 66.02 63.68 2ja6 s SER 242 CO 0.08 -0.06 0.42 0.00 0.98 0.00 0.00 173.24 174.66 2ja6 s ALA 243 N 0.78 -1.18 -0.43 5.32 0.00 -1.26 -3.41 121.76 121.58 2ja6 s ALA 243 Ca 0.30 1.40 -0.36 0.00 0.00 0.00 0.00 51.96 53.30 2ja6 s ALA 243 Cb -0.16 -1.42 -0.13 0.00 0.00 0.00 0.00 23.12 21.41 2ja6 s ALA 243 CO 0.13 -0.88 2.24 1.28 0.00 0.00 0.00 175.76 178.53 2ja6 n LEU 244 N 5.39 1.80 0.12 0.00 4.77 -1.25 -4.71 117.00 123.11 2ja6 n LEU 244 Ca -0.07 0.37 0.15 0.00 -0.03 0.00 0.00 56.01 56.43 2ja6 n LEU 244 Cb 0.50 -1.21 0.42 0.00 -2.33 0.00 0.00 43.42 40.80 2ja6 n LEU 244 CO 0.01 -0.79 1.14 -0.33 -1.33 0.00 0.00 177.39 176.09 2ja6 h GLU 245 N 12.36 0.00 -2.02 3.23 5.08 -1.98 -3.37 114.58 127.88 2ja6 h GLU 245 Ca -0.23 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2ja6 h GLU 245 Cb 1.33 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.37 2ja6 h GLU 245 CO 1.07 0.00 -0.02 0.15 -1.00 0.00 0.00 179.01 179.20 2ja6 s LYS 246 N -4.26 0.67 0.00 2.33 1.02 -1.26 -5.03 119.74 113.21 2ja6 s LYS 246 Ca -0.02 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.24 2ja6 s LYS 246 Cb 0.09 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.71 2ja6 s LYS 246 CO 0.29 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 2ja6 n GLY 247 N 4.59 1.50 4.80 -3.33 0.00 -1.26 -4.79 105.19 106.71 2ja6 n GLY 247 Ca -0.18 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2ja6 n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ja6 n SER 248 N 0.00 0.00 -3.49 1.61 2.88 -1.26 -4.27 113.62 109.09 2ja6 n SER 248 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 2ja6 n SER 248 Cb 0.00 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 2ja6 n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2ja6 n ARG 249 N -2.00 -0.69 -1.50 -1.46 1.74 -1.26 -4.86 116.66 106.63 2ja6 n ARG 249 Ca 0.00 0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.77 2ja6 n ARG 249 Cb 0.00 -0.80 0.09 0.00 -1.02 0.00 0.00 32.46 30.73 2ja6 n ARG 249 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2ja6 s PHE 250 N -3.38 1.99 -0.42 -1.55 2.99 -1.26 -4.81 117.98 111.54 2ja6 s PHE 250 Ca 0.11 1.57 0.09 0.00 0.00 0.00 0.00 56.93 58.70 2ja6 s PHE 250 Cb -0.06 -3.58 0.29 0.00 0.00 0.00 0.00 43.02 39.66 2ja6 s PHE 250 CO 0.43 -2.83 0.63 -0.89 -0.00 0.00 0.00 175.22 172.56 2ja6 n ILE 251 N -2.48 -0.02 -3.62 0.64 5.41 -1.26 -3.91 119.36 114.12 2ja6 n ILE 251 Ca 0.15 -4.40 -0.37 0.00 1.00 0.00 0.00 62.75 59.13 2ja6 n ILE 251 Cb 0.49 -1.42 -0.07 0.00 -0.71 0.00 0.00 39.64 37.93 2ja6 n ILE 251 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ja6 s SER 252 N -1.82 6.46 0.14 4.38 1.04 -1.22 -4.99 113.70 117.69 2ja6 s SER 252 Ca 0.38 0.55 -0.10 0.00 0.48 0.00 0.00 55.95 57.26 2ja6 s SER 252 Cb 0.23 -2.16 -0.06 0.00 0.10 0.00 0.00 66.02 64.13 2ja6 s SER 252 CO -0.09 0.21 0.46 -0.89 0.98 0.00 0.00 173.24 173.90 2ja6 s THR 253 N -0.11 5.03 -0.25 2.02 2.01 -1.26 -3.43 115.64 119.64 2ja6 s THR 253 Ca 0.16 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 2ja6 s THR 253 Cb -0.13 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.76 2ja6 s THR 253 CO 0.05 0.15 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.85 2ja6 s LEU 254 N -2.26 3.28 -0.18 4.42 2.96 -1.08 -4.62 118.68 121.20 2ja6 s LEU 254 Ca 0.39 -0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 2ja6 s LEU 254 Cb -0.13 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2ja6 s LEU 254 CO 0.20 -0.15 0.06 -1.10 -1.32 0.00 0.00 176.35 174.04 2ja6 s GLN 255 N 1.30 3.92 -0.43 1.98 -0.21 -1.21 -3.29 119.66 121.71 2ja6 s GLN 255 Ca -0.01 -0.34 0.03 0.00 0.02 0.00 0.00 55.36 55.06 2ja6 s GLN 255 Cb -0.17 -3.19 0.12 0.00 1.00 0.00 0.00 33.01 30.77 2ja6 s GLN 255 CO -0.04 0.31 0.18 0.08 -2.12 0.00 0.00 175.29 173.69 2ja6 s VAL 256 N 0.27 2.12 0.00 1.09 1.01 -1.14 0.28 120.40 124.03 2ja6 s VAL 256 Ca 0.03 -2.71 0.00 0.00 0.00 0.00 0.00 61.98 59.31 2ja6 s VAL 256 Cb -0.12 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2ja6 s VAL 256 CO 0.00 -0.74 0.00 0.29 0.00 0.00 0.00 175.10 174.65 2ja6 n LYS 257 N 3.70 2.83 0.00 2.72 5.02 0.21 -2.15 118.16 130.48 2ja6 n LYS 257 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2ja6 n LYS 257 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 2ja6 n LYS 257 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2ja6 n LEU 258 N 0.00 0.00 -4.00 -0.35 7.94 -1.19 -4.46 117.00 114.94 2ja6 n LEU 258 Ca 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.69 2ja6 n LEU 258 Cb 0.00 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.05 2ja6 n LEU 258 CO 0.00 0.00 -0.52 -1.22 -1.11 0.00 0.00 177.39 174.54 2ja6 n TYR 259 N 0.00 -1.75 -2.09 1.96 4.02 -0.85 -2.44 117.16 116.01 2ja6 n TYR 259 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 2ja6 n TYR 259 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 39.34 37.91 2ja6 n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ja6 n GLY 260 N 2.71 -5.30 2.38 2.72 0.00 -0.53 -4.30 105.19 102.86 2ja6 n GLY 260 Ca 0.02 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 2ja6 n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ja6 n ARG 261 N 1.50 -3.17 -1.67 1.61 5.12 -1.26 -4.52 116.66 114.27 2ja6 n ARG 261 Ca 0.00 -1.15 -0.28 0.00 -1.93 0.00 0.00 57.85 54.49 2ja6 n ARG 261 Cb 0.00 -1.23 -0.05 0.00 -1.16 0.00 0.00 32.46 30.02 2ja6 n ARG 261 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2ja6 s GLU 262 N -4.63 2.03 0.00 5.56 2.12 -1.26 -3.75 118.70 118.77 2ja6 s GLU 262 Ca 0.49 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.66 2ja6 s GLU 262 Cb -0.06 -4.67 0.00 0.00 0.26 0.00 0.00 34.13 29.65 2ja6 s GLU 262 CO 0.39 -3.62 0.00 0.41 -0.54 0.00 0.00 175.26 171.90 2ja6 n GLY 263 N 6.32 1.30 0.00 -1.50 0.00 -1.26 -5.12 105.19 104.93 2ja6 n GLY 263 Ca 0.38 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2ja6 n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ja6 n SER 264 N 0.00 0.00 -4.75 1.61 3.41 -1.25 -4.77 113.62 107.88 2ja6 n SER 264 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2ja6 n SER 264 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2ja6 n SER 264 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ja6 s SER 265 N 0.00 6.62 0.00 4.04 1.04 -1.26 -4.22 113.70 119.92 2ja6 s SER 265 Ca 0.00 2.70 0.00 0.00 0.48 0.00 0.00 55.95 59.13 2ja6 s SER 265 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2ja6 s SER 265 CO 0.00 -0.73 0.00 0.00 0.98 0.00 0.00 173.24 173.49 2ja6 n ALA 266 N 2.32 -0.15 -1.59 5.32 0.00 -1.26 -4.97 120.51 120.17 2ja6 n ALA 266 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 2ja6 n ALA 266 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 2ja6 n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ja6 n ARG 267 N -0.54 2.09 -2.44 0.00 1.74 -1.26 -4.61 116.66 111.64 2ja6 n ARG 267 Ca 0.00 -2.30 -0.37 0.00 -0.77 0.00 0.00 57.85 54.40 2ja6 n ARG 267 Cb 0.20 -3.20 -0.03 0.00 -1.02 0.00 0.00 32.46 28.41 2ja6 n ARG 267 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2ja6 s THR 268 N 5.20 3.49 -0.30 0.55 -1.32 -1.26 -4.67 115.64 117.33 2ja6 s THR 268 Ca 0.55 1.19 -0.09 0.00 -1.21 0.00 0.00 61.69 62.14 2ja6 s THR 268 Cb 0.11 -3.64 -0.01 0.00 -1.51 0.00 0.00 72.50 67.45 2ja6 s THR 268 CO 0.05 0.06 0.12 -0.63 -2.21 0.00 0.00 174.62 172.01 2ja6 s ILE 269 N -1.54 4.42 0.27 5.08 1.01 -1.26 -2.00 121.20 127.18 2ja6 s ILE 269 Ca 0.57 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.90 2ja6 s ILE 269 Cb -0.26 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 2ja6 s ILE 269 CO 0.32 0.12 -0.16 -0.54 0.00 0.00 0.00 174.94 174.69 2ja6 s LYS 270 N 1.59 1.61 0.02 2.79 1.02 -1.26 -2.72 119.74 122.78 2ja6 s LYS 270 Ca 0.05 -1.75 -0.02 0.00 0.02 0.00 0.00 55.97 54.26 2ja6 s LYS 270 Cb -0.17 -1.56 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 2ja6 s LYS 270 CO 0.05 0.24 0.01 0.00 -0.92 0.00 0.00 175.35 174.73 2ja6 s ALA 271 N -2.67 0.05 -0.13 5.17 0.00 0.20 0.65 121.76 125.03 2ja6 s ALA 271 Ca 0.29 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 2ja6 s ALA 271 Cb -0.02 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2ja6 s ALA 271 CO 0.13 -0.19 0.02 0.99 0.00 0.00 0.00 175.76 176.71 2ja6 s THR 272 N -1.65 4.47 -0.03 0.00 2.01 0.14 -1.22 115.64 119.36 2ja6 s THR 272 Ca -0.14 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 61.76 2ja6 s THR 272 Cb -0.08 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 2ja6 s THR 272 CO -0.01 0.55 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.45 2ja6 s LEU 273 N -0.35 2.05 0.13 4.42 1.43 -1.26 -3.32 118.68 121.78 2ja6 s LEU 273 Ca 0.08 -0.48 -0.35 0.00 -1.03 0.00 0.00 54.13 52.35 2ja6 s LEU 273 Cb -0.12 -1.33 -0.16 0.00 0.03 0.00 0.00 46.19 44.61 2ja6 s LEU 273 CO 0.02 0.29 1.36 -0.81 0.23 0.00 0.00 176.35 177.44 2ja6 n PRO 274 N 2.62 1.41 -1.32 1.29 -0.04 -1.26 -1.67 135.00 136.02 2ja6 n PRO 274 Ca -0.16 0.51 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2ja6 n PRO 274 Cb 0.51 -2.15 -0.02 0.00 -0.04 0.00 0.00 33.50 31.81 2ja6 n PRO 274 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ja6 n TYR 275 N 2.47 -0.05 -3.91 0.54 4.02 -1.26 -4.99 117.16 113.99 2ja6 n TYR 275 Ca 0.17 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.75 2ja6 n TYR 275 Cb 0.23 -1.40 -0.15 0.00 -0.02 0.00 0.00 39.34 37.99 2ja6 n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2ja6 s ILE 276 N -2.23 1.71 0.45 -0.72 1.01 -0.67 -4.37 121.20 116.38 2ja6 s ILE 276 Ca 0.00 -1.91 0.27 0.00 0.00 0.00 0.00 60.65 59.01 2ja6 s ILE 276 Cb 0.00 -2.24 0.46 0.00 0.01 0.00 0.00 42.46 40.69 2ja6 s ILE 276 CO 0.00 -0.58 1.75 0.11 0.00 0.00 0.00 174.94 176.21 2ja6 h LYS 277 N 7.81 0.21 0.00 2.79 1.57 -1.83 -3.43 116.57 123.70 2ja6 h LYS 277 Ca -0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2ja6 h LYS 277 Cb 1.02 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2ja6 h LYS 277 CO 0.49 0.14 0.00 0.94 -0.57 0.00 0.00 179.45 180.45 2ja6 n GLN 278 N -4.49 1.99 -3.48 3.15 7.27 -1.26 -5.14 117.38 115.42 2ja6 n GLN 278 Ca 0.28 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.12 2ja6 n GLN 278 Cb 1.11 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.80 2ja6 n GLN 278 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2ja6 n ASP 279 N -1.47 2.50 -3.73 1.69 8.00 -1.26 -4.65 116.55 117.63 2ja6 n ASP 279 Ca 0.00 -2.77 -0.12 0.00 0.71 0.00 0.00 54.79 52.61 2ja6 n ASP 279 Cb 0.00 -0.23 -0.12 0.00 -0.02 0.00 0.00 41.12 40.75 2ja6 n ASP 279 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ja6 s ILE 280 N -2.76 -0.02 -0.09 0.53 1.01 -0.36 -4.95 121.20 114.56 2ja6 s ILE 280 Ca 0.47 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 2ja6 s ILE 280 Cb -0.04 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 2ja6 s ILE 280 CO 0.30 0.03 1.30 -2.16 0.00 0.00 0.00 174.94 174.41 2ja6 s PRO 281 N 0.90 4.27 0.26 2.79 0.04 -1.26 0.61 135.00 142.62 2ja6 s PRO 281 Ca -0.06 1.77 0.21 0.00 0.04 0.00 0.00 61.00 62.96 2ja6 s PRO 281 Cb -0.07 -3.69 0.86 0.00 0.04 0.00 0.00 34.50 31.65 2ja6 s PRO 281 CO -0.06 -0.62 0.86 0.44 0.04 0.00 0.00 177.00 177.66 2ja6 n ILE 282 N 5.02 -0.10 0.00 0.56 -5.35 -1.10 -1.31 119.36 117.08 2ja6 n ILE 282 Ca 0.13 0.94 0.00 0.00 -0.27 0.00 0.00 62.75 63.55 2ja6 n ILE 282 Cb 0.45 -1.54 0.00 0.00 -1.74 0.00 0.00 39.64 36.80 2ja6 n ILE 282 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2ja6 n VAL 283 N -3.54 0.00 -0.24 7.28 0.31 -1.26 -0.60 118.33 120.27 2ja6 n VAL 283 Ca 0.23 0.96 0.10 0.00 -0.01 0.00 0.00 64.34 65.62 2ja6 n VAL 283 Cb 0.94 -1.74 0.20 0.00 -0.91 0.00 0.00 33.84 32.33 2ja6 n VAL 283 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2ja6 n ILE 284 N -0.66 -0.29 -0.08 2.52 5.41 -0.43 0.27 119.36 126.10 2ja6 n ILE 284 Ca 0.00 1.54 -0.07 0.00 1.00 0.00 0.00 62.75 65.22 2ja6 n ILE 284 Cb 0.00 -2.25 -0.00 0.00 -0.71 0.00 0.00 39.64 36.68 2ja6 n ILE 284 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2ja6 h ILE 285 N 0.00 0.91 -0.79 1.39 2.04 -1.51 0.96 117.51 120.51 2ja6 h ILE 285 Ca 0.42 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 66.30 2ja6 h ILE 285 Cb 0.86 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 2ja6 h ILE 285 CO -0.66 0.04 0.44 -0.26 0.00 0.00 0.00 178.15 177.71 2ja6 h PHE 286 N 0.22 0.80 -0.18 1.37 0.05 0.63 -0.56 116.94 119.27 2ja6 h PHE 286 Ca 0.13 0.03 -0.15 0.00 3.82 0.00 0.00 57.97 61.80 2ja6 h PHE 286 Cb 0.11 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 37.81 2ja6 h PHE 286 CO -0.14 0.32 -0.53 0.00 -0.18 0.00 0.00 178.31 177.78 2ja6 h ARG 287 N 0.74 0.53 0.00 1.51 3.08 -0.82 -1.46 114.38 117.96 2ja6 h ARG 287 Ca 0.39 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2ja6 h ARG 287 Cb 0.37 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2ja6 h ARG 287 CO -0.25 0.93 0.00 0.00 -1.07 0.00 0.00 179.97 179.57 2ja6 n ALA 288 N -2.51 1.66 0.38 0.04 0.00 0.28 -0.70 120.51 119.66 2ja6 n ALA 288 Ca -0.03 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2ja6 n ALA 288 Cb 0.59 -1.23 0.20 0.00 0.00 0.00 0.00 19.45 19.01 2ja6 n ALA 288 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ja6 n LEU 289 N -1.49 3.42 -0.50 0.00 4.77 -0.31 -4.81 117.00 118.08 2ja6 n LEU 289 Ca 0.04 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 2ja6 n LEU 289 Cb 0.16 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2ja6 n LEU 289 CO 0.13 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2ja6 n GLY 290 N 1.48 0.87 2.33 -0.72 0.00 0.12 -4.69 105.19 104.58 2ja6 n GLY 290 Ca 0.19 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 2ja6 n GLY 290 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ja6 n ILE 291 N -1.89 0.45 -0.31 -0.61 5.41 -0.74 -4.99 119.36 116.68 2ja6 n ILE 291 Ca 0.00 -4.77 0.09 0.00 1.00 0.00 0.00 62.75 59.07 2ja6 n ILE 291 Cb 0.42 -0.53 0.26 0.00 -0.71 0.00 0.00 39.64 39.08 2ja6 n ILE 291 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2ja6 h ILE 292 N 1.42 0.70 -3.82 1.39 2.04 -1.80 -3.35 117.51 114.08 2ja6 h ILE 292 Ca 0.11 -0.22 -0.48 0.00 1.00 0.00 0.00 64.86 65.26 2ja6 h ILE 292 Cb 0.88 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2ja6 h ILE 292 CO 0.56 0.12 0.26 -2.16 0.00 0.00 0.00 178.15 176.93 2ja6 s PRO 293 N -5.93 4.39 1.08 2.37 0.04 -1.26 -4.88 135.00 130.80 2ja6 s PRO 293 Ca -0.12 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.90 2ja6 s PRO 293 Cb 0.23 -2.68 0.23 0.00 0.04 0.00 0.00 34.50 32.31 2ja6 s PRO 293 CO 0.79 0.25 1.09 -0.51 0.04 0.00 0.00 177.00 178.65 2ja6 s ASP 294 N -1.78 1.94 0.00 6.66 -0.00 -1.26 -2.46 116.67 119.77 2ja6 s ASP 294 Ca 0.51 1.05 0.00 0.00 -0.00 0.00 0.00 52.55 54.10 2ja6 s ASP 294 Cb -0.16 -1.62 0.00 0.00 -0.00 0.00 0.00 42.92 41.14 2ja6 s ASP 294 CO 0.21 -3.54 0.00 0.61 -0.00 0.00 0.00 175.17 172.45 2ja6 n GLY 295 N -0.87 0.79 0.19 0.21 0.00 -1.26 -4.11 105.19 100.15 2ja6 n GLY 295 Ca 0.07 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2ja6 n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ja6 h GLU 296 N 0.00 0.00 0.00 1.61 4.81 -1.91 -0.30 114.58 118.79 2ja6 h GLU 296 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2ja6 h GLU 296 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2ja6 h GLU 296 CO 0.00 0.36 -0.38 0.82 -0.73 0.00 0.00 179.01 179.08 2ja6 h ILE 297 N 0.00 1.51 -0.02 2.32 2.04 -1.63 -3.12 117.51 118.61 2ja6 h ILE 297 Ca -0.00 -2.01 0.01 0.00 1.00 0.00 0.00 64.86 63.85 2ja6 h ILE 297 Cb 0.65 2.72 -0.00 0.00 -0.74 0.00 0.00 36.82 39.44 2ja6 h ILE 297 CO 0.05 0.56 0.07 -0.07 0.00 0.00 0.00 178.15 178.76 2ja6 h LEU 298 N -0.36 0.00 -0.19 1.44 -0.00 -1.75 -0.85 115.31 113.60 2ja6 h LEU 298 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.62 2ja6 h LEU 298 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 2ja6 h LEU 298 CO 0.08 0.00 -0.95 -0.33 -0.00 0.00 0.00 178.44 177.24 2ja6 h GLU 299 N 0.00 0.22 0.00 1.13 5.08 -1.00 0.57 114.58 120.59 2ja6 h GLU 299 Ca 0.01 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2ja6 h GLU 299 Cb 0.15 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2ja6 h GLU 299 CO -0.00 1.02 -0.13 0.45 -1.00 0.00 0.00 179.01 179.34 2ja6 h HIS 300 N 0.11 0.00 0.00 4.33 3.86 -1.18 -3.34 115.15 118.93 2ja6 h HIS 300 Ca -0.06 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.97 2ja6 h HIS 300 Cb 1.60 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.05 2ja6 h HIS 300 CO 0.04 0.13 -1.44 -0.89 0.86 0.00 0.00 177.93 176.63 2ja6 n ILE 301 N -3.24 1.50 -3.70 2.45 5.41 -1.09 -4.21 119.36 116.48 2ja6 n ILE 301 Ca 0.01 -0.04 -0.36 0.00 1.00 0.00 0.00 62.75 63.37 2ja6 n ILE 301 Cb 0.41 -2.17 -0.09 0.00 -0.71 0.00 0.00 39.64 37.09 2ja6 n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ja6 n TYR 303 N 3.93 1.92 -3.40 0.00 0.53 -1.26 -4.37 117.16 114.51 2ja6 n TYR 303 Ca -0.15 -0.73 -0.02 0.00 -1.02 0.00 0.00 57.90 55.98 2ja6 n TYR 303 Cb 0.52 -0.46 -0.05 0.00 -1.03 0.00 0.00 39.34 38.32 2ja6 n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 2ja6 s ASP 304 N -0.90 -0.82 0.00 7.72 -1.08 -1.26 -4.72 116.67 115.60 2ja6 s ASP 304 Ca 0.53 0.95 0.00 0.00 -0.52 0.00 0.00 52.55 53.51 2ja6 s ASP 304 Cb 0.40 1.87 0.00 0.00 -1.46 0.00 0.00 42.92 43.73 2ja6 s ASP 304 CO 0.16 -0.25 0.62 0.52 0.52 0.00 0.00 175.17 176.74 2ja6 n VAL 305 N 5.42 0.00 -2.08 1.11 0.31 -1.26 -2.77 118.33 119.05 2ja6 n VAL 305 Ca -0.06 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.05 2ja6 n VAL 305 Cb 0.50 -0.19 0.02 0.00 -0.91 0.00 0.00 33.84 33.26 2ja6 n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2ja6 n ASN 306 N -0.38 4.73 -2.40 4.52 3.02 -1.26 -4.67 115.26 118.81 2ja6 n ASN 306 Ca 0.00 -3.65 -0.15 0.00 -0.03 0.00 0.00 54.58 50.75 2ja6 n ASN 306 Cb 0.03 -0.35 0.03 0.00 -0.61 0.00 0.00 39.78 38.88 2ja6 n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2ja6 n ASP 307 N -0.70 3.52 -0.19 6.41 -0.08 -1.12 -4.93 116.55 119.47 2ja6 n ASP 307 Ca 0.42 -3.10 0.12 0.00 -1.51 0.00 0.00 54.79 50.72 2ja6 n ASP 307 Cb 0.95 -0.42 0.23 0.00 2.34 0.00 0.00 41.12 44.23 2ja6 n ASP 307 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 2ja6 n TRP 308 N -0.59 0.48 0.00 -0.67 4.27 -1.26 -0.83 117.44 118.84 2ja6 n TRP 308 Ca 0.28 0.67 0.00 0.00 -3.89 0.00 0.00 57.50 54.56 2ja6 n TRP 308 Cb 0.86 -1.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.82 2ja6 n TRP 308 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 2ja6 n GLN 309 N -4.51 0.00 -0.32 -2.67 6.02 -1.26 0.24 117.38 114.87 2ja6 n GLN 309 Ca 0.16 0.56 0.15 0.00 -0.01 0.00 0.00 57.00 57.86 2ja6 n GLN 309 Cb 0.55 -1.28 0.31 0.00 1.02 0.00 0.00 30.24 30.84 2ja6 n GLN 309 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 2ja6 h MET 310 N 0.00 0.07 0.63 -1.09 4.05 -1.42 0.23 114.93 117.39 2ja6 h MET 310 Ca 0.00 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2ja6 h MET 310 Cb 0.00 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2ja6 h MET 310 CO 0.00 0.04 -0.47 -0.07 0.23 0.00 0.00 176.91 176.65 2ja6 h LEU 311 N 0.07 -1.22 -0.65 3.39 3.38 -0.54 -2.80 115.31 116.94 2ja6 h LEU 311 Ca 0.59 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.70 2ja6 h LEU 311 Cb 1.25 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 2ja6 h LEU 311 CO -0.82 -0.67 -0.39 1.21 0.09 0.00 0.00 178.44 177.87 2ja6 n GLU 312 N -5.33 -0.29 -0.24 1.13 4.07 0.65 0.88 120.64 121.51 2ja6 n GLU 312 Ca -0.13 1.26 0.19 0.00 -0.06 0.00 0.00 57.16 58.43 2ja6 n GLU 312 Cb 0.45 -1.86 0.36 0.00 -0.06 0.00 0.00 31.44 30.33 2ja6 n GLU 312 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2ja6 n MET 313 N -4.50 -0.05 0.10 5.31 2.81 -0.48 0.15 117.12 120.46 2ja6 n MET 313 Ca 0.01 1.05 -0.05 0.00 -1.81 0.00 0.00 57.70 56.90 2ja6 n MET 313 Cb 0.17 -1.80 0.08 0.00 -0.71 0.00 0.00 33.22 30.96 2ja6 n MET 313 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2ja6 h LEU 314 N 0.00 0.12 -0.74 4.03 3.38 0.68 -3.36 115.31 119.41 2ja6 h LEU 314 Ca 0.56 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.52 2ja6 h LEU 314 Cb 1.40 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 42.02 2ja6 h LEU 314 CO -0.61 0.81 -0.44 0.29 0.09 0.00 0.00 178.44 178.58 2ja6 n LYS 315 N -3.72 -0.33 -0.18 1.13 5.02 0.39 0.96 118.16 121.43 2ja6 n LYS 315 Ca -0.02 1.34 0.19 0.00 -2.02 0.00 0.00 58.31 57.80 2ja6 n LYS 315 Cb 0.71 -1.98 0.55 0.00 -0.02 0.00 0.00 35.03 34.29 2ja6 n LYS 315 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2ja6 h PRO 316 N 0.00 0.32 0.20 1.97 0.13 -1.70 -2.25 132.00 130.66 2ja6 h PRO 316 Ca 0.12 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 2ja6 h PRO 316 Cb 0.30 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2ja6 h PRO 316 CO -0.70 0.21 -0.10 0.00 -0.23 0.00 0.00 178.00 177.19 2ja6 n VAL 318 N -2.76 -0.35 0.13 0.00 0.31 -0.27 0.16 118.33 115.55 2ja6 n VAL 318 Ca -0.03 1.90 0.20 0.00 -0.01 0.00 0.00 64.34 66.39 2ja6 n VAL 318 Cb 0.11 -2.64 0.74 0.00 -0.91 0.00 0.00 33.84 31.13 2ja6 n VAL 318 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2ja6 h GLU 319 N 0.00 0.00 0.09 5.55 5.08 -1.41 -0.69 114.58 123.19 2ja6 h GLU 319 Ca 0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2ja6 h GLU 319 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2ja6 h GLU 319 CO -0.85 0.00 -0.04 0.22 -1.00 0.00 0.00 179.01 177.34 2ja6 h ASP 320 N 0.00 -0.10 0.55 1.42 3.58 0.16 -3.24 116.42 118.79 2ja6 h ASP 320 Ca 0.17 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2ja6 h ASP 320 Cb 1.08 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2ja6 h ASP 320 CO -0.00 0.36 0.00 0.61 -2.88 0.00 0.00 179.24 177.33 2ja6 n GLY 321 N 0.13 -1.08 0.60 -0.78 0.00 -0.30 -4.03 105.19 99.73 2ja6 n GLY 321 Ca -0.09 -0.08 0.44 0.00 0.00 0.00 0.00 46.02 46.29 2ja6 n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ja6 h PHE 322 N 0.00 0.14 0.00 1.61 3.57 -1.50 0.58 116.94 121.33 2ja6 h PHE 322 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2ja6 h PHE 322 Cb 0.27 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2ja6 h PHE 322 CO 0.00 -0.04 0.00 0.28 -2.23 0.00 0.00 178.31 176.32 2ja6 n VAL 323 N -4.19 0.52 -4.37 1.41 0.31 -1.26 -4.67 118.33 106.08 2ja6 n VAL 323 Ca 0.37 0.13 -0.24 0.00 -0.01 0.00 0.00 64.34 64.59 2ja6 n VAL 323 Cb 1.63 -0.85 -0.09 0.00 -0.91 0.00 0.00 33.84 33.62 2ja6 n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ja6 s ILE 324 N -2.58 2.98 0.00 2.52 1.01 0.20 -5.06 121.20 120.28 2ja6 s ILE 324 Ca 0.16 -2.08 0.00 0.00 0.00 0.00 0.00 60.65 58.73 2ja6 s ILE 324 Cb 0.11 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 40.02 2ja6 s ILE 324 CO 0.26 -0.33 0.05 1.67 0.00 0.00 0.00 174.94 176.58 2ja6 n GLN 325 N -0.60 0.00 -3.60 2.79 -0.06 -1.26 -5.02 117.38 109.63 2ja6 n GLN 325 Ca -0.07 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.81 2ja6 n GLN 325 Cb 0.59 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.70 2ja6 n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 2ja6 s ASP 326 N 0.00 -0.56 0.27 1.69 -4.77 -1.26 -4.97 116.67 107.07 2ja6 s ASP 326 Ca 0.00 0.92 0.09 0.00 -3.30 0.00 0.00 52.55 50.26 2ja6 s ASP 326 Cb 0.00 0.88 0.84 0.00 -1.09 0.00 0.00 42.92 43.54 2ja6 s ASP 326 CO 0.00 -0.30 1.22 -1.14 0.70 0.00 0.00 175.17 175.65 2ja6 n ARG 327 N 1.84 -0.05 0.00 2.11 0.63 -1.26 -1.18 116.66 118.74 2ja6 n ARG 327 Ca -0.14 1.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.91 2ja6 n ARG 327 Cb 0.56 -1.89 0.00 0.00 0.45 0.00 0.00 32.46 31.58 2ja6 n ARG 327 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2ja6 n GLU 328 N -4.91 0.00 0.22 -0.14 1.02 -1.26 -1.80 120.64 113.76 2ja6 n GLU 328 Ca 0.24 0.61 0.14 0.00 -0.02 0.00 0.00 57.16 58.13 2ja6 n GLU 328 Cb 0.81 -1.39 0.76 0.00 -0.02 0.00 0.00 31.44 31.61 2ja6 n GLU 328 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2ja6 h THR 329 N 0.00 0.72 0.17 2.62 2.02 -1.62 -2.55 112.91 114.27 2ja6 h THR 329 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2ja6 h THR 329 Cb 0.00 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2ja6 h THR 329 CO 0.00 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.78 2ja6 h ALA 330 N 1.91 -0.95 -0.36 6.16 0.00 -0.62 -2.58 119.26 122.82 2ja6 h ALA 330 Ca 0.06 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2ja6 h ALA 330 Cb 0.25 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2ja6 h ALA 330 CO -0.00 -0.95 0.26 -0.07 0.00 0.00 0.00 179.25 178.50 2ja6 h LEU 331 N -0.27 0.00 -0.51 0.00 4.07 -1.28 -2.14 115.31 115.19 2ja6 h LEU 331 Ca -0.02 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.03 2ja6 h LEU 331 Cb 0.22 -0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.88 2ja6 h LEU 331 CO 0.02 0.00 0.07 -0.78 -1.08 0.00 0.00 178.44 176.67 2ja6 h ASP 332 N 0.00 -0.07 0.66 -0.43 3.58 -1.07 -1.42 116.42 117.69 2ja6 h ASP 332 Ca 0.17 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.69 2ja6 h ASP 332 Cb 0.69 0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.90 2ja6 h ASP 332 CO -0.00 -0.01 -0.32 0.15 -2.88 0.00 0.00 179.24 176.18 2ja6 h PHE 333 N 0.20 -0.83 -0.99 0.28 3.57 -1.10 -1.89 116.94 116.18 2ja6 h PHE 333 Ca 0.26 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 62.01 2ja6 h PHE 333 Cb 0.37 0.28 -0.18 0.00 2.79 0.00 0.00 35.95 39.20 2ja6 h PHE 333 CO -0.26 -0.52 0.04 0.82 -2.23 0.00 0.00 178.31 176.16 2ja6 h ILE 334 N -0.90 0.02 -0.28 1.41 2.04 -1.56 -0.72 117.51 117.52 2ja6 h ILE 334 Ca -0.09 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 2ja6 h ILE 334 Cb 0.69 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2ja6 h ILE 334 CO 0.15 0.00 -0.24 1.23 0.00 0.00 0.00 178.15 179.29 2ja6 h GLY 335 N 0.01 0.73 0.70 5.37 0.00 -1.10 -2.09 103.07 106.69 2ja6 h GLY 335 Ca 0.60 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 2ja6 h GLY 335 CO -0.92 0.65 -0.29 3.21 0.00 0.00 0.00 176.54 179.20 2ja6 h ARG 336 N 0.41 0.35 -1.06 4.80 3.08 -0.40 0.34 114.38 121.89 2ja6 h ARG 336 Ca 0.05 -0.26 0.28 0.00 0.07 0.00 0.00 59.98 60.12 2ja6 h ARG 336 Cb 0.80 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.82 2ja6 h ARG 336 CO 0.06 0.88 0.70 -0.09 -1.07 0.00 0.00 179.97 180.45 2ja6 h ARG 337 N -0.12 0.30 0.00 0.04 9.65 -1.30 -3.31 114.38 119.63 2ja6 h ARG 337 Ca -0.01 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2ja6 h ARG 337 Cb 0.92 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 2ja6 h ARG 337 CO 0.06 0.20 -0.01 0.78 2.80 0.00 0.00 179.97 183.80 2ja6 h GLY 338 N 0.30 0.00 -4.14 2.80 0.00 -0.18 -3.43 103.07 98.43 2ja6 h GLY 338 Ca 0.58 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.36 2ja6 h GLY 338 CO -0.23 0.00 -0.81 2.41 0.00 0.00 0.00 176.54 177.91 2ja6 n THR 339 N -2.50 2.38 -4.03 4.70 -1.04 -1.26 -4.33 114.28 108.21 2ja6 n THR 339 Ca -0.00 -4.42 -0.30 0.00 -2.04 0.00 0.00 64.05 57.29 2ja6 n THR 339 Cb 0.01 -1.06 -0.06 0.00 -1.82 0.00 0.00 70.33 67.40 2ja6 n THR 339 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ja6 s ALA 340 N -3.57 3.64 0.16 2.41 0.00 -1.24 -4.94 121.76 118.21 2ja6 s ALA 340 Ca 0.48 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2ja6 s ALA 340 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2ja6 s ALA 340 CO -0.05 0.75 0.00 1.28 0.00 0.00 0.00 175.76 177.74 2ja6 n LEU 341 N 0.39 -1.37 -0.84 0.00 4.77 -1.26 -4.91 117.00 113.77 2ja6 n LEU 341 Ca -0.08 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 2ja6 n LEU 341 Cb 0.52 1.58 0.09 0.00 -2.33 0.00 0.00 43.42 43.28 2ja6 n LEU 341 CO 0.45 -0.25 0.57 0.61 -1.33 0.00 0.00 177.39 177.44 2ja6 n GLY 342 N -1.28 0.76 3.76 -0.72 0.00 -1.26 -4.96 105.19 101.49 2ja6 n GLY 342 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2ja6 n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ja6 s ILE 343 N -2.11 2.22 -0.39 -0.61 1.01 -1.26 -4.90 121.20 115.16 2ja6 s ILE 343 Ca 0.26 0.21 0.07 0.00 0.00 0.00 0.00 60.65 61.19 2ja6 s ILE 343 Cb 0.20 -3.13 0.56 0.00 0.01 0.00 0.00 42.46 40.09 2ja6 s ILE 343 CO 0.36 0.04 1.53 0.29 0.00 0.00 0.00 174.94 177.17 2ja6 n LYS 344 N 1.29 3.03 0.00 2.79 5.02 -1.26 -4.88 118.16 124.15 2ja6 n LYS 344 Ca 0.04 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.05 2ja6 n LYS 344 Cb 0.39 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 2ja6 n LYS 344 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ja6 n LYS 345 N -0.05 0.00 -0.31 1.97 5.02 -1.26 -4.72 118.16 118.81 2ja6 n LYS 345 Ca 0.31 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.77 2ja6 n LYS 345 Cb 1.13 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 36.58 2ja6 n LYS 345 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2ja6 h GLU 346 N 0.00 0.53 -0.09 1.97 5.08 -1.99 0.69 114.58 120.76 2ja6 h GLU 346 Ca 0.00 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 2ja6 h GLU 346 Cb 0.00 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.14 2ja6 h GLU 346 CO 0.00 0.35 -0.84 0.87 -1.00 0.00 0.00 179.01 178.39 2ja6 h LYS 347 N 0.54 0.66 -0.12 2.33 1.57 -1.93 -2.21 116.57 117.41 2ja6 h LYS 347 Ca 0.55 -0.59 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2ja6 h LYS 347 Cb 1.16 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2ja6 h LYS 347 CO -0.29 1.20 -0.04 0.00 -0.57 0.00 0.00 179.45 179.75 2ja6 h ARG 348 N 0.43 -0.02 -0.54 3.15 3.08 -0.19 0.17 114.38 120.46 2ja6 h ARG 348 Ca -0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2ja6 h ARG 348 Cb 1.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.50 2ja6 h ARG 348 CO 0.16 -0.01 0.20 0.82 -1.07 0.00 0.00 179.97 180.07 2ja6 h ILE 349 N -0.02 1.22 -0.89 2.04 2.04 -0.39 -2.71 117.51 118.80 2ja6 h ILE 349 Ca 0.06 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.21 2ja6 h ILE 349 Cb 0.11 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2ja6 h ILE 349 CO -0.13 0.27 0.59 -0.61 0.00 0.00 0.00 178.15 178.27 2ja6 h GLN 350 N 0.74 1.17 -0.72 2.37 5.75 -0.96 -1.69 115.11 121.77 2ja6 h GLN 350 Ca 0.18 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.70 2ja6 h GLN 350 Cb 0.23 -0.26 -0.07 0.00 1.07 0.00 0.00 27.48 28.44 2ja6 h GLN 350 CO -0.01 0.77 0.38 -0.92 -2.65 0.00 0.00 178.83 176.40 2ja6 h TYR 351 N 1.20 0.68 0.42 3.99 3.20 -0.66 -2.59 116.97 123.21 2ja6 h TYR 351 Ca 0.33 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.21 2ja6 h TYR 351 Cb -0.13 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 37.95 2ja6 h TYR 351 CO -0.01 0.26 -0.20 0.00 -1.64 0.00 0.00 178.16 176.57 2ja6 h ALA 352 N 1.42 -0.57 -0.40 1.82 0.00 -1.18 -2.37 119.26 117.99 2ja6 h ALA 352 Ca 0.35 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2ja6 h ALA 352 Cb 0.35 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2ja6 h ALA 352 CO -0.25 -0.69 -0.24 1.63 0.00 0.00 0.00 179.25 179.70 2ja6 n LYS 353 N -5.23 -0.18 -0.07 0.00 5.02 -0.70 -0.22 118.16 116.78 2ja6 n LYS 353 Ca -0.10 1.14 -0.10 0.00 -2.02 0.00 0.00 58.31 57.22 2ja6 n LYS 353 Cb 0.29 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 2ja6 n LYS 353 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2ja6 h ASP 354 N 0.00 -1.28 -0.66 4.39 3.32 -1.53 0.19 116.42 120.84 2ja6 h ASP 354 Ca 0.06 0.19 0.14 0.00 0.02 0.00 0.00 57.03 57.44 2ja6 h ASP 354 Cb 0.16 0.55 -0.12 0.00 0.22 0.00 0.00 39.33 40.14 2ja6 h ASP 354 CO -0.38 -0.38 -0.10 0.40 -1.72 0.00 0.00 179.24 177.06 2ja6 h ILE 355 N -0.38 0.37 0.00 0.35 2.04 -0.47 1.44 117.51 120.86 2ja6 h ILE 355 Ca 0.12 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 2ja6 h ILE 355 Cb 0.59 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2ja6 h ILE 355 CO -0.48 0.01 -0.27 -0.07 0.00 0.00 0.00 178.15 177.33 2ja6 h LEU 356 N 0.04 0.00 0.03 1.44 3.38 0.42 0.99 115.31 121.60 2ja6 h LEU 356 Ca 0.33 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.08 2ja6 h LEU 356 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2ja6 h LEU 356 CO -0.64 0.27 -1.20 1.56 0.09 0.00 0.00 178.44 178.52 2ja6 h GLN 357 N 0.00 0.06 0.00 1.13 4.20 0.28 -3.33 115.11 117.45 2ja6 h GLN 357 Ca -0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2ja6 h GLN 357 Cb 0.73 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2ja6 h GLN 357 CO 0.04 1.05 -1.52 1.63 -0.67 0.00 0.00 178.83 179.35 2ja6 n LYS 358 N -4.30 0.38 -0.03 1.46 5.02 0.45 -3.96 118.16 117.18 2ja6 n LYS 358 Ca -0.28 -0.10 -0.03 0.00 -2.02 0.00 0.00 58.31 55.87 2ja6 n LYS 358 Cb 0.72 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 2ja6 n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ja6 n GLU 359 N -1.89 2.48 -2.34 1.97 -0.58 0.12 -4.71 120.64 115.68 2ja6 n GLU 359 Ca -0.00 0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.32 2ja6 n GLU 359 Cb 0.45 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 30.16 2ja6 n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2ja6 s PHE 360 N -2.13 2.59 -1.59 -0.32 5.36 0.30 -3.55 117.98 118.64 2ja6 s PHE 360 Ca -0.04 0.82 -0.07 0.00 -0.96 0.00 0.00 56.93 56.68 2ja6 s PHE 360 Cb 0.02 -3.80 0.06 0.00 -0.34 0.00 0.00 43.02 38.96 2ja6 s PHE 360 CO 0.20 -2.04 0.33 -0.11 -1.46 0.00 0.00 175.22 172.14 2ja6 n LEU 361 N 7.45 -1.41 0.12 6.12 7.94 -1.26 -4.71 117.00 131.25 2ja6 n LEU 361 Ca 0.15 -1.16 0.12 0.00 -1.11 0.00 0.00 56.01 54.02 2ja6 n LEU 361 Cb 0.46 -1.84 0.24 0.00 0.53 0.00 0.00 43.42 42.81 2ja6 n LEU 361 CO 0.61 0.37 1.11 1.55 -1.11 0.00 0.00 177.39 179.93 2ja6 h PRO 362 N -1.61 0.00 -7.52 1.96 0.13 -1.84 -3.40 132.00 119.72 2ja6 h PRO 362 Ca -0.63 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.02 2ja6 h PRO 362 Cb 1.39 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.62 2ja6 h PRO 362 CO 0.73 0.00 0.39 -3.38 -0.23 0.00 0.00 178.00 175.50 2ja6 s HIS 363 N -4.19 3.02 0.00 1.56 -3.43 -1.26 -3.78 115.29 107.21 2ja6 s HIS 363 Ca -0.01 0.94 0.00 0.00 -0.80 0.00 0.00 55.06 55.18 2ja6 s HIS 363 Cb 0.06 -3.27 0.00 0.00 -1.43 0.00 0.00 32.58 27.95 2ja6 s HIS 363 CO 0.21 -1.63 0.00 -0.89 -2.00 0.00 0.00 174.74 170.44 2ja6 n ILE 364 N -3.28 0.00 0.00 -5.38 5.41 -1.26 -4.84 119.36 110.01 2ja6 n ILE 364 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2ja6 n ILE 364 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.52 2ja6 n ILE 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2ja6 n THR 365 N 0.00 0.00 0.10 1.39 -1.04 -1.25 -5.01 114.28 108.48 2ja6 n THR 365 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 2ja6 n THR 365 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 2ja6 n THR 365 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ja6 n GLN 366 N -0.51 1.35 0.00 -2.82 6.02 -1.25 -4.82 117.38 115.34 2ja6 n GLN 366 Ca 0.00 -1.35 0.00 0.00 -0.01 0.00 0.00 57.00 55.64 2ja6 n GLN 366 Cb 0.00 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.11 2ja6 n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ja6 n LEU 367 N 0.26 0.00 0.00 1.08 4.77 -1.26 -4.27 117.00 117.58 2ja6 n LEU 367 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2ja6 n LEU 367 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2ja6 n LEU 367 CO 0.05 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.32 2ja6 n GLU 368 N 0.00 0.00 -0.13 3.23 2.13 -1.26 -4.89 120.64 119.72 2ja6 n GLU 368 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2ja6 n GLU 368 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 2ja6 n GLU 368 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ja6 n GLY 369 N -0.04 1.87 0.49 8.31 0.00 -1.26 -3.94 105.19 110.62 2ja6 n GLY 369 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2ja6 n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ja6 n PHE 370 N 4.72 0.00 -0.01 1.61 3.01 -1.26 -4.87 117.46 120.66 2ja6 n PHE 370 Ca 0.08 0.00 0.23 0.00 1.01 0.00 0.00 57.45 58.77 2ja6 n PHE 370 Cb 0.03 -0.03 0.69 0.00 -0.01 0.00 0.00 39.48 40.16 2ja6 n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2ja6 h GLU 371 N 0.00 0.00 0.00 -1.08 3.07 -1.89 0.92 114.58 115.60 2ja6 h GLU 371 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2ja6 h GLU 371 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2ja6 h GLU 371 CO 0.00 0.00 -0.24 -1.13 -1.40 0.00 0.00 179.01 176.24 2ja6 n SER 372 N -3.68 0.77 -0.00 1.42 3.41 -1.26 -2.41 113.62 111.87 2ja6 n SER 372 Ca 0.12 0.40 -0.14 0.00 -0.26 0.00 0.00 58.87 58.99 2ja6 n SER 372 Cb 0.86 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 64.24 2ja6 n SER 372 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2ja6 h ARG 373 N 0.00 0.11 0.01 4.33 2.43 0.50 -3.24 114.38 118.52 2ja6 h ARG 373 Ca 0.00 -0.20 -0.21 0.00 -0.81 0.00 0.00 59.98 58.76 2ja6 h ARG 373 Cb 0.74 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 2ja6 h ARG 373 CO 0.00 0.80 -1.00 0.87 -1.51 0.00 0.00 179.97 179.14 2ja6 h LYS 374 N 0.03 0.01 -0.45 0.20 1.57 -1.56 -3.25 116.57 113.12 2ja6 h LYS 374 Ca -0.33 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 2ja6 h LYS 374 Cb 2.02 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.32 2ja6 h LYS 374 CO 0.09 1.00 0.17 0.00 -0.57 0.00 0.00 179.45 180.13 2ja6 h ALA 375 N 0.99 0.58 0.00 3.86 0.00 -1.61 -1.06 119.26 122.03 2ja6 h ALA 375 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ja6 h ALA 375 Cb 1.76 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2ja6 h ALA 375 CO 0.13 0.21 0.00 0.74 0.00 0.00 0.00 179.25 180.33 2ja6 h PHE 376 N 0.58 0.00 0.00 0.00 -1.00 -1.62 -2.27 116.94 112.63 2ja6 h PHE 376 Ca 0.15 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.89 2ja6 h PHE 376 Cb 0.22 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 2ja6 h PHE 376 CO 0.01 0.00 -0.23 0.35 -1.61 0.00 0.00 178.31 176.83 2ja6 h PHE 377 N 0.00 0.00 -1.15 -0.55 3.57 -1.49 0.63 116.94 117.95 2ja6 h PHE 377 Ca 0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.83 2ja6 h PHE 377 Cb 0.43 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 2ja6 h PHE 377 CO 0.00 0.71 0.79 1.25 -2.23 0.00 0.00 178.31 178.83 2ja6 h LEU 378 N -1.00 0.18 0.02 0.59 5.85 -1.13 1.29 115.31 121.10 2ja6 h LEU 378 Ca -0.05 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2ja6 h LEU 378 Cb 0.72 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2ja6 h LEU 378 CO -0.03 0.02 -0.01 1.23 -0.34 0.00 0.00 178.44 179.31 2ja6 h GLY 379 N 0.15 -0.03 -0.41 3.75 0.00 -1.43 -2.36 103.07 102.74 2ja6 h GLY 379 Ca 0.60 0.01 0.35 0.00 0.00 0.00 0.00 47.33 48.29 2ja6 h GLY 379 CO -0.14 -0.01 0.87 -1.82 0.00 0.00 0.00 176.54 175.44 2ja6 h TYR 380 N -0.79 0.00 0.03 5.60 3.20 0.39 0.42 116.97 125.82 2ja6 h TYR 380 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ja6 h TYR 380 Cb 0.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2ja6 h TYR 380 CO 0.18 0.00 -0.02 0.52 -1.64 0.00 0.00 178.16 177.20 2ja6 h MET 381 N 0.00 -0.04 -1.24 1.82 2.86 -0.52 -2.75 114.93 115.06 2ja6 h MET 381 Ca 0.57 0.00 0.36 0.00 -2.06 0.00 0.00 59.70 58.57 2ja6 h MET 381 Cb 2.30 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 33.91 2ja6 h MET 381 CO -0.01 0.08 0.87 0.82 1.06 0.00 0.00 176.91 179.73 2ja6 h ILE 382 N -1.01 0.37 0.00 -1.22 2.04 -0.47 0.63 117.51 117.85 2ja6 h ILE 382 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2ja6 h ILE 382 Cb 0.14 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2ja6 h ILE 382 CO 0.01 0.01 0.00 -3.20 0.00 0.00 0.00 178.15 174.97 2ja6 n ASN 383 N -4.28 0.00 -0.24 1.72 5.15 0.13 -1.95 115.26 115.79 2ja6 n ASN 383 Ca 0.28 0.63 0.02 0.00 -0.60 0.00 0.00 54.58 54.91 2ja6 n ASN 383 Cb 1.26 -0.23 0.06 0.00 -0.53 0.00 0.00 39.78 40.34 2ja6 n ASN 383 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2ja6 n ARG 384 N -1.20 -0.10 -0.07 1.20 5.12 0.43 0.55 116.66 122.60 2ja6 n ARG 384 Ca 0.00 1.00 -0.12 0.00 -1.93 0.00 0.00 57.85 56.80 2ja6 n ARG 384 Cb 0.00 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 29.72 2ja6 n ARG 384 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2ja6 h LEU 385 N 0.00 -1.55 0.52 0.55 5.85 0.13 -2.84 115.31 117.97 2ja6 h LEU 385 Ca 0.27 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 59.16 2ja6 h LEU 385 Cb 0.43 0.62 0.01 0.00 0.37 0.00 0.00 40.66 42.09 2ja6 h LEU 385 CO -0.66 -0.38 -0.25 -0.07 -0.34 0.00 0.00 178.44 176.75 2ja6 h LEU 386 N -0.41 -0.59 -0.65 2.25 3.38 0.79 -2.72 115.31 117.36 2ja6 h LEU 386 Ca 0.05 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.30 2ja6 h LEU 386 Cb 0.54 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 2ja6 h LEU 386 CO -0.45 -0.42 0.35 0.18 0.09 0.00 0.00 178.44 178.19 2ja6 n LEU 387 N -5.39 0.22 0.10 1.67 4.32 -0.45 0.10 117.00 117.58 2ja6 n LEU 387 Ca -0.12 1.06 -0.05 0.00 -0.02 0.00 0.00 56.01 56.87 2ja6 n LEU 387 Cb 0.29 -0.52 -0.02 0.00 -1.62 0.00 0.00 43.42 41.55 2ja6 n LEU 387 CO 0.37 -1.18 0.14 0.00 -1.22 0.00 0.00 177.39 175.50 2ja6 n ALA 389 N -2.71 0.54 -0.93 0.00 0.00 0.29 0.33 120.51 118.02 2ja6 n ALA 389 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.48 2ja6 n ALA 389 Cb 0.13 -0.42 0.13 0.00 0.00 0.00 0.00 19.45 19.29 2ja6 n ALA 389 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ja6 n LEU 390 N -0.94 2.37 -3.70 0.00 4.77 -0.49 -5.01 117.00 114.01 2ja6 n LEU 390 Ca 0.00 -2.95 -0.29 0.00 -0.03 0.00 0.00 56.01 52.74 2ja6 n LEU 390 Cb 0.13 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2ja6 n LEU 390 CO 0.00 0.68 -0.07 0.47 -1.33 0.00 0.00 177.39 177.14 2ja6 n ASP 391 N -1.28 -5.33 0.00 -1.43 9.92 0.99 -4.88 116.55 114.54 2ja6 n ASP 391 Ca 0.14 -0.95 0.00 0.00 -0.53 0.00 0.00 54.79 53.45 2ja6 n ASP 391 Cb 0.60 -2.98 0.00 0.00 -0.64 0.00 0.00 41.12 38.10 2ja6 n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ja6 n ARG 392 N -3.76 2.38 -4.42 -1.24 1.74 -0.36 -5.02 116.66 105.99 2ja6 n ARG 392 Ca -0.13 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.74 2ja6 n ARG 392 Cb 0.60 -0.95 -0.16 0.00 -1.02 0.00 0.00 32.46 30.93 2ja6 n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2ja6 s LYS 393 N -1.89 1.12 1.01 5.56 -0.14 -1.19 -4.99 119.74 119.22 2ja6 s LYS 393 Ca 0.00 -0.31 -0.11 0.00 -1.36 0.00 0.00 55.97 54.19 2ja6 s LYS 393 Cb 0.00 -1.01 0.20 0.00 -1.68 0.00 0.00 37.83 35.34 2ja6 s LYS 393 CO 0.00 0.08 1.10 -0.51 -0.76 0.00 0.00 175.35 175.25 2ja6 s ASP 394 N 0.37 2.16 0.77 2.83 1.01 -1.26 -4.39 116.67 118.16 2ja6 s ASP 394 Ca -0.06 1.90 -0.12 0.00 0.71 0.00 0.00 52.55 54.98 2ja6 s ASP 394 Cb -0.11 -2.46 0.06 0.00 1.01 0.00 0.00 42.92 41.42 2ja6 s ASP 394 CO 0.01 -3.53 1.12 -1.58 0.21 0.00 0.00 175.17 171.40 2ja6 s GLN 395 N -4.58 2.16 0.25 8.23 0.74 -1.26 -4.95 119.66 120.24 2ja6 s GLN 395 Ca 0.67 1.35 -0.30 0.00 0.05 0.00 0.00 55.36 57.13 2ja6 s GLN 395 Cb -0.23 -1.87 -0.09 0.00 1.10 0.00 0.00 33.01 31.91 2ja6 s GLN 395 CO 0.61 -1.74 1.05 -0.51 -0.55 0.00 0.00 175.29 174.14 2ja6 s ASP 396 N -2.93 7.38 -0.07 6.67 1.01 -0.30 -5.00 116.67 123.42 2ja6 s ASP 396 Ca 0.65 2.14 -0.30 0.00 0.71 0.00 0.00 52.55 55.75 2ja6 s ASP 396 Cb -0.20 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.09 2ja6 s ASP 396 CO 0.52 -0.06 1.04 -0.62 0.21 0.00 0.00 175.17 176.26 2ja6 s ASP 397 N -0.84 7.23 0.22 0.27 -1.08 -1.26 -4.92 116.67 116.29 2ja6 s ASP 397 Ca 0.44 1.62 0.26 0.00 -0.52 0.00 0.00 52.55 54.35 2ja6 s ASP 397 Cb -0.30 -2.56 0.85 0.00 -1.46 0.00 0.00 42.92 39.45 2ja6 s ASP 397 CO 0.37 -0.44 1.77 0.54 0.52 0.00 0.00 175.17 177.93 2ja6 n ARG 398 N 4.82 0.25 -0.94 4.34 1.74 -1.26 -3.84 116.66 121.76 2ja6 n ARG 398 Ca 0.09 0.26 -0.08 0.00 -0.77 0.00 0.00 57.85 57.35 2ja6 n ARG 398 Cb 0.49 -1.82 0.18 0.00 -1.02 0.00 0.00 32.46 30.29 2ja6 n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2ja6 n ASP 399 N -2.25 2.85 -4.50 0.55 8.00 -1.26 -4.92 116.55 115.02 2ja6 n ASP 399 Ca 0.05 -3.80 -0.42 0.00 0.71 0.00 0.00 54.79 51.33 2ja6 n ASP 399 Cb 0.39 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 2ja6 n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2ja6 s HIS 400 N -3.31 2.69 0.28 1.24 2.46 -1.25 -4.86 115.29 112.54 2ja6 s HIS 400 Ca 0.46 -0.80 0.23 0.00 0.47 0.00 0.00 55.06 55.42 2ja6 s HIS 400 Cb 0.41 -4.48 0.89 0.00 -0.13 0.00 0.00 32.58 29.28 2ja6 s HIS 400 CO -0.00 -1.77 0.86 0.34 -2.47 0.00 0.00 174.74 171.70 2ja6 n PHE 401 N 8.03 0.19 0.52 3.88 7.35 -1.26 0.58 117.46 136.75 2ja6 n PHE 401 Ca 0.17 0.19 0.05 0.00 -0.76 0.00 0.00 57.45 57.11 2ja6 n PHE 401 Cb 0.49 -0.52 0.28 0.00 0.35 0.00 0.00 39.48 40.08 2ja6 n PHE 401 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ja6 n GLY 402 N -1.40 -0.62 0.43 7.13 0.00 -1.26 -1.61 105.19 107.86 2ja6 n GLY 402 Ca 0.24 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2ja6 n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ja6 n LYS 403 N -1.26 1.48 -4.63 1.61 5.02 0.19 -4.66 118.16 115.92 2ja6 n LYS 403 Ca 0.05 -3.06 -0.22 0.00 -2.02 0.00 0.00 58.31 53.06 2ja6 n LYS 403 Cb 0.08 -1.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.37 2ja6 n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ja6 s LYS 404 N -3.10 1.12 -0.08 1.97 1.02 -0.64 0.07 119.74 120.10 2ja6 s LYS 404 Ca 0.36 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.87 2ja6 s LYS 404 Cb 0.34 -1.09 0.01 0.00 -0.52 0.00 0.00 37.83 36.57 2ja6 s LYS 404 CO -0.04 0.30 -0.18 1.03 -0.92 0.00 0.00 175.35 175.54 2ja6 s ARG 405 N -0.37 2.39 -0.91 1.68 1.81 -0.17 -4.63 118.95 118.75 2ja6 s ARG 405 Ca 0.05 -0.65 -0.16 0.00 -1.72 0.00 0.00 55.73 53.25 2ja6 s ARG 405 Cb -0.06 -1.87 0.18 0.00 -0.45 0.00 0.00 34.95 32.76 2ja6 s ARG 405 CO -0.00 0.10 0.97 -0.51 -0.68 0.00 0.00 175.30 175.18 2ja6 s LEU 406 N 0.51 5.93 0.30 2.53 1.43 0.10 -2.43 118.68 127.05 2ja6 s LEU 406 Ca -0.17 -2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 50.15 2ja6 s LEU 406 Cb -0.17 -2.30 -0.12 0.00 0.03 0.00 0.00 46.19 43.63 2ja6 s LEU 406 CO 0.06 -0.77 1.44 0.47 0.23 0.00 0.00 176.35 177.78 2ja6 n ASP 407 N 5.08 3.20 -2.77 2.29 8.00 -1.24 -4.74 116.55 126.37 2ja6 n ASP 407 Ca 0.20 1.17 -0.09 0.00 0.71 0.00 0.00 54.79 56.78 2ja6 n ASP 407 Cb 0.47 -1.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.05 2ja6 n ASP 407 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2ja6 n LEU 408 N 1.64 0.00 -0.32 0.64 7.94 -1.26 -2.07 117.00 123.57 2ja6 n LEU 408 Ca 0.08 -0.87 0.23 0.00 -1.11 0.00 0.00 56.01 54.34 2ja6 n LEU 408 Cb 0.35 0.07 0.45 0.00 0.53 0.00 0.00 43.42 44.82 2ja6 n LEU 408 CO 0.63 -0.19 1.01 0.00 -1.11 0.00 0.00 177.39 177.73 2ja6 h ALA 409 N 0.97 1.78 -2.20 1.96 0.00 -1.90 -1.58 119.26 118.29 2ja6 h ALA 409 Ca -0.11 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ja6 h ALA 409 Cb 0.36 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2ja6 h ALA 409 CO 0.19 -0.69 0.00 0.41 0.00 0.00 0.00 179.25 179.15 2ja6 n GLY 410 N -1.33 -1.63 0.24 0.00 0.00 -1.26 -2.67 105.19 98.54 2ja6 n GLY 410 Ca 0.31 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.56 2ja6 n GLY 410 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ja6 n PRO 411 N -0.90 -0.05 0.42 1.61 -0.02 -1.09 0.73 135.00 135.71 2ja6 n PRO 411 Ca 0.00 1.03 -0.20 0.00 -2.02 0.00 0.00 63.50 62.32 2ja6 n PRO 411 Cb 0.00 -1.85 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 2ja6 n PRO 411 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2ja6 h LEU 412 N 0.00 -1.28 -1.37 2.45 3.38 -1.34 0.31 115.31 117.46 2ja6 h LEU 412 Ca 0.63 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.82 2ja6 h LEU 412 Cb 1.65 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 42.71 2ja6 h LEU 412 CO -0.58 -0.75 0.56 -0.07 0.09 0.00 0.00 178.44 177.69 2ja6 h LEU 413 N -1.19 0.58 0.21 1.67 3.38 0.54 -0.43 115.31 120.06 2ja6 h LEU 413 Ca -0.10 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2ja6 h LEU 413 Cb 0.97 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2ja6 h LEU 413 CO 0.09 0.29 -0.32 0.00 0.09 0.00 0.00 178.44 178.58 2ja6 h ALA 414 N 1.61 -0.93 -0.94 1.53 0.00 0.52 0.40 119.26 121.46 2ja6 h ALA 414 Ca 0.43 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.48 2ja6 h ALA 414 Cb 0.78 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 2ja6 h ALA 414 CO -0.18 -0.97 0.63 0.37 0.00 0.00 0.00 179.25 179.09 2ja6 h GLN 415 N -0.56 0.30 0.30 0.00 4.15 0.97 -1.66 115.11 118.61 2ja6 h GLN 415 Ca -0.02 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2ja6 h GLN 415 Cb 0.51 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2ja6 h GLN 415 CO -0.10 0.20 -0.14 -0.07 -1.93 0.00 0.00 178.83 176.79 2ja6 h LEU 416 N 0.31 -0.34 -0.91 -2.39 3.38 -0.18 -2.77 115.31 112.40 2ja6 h LEU 416 Ca 0.49 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.73 2ja6 h LEU 416 Cb 1.39 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 42.08 2ja6 h LEU 416 CO -0.16 -0.01 0.28 0.15 0.09 0.00 0.00 178.44 178.79 2ja6 h PHE 417 N -0.87 0.42 0.75 1.13 3.57 0.07 -0.59 116.94 121.41 2ja6 h PHE 417 Ca -0.04 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2ja6 h PHE 417 Cb 0.31 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2ja6 h PHE 417 CO 0.02 -0.23 -0.46 0.87 -2.23 0.00 0.00 178.31 176.29 2ja6 h LYS 418 N 0.21 -1.09 0.00 1.11 1.57 -1.38 1.16 116.57 118.15 2ja6 h LYS 418 Ca 0.59 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 2ja6 h LYS 418 Cb 1.23 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2ja6 h LYS 418 CO -0.67 -0.73 0.00 2.41 -0.57 0.00 0.00 179.45 179.89 2ja6 n THR 419 N -5.34 1.26 -0.10 -0.16 -1.04 -0.49 -2.26 114.28 106.14 2ja6 n THR 419 Ca -0.14 0.32 -0.18 0.00 -2.04 0.00 0.00 64.05 62.01 2ja6 n THR 419 Cb 0.47 -1.22 -0.06 0.00 -1.82 0.00 0.00 70.33 67.70 2ja6 n THR 419 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2ja6 n LEU 420 N -1.39 1.83 -0.37 -4.42 4.77 -0.35 -4.09 117.00 112.99 2ja6 n LEU 420 Ca 0.02 0.31 0.34 0.00 -0.03 0.00 0.00 56.01 56.65 2ja6 n LEU 420 Cb 0.05 -0.73 0.68 0.00 -2.33 0.00 0.00 43.42 41.10 2ja6 n LEU 420 CO 0.05 0.11 1.30 0.15 -1.33 0.00 0.00 177.39 177.67 2ja6 h PHE 421 N -0.91 0.24 -0.00 -1.77 3.57 0.15 0.79 116.94 119.00 2ja6 h PHE 421 Ca -0.33 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.01 2ja6 h PHE 421 Cb 1.24 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 2ja6 h PHE 421 CO -0.24 -0.01 -0.77 0.87 -2.23 0.00 0.00 178.31 175.93 2ja6 h LYS 422 N 0.12 0.06 0.00 1.11 1.57 -1.66 0.91 116.57 118.68 2ja6 h LYS 422 Ca 0.63 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.34 2ja6 h LYS 422 Cb 2.22 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.55 2ja6 h LYS 422 CO -0.13 0.80 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.29 2ja6 h LYS 423 N 0.04 0.00 0.06 3.15 3.64 0.40 0.25 116.57 124.11 2ja6 h LYS 423 Ca -0.02 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.09 2ja6 h LYS 423 Cb 1.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2ja6 h LYS 423 CO 0.11 0.04 -1.38 1.25 -2.27 0.00 0.00 179.45 177.19 2ja6 h LEU 424 N 0.00 0.20 -0.06 5.20 5.85 -0.89 -3.30 115.31 122.32 2ja6 h LEU 424 Ca -0.00 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2ja6 h LEU 424 Cb 0.80 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2ja6 h LEU 424 CO 0.00 1.23 -0.00 0.74 -0.34 0.00 0.00 178.44 180.07 2ja6 h THR 425 N 0.04 1.26 -0.45 1.05 2.02 -0.26 -3.04 112.91 113.52 2ja6 h THR 425 Ca -0.17 -0.79 -0.30 0.00 0.77 0.00 0.00 66.41 65.92 2ja6 h THR 425 Cb 1.94 1.67 -0.13 0.00 -1.74 0.00 0.00 68.15 69.89 2ja6 h THR 425 CO 0.14 0.22 0.39 2.29 0.37 0.00 0.00 175.52 178.92 2ja6 n LYS 426 N -4.86 1.74 0.00 6.66 2.85 0.03 -2.54 118.16 122.03 2ja6 n LYS 426 Ca -0.07 -1.47 0.00 0.00 -1.05 0.00 0.00 58.31 55.72 2ja6 n LYS 426 Cb 0.19 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 2ja6 n LYS 426 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2ja6 n ASP 427 N 0.31 3.55 0.24 -5.58 8.00 -1.17 -4.53 116.55 117.36 2ja6 n ASP 427 Ca 0.28 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.87 2ja6 n ASP 427 Cb 0.64 0.18 0.58 0.00 -0.02 0.00 0.00 41.12 42.50 2ja6 n ASP 427 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2ja6 h ILE 428 N 0.00 0.81 -0.02 0.53 2.04 -1.38 -2.20 117.51 117.29 2ja6 h ILE 428 Ca 0.00 -0.77 -0.18 0.00 1.00 0.00 0.00 64.86 64.91 2ja6 h ILE 428 Cb 0.79 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2ja6 h ILE 428 CO 0.00 0.19 -0.78 0.15 0.00 0.00 0.00 178.15 177.71 2ja6 h PHE 429 N 0.00 0.23 -0.01 1.37 3.57 -1.79 -3.05 116.94 117.26 2ja6 h PHE 429 Ca -0.00 -0.12 -0.16 0.00 3.53 0.00 0.00 57.97 61.23 2ja6 h PHE 429 Cb 0.45 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2ja6 h PHE 429 CO 0.00 0.88 -0.73 0.00 -2.23 0.00 0.00 178.31 176.23 2ja6 h ARG 430 N 0.10 0.04 0.09 1.11 3.08 -1.64 -3.02 114.38 114.14 2ja6 h ARG 430 Ca -0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2ja6 h ARG 430 Cb 1.36 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2ja6 h ARG 430 CO 0.12 0.75 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.80 2ja6 h TYR 431 N 0.03 -0.11 -0.68 3.04 3.20 -1.44 -2.70 116.97 118.30 2ja6 h TYR 431 Ca -0.01 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2ja6 h TYR 431 Cb 1.28 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.56 2ja6 h TYR 431 CO 0.01 0.24 0.24 0.52 -1.64 0.00 0.00 178.16 177.52 2ja6 h MET 432 N -0.48 1.05 -0.79 1.82 2.86 -1.63 0.24 114.93 118.00 2ja6 h MET 432 Ca -0.01 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.44 2ja6 h MET 432 Cb 0.40 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 2ja6 h MET 432 CO 0.02 0.89 0.52 1.96 1.06 0.00 0.00 176.91 181.36 2ja6 h GLN 433 N 0.99 1.00 0.00 1.72 4.20 -1.58 -1.18 115.11 120.26 2ja6 h GLN 433 Ca 0.22 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.70 2ja6 h GLN 433 Cb 0.26 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2ja6 h GLN 433 CO -0.01 0.66 -1.32 0.00 -0.67 0.00 0.00 178.83 177.49 2ja6 h ARG 434 N 1.03 0.00 0.02 1.46 3.08 -1.15 -3.27 114.38 115.54 2ja6 h ARG 434 Ca 0.30 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 2ja6 h ARG 434 Cb -0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.01 2ja6 h ARG 434 CO -0.08 0.35 -0.26 1.15 -1.07 0.00 0.00 179.97 180.06 2ja6 h THR 435 N 0.00 1.62 0.00 2.04 2.02 -0.38 -3.12 112.91 115.09 2ja6 h THR 435 Ca -0.15 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 64.87 2ja6 h THR 435 Cb 1.60 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 71.04 2ja6 h THR 435 CO 0.05 0.58 0.00 0.58 0.37 0.00 0.00 175.52 177.11 2ja6 h VAL 436 N -0.64 0.00 -0.95 3.16 2.07 -1.40 -3.51 116.25 114.99 2ja6 h VAL 436 Ca -0.04 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.40 2ja6 h VAL 436 Cb 1.10 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2ja6 h VAL 436 CO 0.05 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.94 2ja6 h GLU 437 N 0.00 1.25 -2.55 1.57 5.08 -1.59 -3.51 114.58 114.82 2ja6 h GLU 437 Ca 0.00 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 2ja6 h GLU 437 Cb 0.12 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2ja6 h GLU 437 CO 0.00 0.82 0.76 1.47 -1.00 0.00 0.00 179.01 181.06 2ja6 n LEU 446 N -4.42 4.54 0.00 1.33 -0.00 -1.26 -5.12 117.00 112.07 2ja6 n LEU 446 Ca 0.11 -2.73 0.00 0.00 -0.00 0.00 0.00 56.01 53.38 2ja6 n LEU 446 Cb 0.01 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.33 2ja6 n LEU 446 CO 0.37 1.12 0.00 0.00 -0.00 0.00 0.00 177.39 178.88 2ja6 n ALA 447 N 3.01 0.00 -3.52 1.47 0.00 -1.26 -4.98 120.51 115.23 2ja6 n ALA 447 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 2ja6 n ALA 447 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2ja6 n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ja6 s ILE 448 N -2.80 5.00 -0.57 0.00 1.01 -1.26 -4.76 121.20 117.83 2ja6 s ILE 448 Ca 0.00 -3.67 -0.28 0.00 0.00 0.00 0.00 60.65 56.70 2ja6 s ILE 448 Cb 0.00 -4.06 -0.29 0.00 0.01 0.00 0.00 42.46 38.12 2ja6 s ILE 448 CO 0.00 -1.12 1.84 -3.20 0.00 0.00 0.00 174.94 172.46 2ja6 n ASN 449 N 2.51 1.40 -0.17 3.58 5.15 -1.26 -4.68 115.26 121.80 2ja6 n ASN 449 Ca 0.22 -2.53 0.00 0.00 -0.60 0.00 0.00 54.58 51.67 2ja6 n ASN 449 Cb 0.38 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 2ja6 n ASN 449 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ja6 n ALA 450 N 13.49 1.28 0.79 5.20 0.00 -1.26 -1.49 120.51 138.51 2ja6 n ALA 450 Ca 0.45 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.00 2ja6 n ALA 450 Cb 0.44 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 19.00 2ja6 n ALA 450 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ja6 n LYS 451 N -0.16 0.14 -0.03 0.00 4.81 -1.26 -2.94 118.16 118.72 2ja6 n LYS 451 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2ja6 n LYS 451 Cb 0.00 -1.55 -0.07 0.00 0.02 0.00 0.00 35.03 33.44 2ja6 n LYS 451 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2ja6 h THR 452 N 0.00 1.24 0.17 3.15 2.02 -1.66 -2.72 112.91 115.10 2ja6 h THR 452 Ca 0.00 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 2ja6 h THR 452 Cb 0.61 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2ja6 h THR 452 CO 0.00 0.22 -0.08 0.40 0.37 0.00 0.00 175.52 176.43 2ja6 h ILE 453 N -0.06 0.77 -0.85 3.11 2.04 -1.82 -2.74 117.51 117.96 2ja6 h ILE 453 Ca 0.03 -1.11 0.16 0.00 1.00 0.00 0.00 64.86 64.95 2ja6 h ILE 453 Cb 0.33 1.30 -0.16 0.00 -0.74 0.00 0.00 36.82 37.56 2ja6 h ILE 453 CO 0.00 0.20 -0.25 0.74 0.00 0.00 0.00 178.15 178.85 2ja6 h THR 454 N -0.89 0.13 0.44 -0.27 2.02 -1.69 -2.14 112.91 110.51 2ja6 h THR 454 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2ja6 h THR 454 Cb 0.51 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2ja6 h THR 454 CO 0.04 0.00 -0.21 0.77 0.37 0.00 0.00 175.52 176.49 2ja6 h SER 455 N -0.02 -0.50 -0.99 4.18 4.64 -1.58 -3.13 113.55 116.15 2ja6 h SER 455 Ca 0.39 0.02 0.31 0.00 -0.47 0.00 0.00 61.79 62.03 2ja6 h SER 455 Cb 0.62 0.13 -0.18 0.00 -0.31 0.00 0.00 62.40 62.66 2ja6 h SER 455 CO -0.88 -0.22 0.16 1.23 -0.87 0.00 0.00 176.83 176.25 2ja6 h GLY 456 N -0.87 1.51 0.81 -0.77 0.00 -1.28 0.54 103.07 102.99 2ja6 h GLY 456 Ca -0.06 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.37 2ja6 h GLY 456 CO 0.10 -0.58 0.16 1.41 0.00 0.00 0.00 176.54 177.63 2ja6 h LEU 457 N 0.02 0.23 0.32 3.11 3.38 -1.46 -2.05 115.31 118.85 2ja6 h LEU 457 Ca 0.66 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.64 2ja6 h LEU 457 Cb 1.48 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 2ja6 h LEU 457 CO -0.88 0.17 -0.21 0.11 0.09 0.00 0.00 178.44 177.72 2ja6 h LYS 458 N 0.34 -0.48 -0.61 1.13 1.57 0.08 -2.12 116.57 116.48 2ja6 h LYS 458 Ca 0.15 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.08 2ja6 h LYS 458 Cb 0.07 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.38 2ja6 h LYS 458 CO -0.11 -0.32 -0.15 0.98 -0.57 0.00 0.00 179.45 179.28 2ja6 n TYR 459 N -3.61 0.22 0.00 -1.35 9.36 -0.51 0.39 117.16 121.66 2ja6 n TYR 459 Ca -0.06 0.74 0.00 0.00 3.32 0.00 0.00 57.90 61.90 2ja6 n TYR 459 Cb 0.21 -0.85 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 2ja6 n TYR 459 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2ja6 n ALA 460 N -3.77 -0.02 0.00 2.98 0.00 -0.78 -1.42 120.51 117.50 2ja6 n ALA 460 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2ja6 n ALA 460 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2ja6 n ALA 460 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ja6 n LEU 461 N -0.59 0.00 -0.09 0.00 4.32 -0.22 -0.34 117.00 120.08 2ja6 n LEU 461 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 2ja6 n LEU 461 Cb 0.00 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.67 2ja6 n LEU 461 CO 0.00 0.00 -1.07 0.00 -1.22 0.00 0.00 177.39 175.10 2ja6 n ALA 462 N -0.80 1.57 -0.06 -1.18 0.00 0.16 -4.79 120.51 115.42 2ja6 n ALA 462 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 53.44 52.20 2ja6 n ALA 462 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 2ja6 n ALA 462 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2ja6 n THR 463 N -2.67 1.15 0.00 0.00 -1.04 0.54 -5.01 114.28 107.24 2ja6 n THR 463 Ca -0.29 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2ja6 n THR 463 Cb 1.05 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 2ja6 n THR 463 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ja6 n GLY 464 N 2.12 1.88 3.56 3.41 0.00 -0.62 -4.76 105.19 110.78 2ja6 n GLY 464 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2ja6 n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ja6 s ASN 465 N -1.44 5.35 0.00 1.61 0.02 -1.26 -3.68 114.94 115.54 2ja6 s ASN 465 Ca 0.00 -0.57 0.00 0.00 -1.02 0.00 0.00 52.86 51.27 2ja6 s ASN 465 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.71 2ja6 s ASN 465 CO 0.00 -2.51 0.66 1.87 0.02 0.00 0.00 177.10 177.14 2ja6 n TRP 466 N 13.02 0.00 -0.51 2.20 -0.00 -1.26 -4.24 117.44 126.66 2ja6 n TRP 466 Ca 0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.76 2ja6 n TRP 466 Cb 0.48 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.31 31.61 2ja6 n TRP 466 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2ja6 n GLY 467 N -0.70 0.49 7.00 5.87 0.00 -1.26 -4.78 105.19 111.81 2ja6 n GLY 467 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2ja6 n GLY 467 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ja6 n GLU 468 N 4.38 0.00 0.00 1.61 1.02 -1.26 -4.40 120.64 121.99 2ja6 n GLU 468 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2ja6 n GLU 468 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.56 2ja6 n GLU 468 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2ja6 n GLN 469 N 14.00 0.00 -0.12 3.49 6.02 -1.26 -4.92 117.38 134.59 2ja6 n GLN 469 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 2ja6 n GLN 469 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 2ja6 n GLN 469 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2ja6 n LYS 470 N 0.00 -0.24 -0.71 -1.09 5.02 -1.26 -3.60 118.16 116.28 2ja6 n LYS 470 Ca 0.00 0.16 -0.25 0.00 -2.02 0.00 0.00 58.31 56.20 2ja6 n LYS 470 Cb 0.00 -0.30 -0.03 0.00 -0.02 0.00 0.00 35.03 34.68 2ja6 n LYS 470 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ja6 n LYS 471 N -0.72 1.51 -3.62 1.97 5.02 -1.26 -4.74 118.16 116.31 2ja6 n LYS 471 Ca 0.00 -1.37 -0.09 0.00 -2.02 0.00 0.00 58.31 54.82 2ja6 n LYS 471 Cb 0.05 -2.49 -0.07 0.00 -0.02 0.00 0.00 35.03 32.51 2ja6 n LYS 471 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ja6 s ALA 472 N 4.21 -1.97 -2.26 7.82 0.00 -1.24 -4.92 121.76 123.40 2ja6 s ALA 472 Ca 0.39 1.80 0.22 0.00 0.00 0.00 0.00 51.96 54.37 2ja6 s ALA 472 Cb 0.10 -1.28 0.87 0.00 0.00 0.00 0.00 23.12 22.80 2ja6 s ALA 472 CO 0.03 -0.25 1.61 -1.33 0.00 0.00 0.00 175.76 175.82 2ja6 n MET 473 N 1.84 1.60 0.00 0.00 2.81 -1.26 -4.74 117.12 117.37 2ja6 n MET 473 Ca -0.12 -0.90 0.00 0.00 -1.81 0.00 0.00 57.70 54.87 2ja6 n MET 473 Cb 0.56 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 2ja6 n MET 473 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2ja6 n SER 474 N 0.12 0.00 -3.06 7.83 3.41 -1.26 -4.46 113.62 116.20 2ja6 n SER 474 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2ja6 n SER 474 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2ja6 n SER 474 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ja6 n SER 475 N -0.75 -0.01 -3.99 4.04 3.41 -1.26 -4.91 113.62 110.15 2ja6 n SER 475 Ca 0.00 -0.04 -0.31 0.00 -0.26 0.00 0.00 58.87 58.26 2ja6 n SER 475 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 2ja6 n SER 475 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ja6 s ARG 476 N -0.13 1.82 -0.08 4.33 1.70 -1.26 -4.93 118.95 120.40 2ja6 s ARG 476 Ca 0.00 -1.18 -0.30 0.00 -0.47 0.00 0.00 55.73 53.78 2ja6 s ARG 476 Cb 0.00 -2.73 -0.02 0.00 -0.57 0.00 0.00 34.95 31.63 2ja6 s ARG 476 CO 0.00 -0.62 1.10 0.00 -1.08 0.00 0.00 175.30 174.70 2ja6 s ALA 477 N 1.26 3.45 0.00 7.88 0.00 -1.26 -4.15 121.76 128.94 2ja6 s ALA 477 Ca -0.06 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2ja6 s ALA 477 Cb -0.19 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2ja6 s ALA 477 CO -0.06 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2ja6 n GLY 478 N 3.23 1.82 3.74 0.00 0.00 -1.24 -4.99 105.19 107.76 2ja6 n GLY 478 Ca 0.10 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2ja6 n GLY 478 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ja6 n VAL 479 N 0.00 3.08 -2.60 1.61 0.31 -1.26 -4.24 118.33 115.24 2ja6 n VAL 479 Ca 0.00 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.82 2ja6 n VAL 479 Cb 0.00 -1.73 -0.01 0.00 -0.91 0.00 0.00 33.84 31.20 2ja6 n VAL 479 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2ja6 n SER 480 N -0.36 -6.73 0.00 4.52 2.88 -0.88 -3.81 113.62 109.23 2ja6 n SER 480 Ca 0.07 1.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 2ja6 n SER 480 Cb 0.42 -4.98 0.00 0.00 -0.75 0.00 0.00 64.21 58.90 2ja6 n SER 480 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ja6 n GLN 481 N 0.75 3.86 -3.97 -1.46 6.02 -0.55 -4.21 117.38 117.83 2ja6 n GLN 481 Ca -0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.61 2ja6 n GLN 481 Cb 0.07 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.19 2ja6 n GLN 481 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2ja6 s VAL 482 N 1.82 2.69 -0.07 5.09 1.01 -1.26 -1.66 120.40 128.02 2ja6 s VAL 482 Ca 0.00 -1.50 -0.29 0.00 0.00 0.00 0.00 61.98 60.18 2ja6 s VAL 482 Cb 0.00 -2.57 -0.14 0.00 0.00 0.00 0.00 36.38 33.67 2ja6 s VAL 482 CO 0.00 -0.10 0.83 -0.11 0.00 0.00 0.00 175.10 175.72 2ja6 n LEU 483 N 4.55 0.18 -4.56 3.92 7.94 -0.44 -4.79 117.00 123.80 2ja6 n LEU 483 Ca -0.13 0.82 -0.40 0.00 -1.11 0.00 0.00 56.01 55.19 2ja6 n LEU 483 Cb 0.43 -0.64 -0.03 0.00 0.53 0.00 0.00 43.42 43.71 2ja6 n LEU 483 CO 0.24 -1.18 1.46 0.20 -1.11 0.00 0.00 177.39 177.00 2ja6 s ASN 484 N 0.45 5.62 -0.64 1.96 -0.87 -1.26 -4.86 114.94 115.34 2ja6 s ASN 484 Ca 0.66 0.21 -0.02 0.00 -1.57 0.00 0.00 52.86 52.14 2ja6 s ASN 484 Cb -0.93 -2.54 0.35 0.00 -0.02 0.00 0.00 41.25 38.12 2ja6 s ASN 484 CO 0.44 -2.13 2.10 0.54 -2.57 0.00 0.00 177.10 175.48 2ja6 n ARG 485 N 9.11 2.55 -0.03 -0.60 3.00 -1.26 -3.12 116.66 126.30 2ja6 n ARG 485 Ca 0.15 -3.01 -0.00 0.00 -0.01 0.00 0.00 57.85 54.99 2ja6 n ARG 485 Cb 0.51 -2.17 -0.00 0.00 0.00 0.00 0.00 32.46 30.80 2ja6 n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 2ja6 h TYR 486 N 2.26 -0.01 -3.89 -1.55 -1.99 -1.93 -3.46 116.97 106.41 2ja6 h TYR 486 Ca 0.53 -0.00 -0.20 0.00 2.00 0.00 0.00 58.73 61.06 2ja6 h TYR 486 Cb 0.62 0.00 -0.24 0.00 2.00 0.00 0.00 36.73 39.11 2ja6 h TYR 486 CO 1.28 -0.00 -0.71 0.99 -0.00 0.00 0.00 178.16 179.71 2ja6 s THR 487 N -1.45 0.11 0.12 -2.88 2.01 -1.26 -4.42 115.64 107.87 2ja6 s THR 487 Ca -0.00 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.16 2ja6 s THR 487 Cb 0.00 -0.20 -0.08 0.00 0.01 0.00 0.00 72.50 72.24 2ja6 s THR 487 CO 0.00 -0.29 1.45 0.22 -0.69 0.00 0.00 174.62 175.31 2ja6 h TYR 488 N 5.22 -1.49 -0.97 4.92 3.20 -1.76 0.49 116.97 126.58 2ja6 h TYR 488 Ca -0.29 0.09 0.32 0.00 3.14 0.00 0.00 58.73 61.98 2ja6 h TYR 488 Cb 1.21 0.72 -0.17 0.00 1.54 0.00 0.00 36.73 40.04 2ja6 h TYR 488 CO 0.56 -0.37 0.32 0.66 -1.64 0.00 0.00 178.16 177.70 2ja6 h SER 489 N -0.20 0.04 0.67 -2.11 4.64 -1.88 0.86 113.55 115.58 2ja6 h SER 489 Ca 0.09 0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.62 2ja6 h SER 489 Cb 0.43 0.31 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 2ja6 h SER 489 CO -0.62 -0.30 -0.32 -1.28 -0.87 0.00 0.00 176.83 173.44 2ja6 h SER 490 N 0.11 -0.76 -0.93 4.97 0.87 -0.38 -1.87 113.55 115.56 2ja6 h SER 490 Ca 0.69 -0.00 0.20 0.00 -1.23 0.00 0.00 61.79 61.45 2ja6 h SER 490 Cb 1.58 0.20 -0.18 0.00 -0.44 0.00 0.00 62.40 63.56 2ja6 h SER 490 CO -0.76 -0.48 -0.17 0.74 -0.53 0.00 0.00 176.83 175.63 2ja6 h THR 491 N -1.00 0.08 0.06 2.23 2.02 0.36 0.17 112.91 116.83 2ja6 h THR 491 Ca -0.09 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 2ja6 h THR 491 Cb 0.72 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2ja6 h THR 491 CO 0.15 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.93 2ja6 h LEU 492 N 0.01 -0.10 -0.71 2.58 3.38 -1.21 -3.01 115.31 116.25 2ja6 h LEU 492 Ca 0.47 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.52 2ja6 h LEU 492 Cb 0.79 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 2ja6 h LEU 492 CO -0.93 -0.06 -0.39 -0.24 0.09 0.00 0.00 178.44 176.91 2ja6 n SER 493 N -2.40 -0.69 0.17 -0.43 2.88 -0.18 0.15 113.62 113.12 2ja6 n SER 493 Ca -0.01 1.25 0.08 0.00 -1.33 0.00 0.00 58.87 58.86 2ja6 n SER 493 Cb 0.04 -0.19 0.44 0.00 -0.75 0.00 0.00 64.21 63.75 2ja6 n SER 493 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2ja6 h HIS 494 N 0.00 0.00 0.05 0.66 -0.00 -0.66 -0.24 115.15 114.96 2ja6 h HIS 494 Ca 0.14 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.19 2ja6 h HIS 494 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.69 2ja6 h HIS 494 CO -0.71 0.00 -1.79 -0.07 -0.00 0.00 0.00 177.93 175.36 2ja6 h LEU 495 N 0.00 0.17 -3.16 0.26 3.38 0.14 -3.32 115.31 112.78 2ja6 h LEU 495 Ca 0.00 -0.36 -0.29 0.00 0.09 0.00 0.00 57.88 57.31 2ja6 h LEU 495 Cb 0.44 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 40.97 2ja6 h LEU 495 CO 0.00 1.32 0.38 0.54 0.09 0.00 0.00 178.44 180.77 2ja6 n ARG 496 N -3.22 1.71 -3.41 1.13 1.74 -0.11 -4.91 116.66 109.59 2ja6 n ARG 496 Ca -0.22 -1.64 -0.38 0.00 -0.77 0.00 0.00 57.85 54.84 2ja6 n ARG 496 Cb 1.05 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 30.79 2ja6 n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2ja6 s ARG 497 N -1.82 4.06 0.12 5.56 3.52 -1.18 -2.56 118.95 126.64 2ja6 s ARG 497 Ca 0.31 0.50 0.05 0.00 -0.13 0.00 0.00 55.73 56.47 2ja6 s ARG 497 Cb 0.26 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 2ja6 s ARG 497 CO 0.05 0.59 0.01 0.99 -0.81 0.00 0.00 175.30 176.13 2ja6 s THR 498 N -0.81 3.97 0.22 4.11 2.01 0.97 -1.99 115.64 124.14 2ja6 s THR 498 Ca 0.25 -1.11 0.02 0.00 0.31 0.00 0.00 61.69 61.17 2ja6 s THR 498 Cb -0.17 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 2ja6 s THR 498 CO 0.14 0.05 0.05 0.21 -0.69 0.00 0.00 174.62 174.38 2ja6 s ASN 499 N -2.52 1.27 -0.21 3.53 2.47 0.86 -3.02 114.94 117.32 2ja6 s ASN 499 Ca 0.26 -1.29 -0.11 0.00 0.42 0.00 0.00 52.86 52.14 2ja6 s ASN 499 Cb -0.11 0.13 0.07 0.00 -1.45 0.00 0.00 41.25 39.89 2ja6 s ASN 499 CO 0.19 -0.65 0.50 -0.89 -3.72 0.00 0.00 177.10 172.53 2ja6 s THR 500 N -3.68 -0.08 0.05 -5.21 2.01 -1.19 -2.02 115.64 105.50 2ja6 s THR 500 Ca 0.32 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 62.11 2ja6 s THR 500 Cb 0.07 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 2ja6 s THR 500 CO 0.10 0.03 0.88 -2.16 -0.69 0.00 0.00 174.62 172.77 2ja6 s PRO 501 N 1.59 4.58 0.32 4.92 0.04 -1.26 -4.97 135.00 140.22 2ja6 s PRO 501 Ca -0.09 1.26 0.07 0.00 0.04 0.00 0.00 61.00 62.28 2ja6 s PRO 501 Cb -0.08 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 2ja6 s PRO 501 CO -0.15 0.16 0.29 0.42 0.04 0.00 0.00 177.00 177.76 2ja6 s ILE 502 N 0.30 3.80 0.00 0.56 1.09 -1.26 -5.09 121.20 120.60 2ja6 s ILE 502 Ca 0.44 -1.33 0.00 0.00 -1.10 0.00 0.00 60.65 58.66 2ja6 s ILE 502 Cb -0.21 -3.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 2ja6 s ILE 502 CO 0.26 -0.21 0.00 2.29 -0.10 0.00 0.00 174.94 177.18 2ja6 n LYS 510 N -1.36 0.00 0.00 2.79 2.85 -1.26 -5.28 118.16 115.89 2ja6 n LYS 510 Ca -0.03 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2ja6 n LYS 510 Cb 0.59 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.97 2ja6 n LYS 510 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 2ja6 h PRO 511 N 0.00 -0.00 -1.05 -1.58 0.11 -1.98 -2.83 132.00 124.67 2ja6 h PRO 511 Ca 0.00 0.00 0.42 0.00 0.11 0.00 0.00 66.00 66.53 2ja6 h PRO 511 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 30.94 2ja6 h PRO 511 CO 0.00 -0.00 0.59 0.00 -0.21 0.00 0.00 178.00 178.38 2ja6 h ARG 512 N -0.00 0.01 -6.36 1.05 3.08 -1.83 -3.42 114.38 106.91 2ja6 h ARG 512 Ca -0.00 -0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2ja6 h ARG 512 Cb 0.00 -0.00 0.22 0.00 0.08 0.00 0.00 29.97 30.27 2ja6 h ARG 512 CO -0.00 0.01 -1.13 0.94 -1.07 0.00 0.00 179.97 178.72 2ja6 n GLN 513 N -5.18 -0.04 -3.39 0.04 -0.06 -1.07 -4.52 117.38 103.16 2ja6 n GLN 513 Ca 0.38 0.01 -0.40 0.00 -2.00 0.00 0.00 57.00 54.99 2ja6 n GLN 513 Cb 1.31 -1.41 -0.09 0.00 -4.06 0.00 0.00 30.24 25.99 2ja6 n GLN 513 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2ja6 s LEU 514 N 3.41 4.24 0.48 1.69 2.96 -1.26 -5.06 118.68 125.14 2ja6 s LEU 514 Ca 0.51 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2ja6 s LEU 514 Cb -0.25 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 2ja6 s LEU 514 CO 0.72 -0.27 0.75 -2.28 -1.32 0.00 0.00 176.35 173.95 2ja6 s HIS 515 N 2.06 3.38 -0.01 5.38 5.65 -1.26 -5.01 115.29 125.48 2ja6 s HIS 515 Ca 0.14 0.55 -0.25 0.00 0.25 0.00 0.00 55.06 55.75 2ja6 s HIS 515 Cb -0.16 -2.36 -0.18 0.00 -1.18 0.00 0.00 32.58 28.70 2ja6 s HIS 515 CO 0.11 -0.38 1.20 -0.91 -0.65 0.00 0.00 174.74 174.11 2ja6 h ASN 516 N 0.24 -0.14 -0.71 9.88 -0.26 -1.97 -2.62 115.58 120.00 2ja6 h ASN 516 Ca -0.47 -0.35 0.21 0.00 -0.56 0.00 0.00 56.30 55.13 2ja6 h ASN 516 Cb 1.23 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 38.50 2ja6 h ASN 516 CO 0.60 0.30 0.67 0.71 -1.06 0.00 0.00 177.43 178.65 2ja6 h THR 517 N -0.62 0.34 0.00 2.81 1.35 -1.95 0.74 112.91 115.57 2ja6 h THR 517 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2ja6 h THR 517 Cb 0.48 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2ja6 h THR 517 CO 0.03 0.00 -0.02 0.45 -0.25 0.00 0.00 175.52 175.73 2ja6 h HIS 518 N 0.00 0.00 -1.79 4.73 3.86 -1.81 -3.43 115.15 116.71 2ja6 h HIS 518 Ca 0.34 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.88 2ja6 h HIS 518 Cb 1.67 0.00 0.07 0.00 1.06 0.00 0.00 27.41 30.21 2ja6 h HIS 518 CO 0.00 0.02 0.27 1.87 0.86 0.00 0.00 177.93 180.94 2ja6 n TRP 519 N -3.59 1.24 0.00 2.45 -0.00 0.26 -1.64 117.44 116.15 2ja6 n TRP 519 Ca -0.03 0.71 0.00 0.00 -0.00 0.00 0.00 57.50 58.18 2ja6 n TRP 519 Cb 0.11 -2.27 0.00 0.00 -0.00 0.00 0.00 31.31 29.15 2ja6 n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2ja6 n GLY 520 N 2.09 0.99 0.15 5.87 0.00 -1.26 -4.61 105.19 108.41 2ja6 n GLY 520 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2ja6 n GLY 520 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ja6 h LEU 521 N 0.00 0.83 -8.78 0.99 3.38 -1.71 -3.40 115.31 106.61 2ja6 h LEU 521 Ca 0.00 -0.92 -0.60 0.00 0.09 0.00 0.00 57.88 56.46 2ja6 h LEU 521 Cb 0.00 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 40.27 2ja6 h LEU 521 CO 0.00 1.72 -0.83 -0.69 0.09 0.00 0.00 178.44 178.73 2ja6 s VAL 522 N -2.60 1.92 0.42 1.22 1.01 -0.65 -1.41 120.40 120.31 2ja6 s VAL 522 Ca -0.10 -1.69 -0.24 0.00 0.00 0.00 0.00 61.98 59.96 2ja6 s VAL 522 Cb 0.04 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 2ja6 s VAL 522 CO 0.94 -0.06 1.09 0.00 0.00 0.00 0.00 175.10 177.07 2ja6 h PRO 524 N 2.33 0.15 0.01 0.00 0.13 -1.90 -3.41 132.00 129.31 2ja6 h PRO 524 Ca -0.49 -0.26 -0.34 0.00 -0.87 0.00 0.00 66.00 64.04 2ja6 h PRO 524 Cb 1.23 0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 2ja6 h PRO 524 CO 0.62 0.94 -2.06 0.00 -0.23 0.00 0.00 178.00 177.27 2ja6 n ALA 525 N -2.65 1.44 -2.51 -0.56 0.00 -1.26 -4.82 120.51 110.14 2ja6 n ALA 525 Ca -0.17 -1.00 -0.40 0.00 0.00 0.00 0.00 53.44 51.87 2ja6 n ALA 525 Cb 1.04 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 2ja6 n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ja6 s GLU 526 N -2.55 3.31 -0.09 0.00 2.12 -1.26 -3.85 118.70 116.38 2ja6 s GLU 526 Ca -0.11 -0.58 -0.20 0.00 0.36 0.00 0.00 54.97 54.44 2ja6 s GLU 526 Cb 0.07 -4.74 0.05 0.00 0.26 0.00 0.00 34.13 29.77 2ja6 s GLU 526 CO 0.81 -2.26 0.48 -0.08 -0.54 0.00 0.00 175.26 173.67 2ja6 s THR 527 N 5.78 0.02 0.49 -1.70 -1.32 -1.26 -4.13 115.64 113.52 2ja6 s THR 527 Ca 0.43 -0.16 -0.23 0.00 -1.21 0.00 0.00 61.69 60.51 2ja6 s THR 527 Cb -0.05 -0.75 -0.07 0.00 -1.51 0.00 0.00 72.50 70.13 2ja6 s THR 527 CO 0.04 -0.09 1.35 -2.16 -2.21 0.00 0.00 174.62 171.55 2ja6 s PRO 528 N -0.67 3.46 0.41 7.08 0.04 -1.26 -4.89 135.00 139.17 2ja6 s PRO 528 Ca -0.08 2.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.99 2ja6 s PRO 528 Cb -0.03 -2.45 -0.11 0.00 0.04 0.00 0.00 34.50 31.96 2ja6 s PRO 528 CO 0.04 -0.93 0.91 -1.21 0.04 0.00 0.00 177.00 175.85 2ja6 s GLU 529 N -2.68 4.19 1.57 4.56 2.02 -1.26 -4.23 118.70 122.87 2ja6 s GLU 529 Ca 0.66 1.03 0.00 0.00 0.02 0.00 0.00 54.97 56.68 2ja6 s GLU 529 Cb -0.40 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.60 2ja6 s GLU 529 CO 0.49 0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.18 2ja6 n GLY 530 N -0.58 0.76 4.69 -1.39 0.00 -1.26 -4.67 105.19 102.75 2ja6 n GLY 530 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2ja6 n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ja6 n GLN 531 N 0.00 0.00 -2.14 1.61 10.64 -1.26 -0.52 117.38 125.71 2ja6 n GLN 531 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2ja6 n GLN 531 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2ja6 n GLN 531 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ja6 n ALA 532 N 6.01 5.78 -2.64 2.61 0.00 -1.26 -4.95 120.51 126.06 2ja6 n ALA 532 Ca 0.00 -4.18 -0.39 0.00 0.00 0.00 0.00 53.44 48.87 2ja6 n ALA 532 Cb 0.00 -3.03 -0.07 0.00 0.00 0.00 0.00 19.45 16.34 2ja6 n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja6 n GLY 534 N 4.12 1.05 0.09 0.00 0.00 -1.26 -4.66 105.19 104.52 2ja6 n GLY 534 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 2ja6 n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ja6 n LEU 535 N 0.00 0.66 -4.43 0.99 4.77 -1.25 -4.20 117.00 113.54 2ja6 n LEU 535 Ca 0.00 0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 55.93 2ja6 n LEU 535 Cb 0.00 0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.12 2ja6 n LEU 535 CO 0.00 0.24 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.26 2ja6 s VAL 536 N -2.83 3.77 0.19 4.08 1.01 -1.26 -3.18 120.40 122.17 2ja6 s VAL 536 Ca -0.05 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2ja6 s VAL 536 Cb 0.08 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2ja6 s VAL 536 CO 0.82 0.45 -0.12 -0.54 0.00 0.00 0.00 175.10 175.71 2ja6 s LYS 537 N 0.89 1.25 -0.13 2.72 1.02 -1.17 -4.49 119.74 119.83 2ja6 s LYS 537 Ca 0.00 -1.55 0.01 0.00 0.02 0.00 0.00 55.97 54.45 2ja6 s LYS 537 Cb -0.14 -0.95 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 2ja6 s LYS 537 CO 0.02 0.14 -0.16 -0.80 -0.92 0.00 0.00 175.35 173.63 2ja6 s ASN 538 N -3.27 2.66 0.40 2.83 0.01 -1.26 -0.02 114.94 116.29 2ja6 s ASN 538 Ca 0.21 -0.48 -0.25 0.00 -0.71 0.00 0.00 52.86 51.63 2ja6 s ASN 538 Cb 0.01 -1.19 -0.11 0.00 0.41 0.00 0.00 41.25 40.37 2ja6 s ASN 538 CO 0.05 -0.00 1.05 0.18 -1.51 0.00 0.00 177.10 176.86 2ja6 n LEU 539 N 4.42 2.71 0.00 0.60 4.77 -1.06 -0.75 117.00 127.69 2ja6 n LEU 539 Ca -0.18 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 2ja6 n LEU 539 Cb 0.51 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2ja6 n LEU 539 CO 0.23 -1.35 0.00 -1.20 -1.33 0.00 0.00 177.39 173.74 2ja6 n SER 540 N 0.56 -0.80 -0.07 -1.43 7.64 -0.50 -4.48 113.62 114.54 2ja6 n SER 540 Ca 0.09 -0.06 -0.19 0.00 1.01 0.00 0.00 58.87 59.72 2ja6 n SER 540 Cb 0.38 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.46 2ja6 n SER 540 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ja6 h LEU 541 N 0.00 0.07 -0.48 -3.43 3.38 -1.19 -3.39 115.31 110.26 2ja6 h LEU 541 Ca 0.00 -0.74 -0.14 0.00 0.09 0.00 0.00 57.88 57.08 2ja6 h LEU 541 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2ja6 h LEU 541 CO 0.00 1.34 -0.30 0.24 0.09 0.00 0.00 178.44 179.81 2ja6 h MET 542 N -0.88 0.94 -6.33 1.13 2.86 -1.87 -3.47 114.93 107.31 2ja6 h MET 542 Ca -0.21 -0.44 -0.59 0.00 -2.06 0.00 0.00 59.70 56.40 2ja6 h MET 542 Cb 1.27 -0.01 0.17 0.00 0.06 0.00 0.00 31.60 33.10 2ja6 h MET 542 CO -0.09 1.10 -0.64 -1.13 1.06 0.00 0.00 176.91 177.21 2ja6 n SER 543 N -4.08 -1.88 -3.25 1.22 3.41 -1.26 -4.70 113.62 103.08 2ja6 n SER 543 Ca -0.01 0.72 -0.16 0.00 -0.26 0.00 0.00 58.87 59.16 2ja6 n SER 543 Cb 0.50 -1.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.33 2ja6 n SER 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ja6 s ILE 545 N -3.14 1.42 0.13 0.00 1.01 -1.26 -2.33 121.20 117.03 2ja6 s ILE 545 Ca 0.34 -0.69 -0.34 0.00 0.00 0.00 0.00 60.65 59.96 2ja6 s ILE 545 Cb 0.00 -1.23 -0.14 0.00 0.01 0.00 0.00 42.46 41.11 2ja6 s ILE 545 CO 0.23 0.41 1.59 -1.54 0.00 0.00 0.00 174.94 175.63 2ja6 n SER 546 N 3.31 3.06 0.02 3.58 3.41 0.19 -4.87 113.62 122.32 2ja6 n SER 546 Ca -0.19 1.07 -0.05 0.00 -0.26 0.00 0.00 58.87 59.45 2ja6 n SER 546 Cb 0.53 -1.41 -0.11 0.00 -0.26 0.00 0.00 64.21 62.96 2ja6 n SER 546 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2ja6 h VAL 547 N 3.77 0.88 0.00 -3.33 3.04 -1.90 -2.23 116.25 116.49 2ja6 h VAL 547 Ca -0.45 -2.56 0.00 0.00 -1.01 0.00 0.00 66.70 62.67 2ja6 h VAL 547 Cb 1.26 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.91 2ja6 h VAL 547 CO 0.89 0.50 0.00 0.61 -1.01 0.00 0.00 177.57 178.56 2ja6 n GLY 548 N 1.44 2.17 0.00 3.17 0.00 -1.26 -4.66 105.19 106.06 2ja6 n GLY 548 Ca -0.10 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2ja6 n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ja6 n THR 549 N 2.32 0.00 -4.80 2.61 -1.04 -1.05 -4.98 114.28 107.33 2ja6 n THR 549 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 2ja6 n THR 549 Cb 0.00 -0.32 -0.13 0.00 -1.82 0.00 0.00 70.33 68.06 2ja6 n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ja6 s ASP 550 N 0.02 3.75 -0.04 8.00 -1.08 -1.26 -4.93 116.67 121.13 2ja6 s ASP 550 Ca 0.00 -0.38 -0.15 0.00 -0.52 0.00 0.00 52.55 51.50 2ja6 s ASP 550 Cb 0.00 -0.63 -0.09 0.00 -1.46 0.00 0.00 42.92 40.75 2ja6 s ASP 550 CO 0.00 0.29 0.63 1.55 0.52 0.00 0.00 175.17 178.15 2ja6 h PRO 551 N 4.86 -0.51 -0.68 4.34 0.13 -2.00 -3.40 132.00 134.74 2ja6 h PRO 551 Ca -0.47 0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2ja6 h PRO 551 Cb 1.15 0.12 -0.09 0.00 0.13 0.00 0.00 31.00 32.31 2ja6 h PRO 551 CO 0.48 -0.32 -0.39 -1.33 -0.23 0.00 0.00 178.00 176.21 2ja6 n MET 552 N -5.13 -0.28 0.00 0.86 2.81 -1.26 0.24 117.12 114.36 2ja6 n MET 552 Ca -0.07 1.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.85 2ja6 n MET 552 Cb 0.21 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2ja6 n MET 552 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2ja6 n PRO 553 N -4.87 0.00 0.00 0.03 -0.04 -1.26 0.97 135.00 129.83 2ja6 n PRO 553 Ca 0.02 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2ja6 n PRO 553 Cb 0.19 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 2ja6 n PRO 553 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2ja6 n ILE 554 N -0.98 0.00 -0.11 0.52 5.41 0.14 -4.23 119.36 120.11 2ja6 n ILE 554 Ca 0.00 -0.45 -0.24 0.00 1.00 0.00 0.00 62.75 63.05 2ja6 n ILE 554 Cb 0.03 1.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.84 2ja6 n ILE 554 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2ja6 n ILE 555 N -0.90 1.56 -0.25 1.39 5.41 0.27 -3.00 119.36 123.85 2ja6 n ILE 555 Ca 0.00 -0.26 -0.03 0.00 1.00 0.00 0.00 62.75 63.46 2ja6 n ILE 555 Cb 0.00 -1.90 0.15 0.00 -0.71 0.00 0.00 39.64 37.18 2ja6 n ILE 555 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2ja6 h THR 556 N -0.81 1.23 -0.17 1.39 2.02 -0.49 -2.54 112.91 113.55 2ja6 h THR 556 Ca -0.50 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 2ja6 h THR 556 Cb 1.54 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2ja6 h THR 556 CO -0.25 0.27 0.04 0.15 0.37 0.00 0.00 175.52 176.11 2ja6 h PHE 557 N 1.07 0.29 0.30 3.16 -0.00 -1.73 -3.29 116.94 116.74 2ja6 h PHE 557 Ca 0.27 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 58.19 2ja6 h PHE 557 Cb 0.08 -0.08 -0.00 0.00 -0.00 0.00 0.00 35.95 35.94 2ja6 h PHE 557 CO 0.01 0.41 -0.20 -0.07 -0.00 0.00 0.00 178.31 178.45 2ja6 h LEU 558 N 0.09 -0.53 -0.78 0.59 3.38 -1.38 -2.74 115.31 113.95 2ja6 h LEU 558 Ca 0.05 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.28 2ja6 h LEU 558 Cb 0.26 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2ja6 h LEU 558 CO 0.00 -0.30 1.13 -1.54 0.09 0.00 0.00 178.44 177.82 2ja6 n SER 559 N -3.55 0.00 -2.07 -0.43 3.41 -0.99 0.19 113.62 110.18 2ja6 n SER 559 Ca -0.06 0.68 -0.09 0.00 -0.26 0.00 0.00 58.87 59.14 2ja6 n SER 559 Cb 0.20 -0.20 0.29 0.00 -0.26 0.00 0.00 64.21 64.25 2ja6 n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ja6 n GLU 560 N -3.00 3.55 0.00 4.33 1.02 -1.03 -4.23 120.64 121.27 2ja6 n GLU 560 Ca 0.18 -3.09 0.00 0.00 -0.02 0.00 0.00 57.16 54.23 2ja6 n GLU 560 Cb 1.37 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2ja6 n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2ja6 n TRP 561 N -0.29 0.00 0.00 -0.32 7.02 0.50 -5.01 117.44 119.34 2ja6 n TRP 561 Ca 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.93 2ja6 n TRP 561 Cb 1.45 0.02 0.00 0.00 -2.42 0.00 0.00 31.31 30.36 2ja6 n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2ja6 n GLY 562 N 0.00 -0.56 3.53 6.99 0.00 -1.22 -4.94 105.19 109.00 2ja6 n GLY 562 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ja6 n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ja6 s MET 563 N 0.00 3.24 -0.51 1.61 0.00 -1.25 -4.31 119.30 118.08 2ja6 s MET 563 Ca 0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 55.69 55.13 2ja6 s MET 563 Cb 0.00 -4.15 -0.01 0.00 0.00 0.00 0.00 34.83 30.66 2ja6 s MET 563 CO 0.00 -1.95 1.73 -1.21 0.00 0.00 0.00 175.02 173.59 2ja6 s GLU 564 N 5.12 3.02 0.29 4.11 2.02 -0.64 -4.62 118.70 128.00 2ja6 s GLU 564 Ca 0.33 0.85 -0.26 0.00 0.02 0.00 0.00 54.97 55.91 2ja6 s GLU 564 Cb -0.10 -4.26 -0.15 0.00 0.10 0.00 0.00 34.13 29.71 2ja6 s GLU 564 CO 0.16 -2.26 0.57 -0.35 0.02 0.00 0.00 175.26 173.40 2ja6 n PRO 565 N 8.79 0.40 -0.03 0.39 -0.04 -1.26 -2.48 135.00 140.77 2ja6 n PRO 565 Ca 0.19 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.87 2ja6 n PRO 565 Cb 0.50 -1.28 0.46 0.00 -0.04 0.00 0.00 33.50 33.14 2ja6 n PRO 565 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ja6 h LEU 566 N 1.08 0.42 -0.92 1.53 5.85 -1.89 -2.87 115.31 118.52 2ja6 h LEU 566 Ca -0.34 -0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.60 2ja6 h LEU 566 Cb 1.41 -0.10 -0.17 0.00 0.37 0.00 0.00 40.66 42.18 2ja6 h LEU 566 CO 0.55 0.29 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.55 2ja6 h GLU 567 N 0.49 0.03 -3.60 1.25 4.39 -1.89 -3.04 114.58 112.21 2ja6 h GLU 567 Ca 0.20 -0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.16 2ja6 h GLU 567 Cb 0.19 -0.01 -0.31 0.00 -0.10 0.00 0.00 28.75 28.53 2ja6 h GLU 567 CO -0.05 0.02 -0.04 -0.51 -1.16 0.00 0.00 179.01 177.27 2ja6 s ASP 568 N -5.13 6.19 -0.03 1.42 1.01 -1.08 -5.00 116.67 114.05 2ja6 s ASP 568 Ca -0.14 -3.08 0.06 0.00 0.71 0.00 0.00 52.55 50.10 2ja6 s ASP 568 Cb 0.26 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 42.14 2ja6 s ASP 568 CO 0.77 -0.39 -0.22 -0.47 0.21 0.00 0.00 175.17 175.08 2ja6 s TYR 569 N -0.42 1.99 -0.35 4.23 5.04 -1.15 -4.81 117.35 121.88 2ja6 s TYR 569 Ca 0.21 -0.44 -0.00 0.00 -2.44 0.00 0.00 57.07 54.40 2ja6 s TYR 569 Cb -0.13 -1.29 0.12 0.00 0.35 0.00 0.00 41.96 41.01 2ja6 s TYR 569 CO -0.08 -0.08 0.16 0.14 -1.34 0.00 0.00 175.55 174.36 2ja6 s VAL 570 N -0.39 0.72 0.00 3.14 -7.23 -1.26 -5.08 120.40 110.30 2ja6 s VAL 570 Ca 0.05 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2ja6 s VAL 570 Cb -0.10 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2ja6 s VAL 570 CO 0.00 -0.81 0.25 -0.81 -0.31 0.00 0.00 175.10 173.43 2ja6 n PRO 571 N 4.41 0.00 0.05 4.82 -0.04 -1.26 -1.61 135.00 141.37 2ja6 n PRO 571 Ca 0.03 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2ja6 n PRO 571 Cb 0.39 -0.48 0.34 0.00 -0.04 0.00 0.00 33.50 33.70 2ja6 n PRO 571 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2ja6 n HIS 572 N -0.88 0.30 0.07 0.54 1.44 -1.26 -2.10 115.22 113.33 2ja6 n HIS 572 Ca 0.00 0.13 -0.06 0.00 -2.01 0.00 0.00 57.72 55.78 2ja6 n HIS 572 Cb 0.00 -0.70 -0.10 0.00 0.12 0.00 0.00 29.99 29.31 2ja6 n HIS 572 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 2ja6 h GLN 573 N 0.00 0.00 -2.91 -1.40 4.15 -1.73 -3.37 115.11 109.84 2ja6 h GLN 573 Ca 0.00 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.81 2ja6 h GLN 573 Cb 0.22 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 27.50 2ja6 h GLN 573 CO 0.00 0.94 -0.73 -1.12 -1.93 0.00 0.00 178.83 175.99 2ja6 s SER 574 N -6.68 3.60 0.03 -0.69 0.01 -0.89 -5.02 113.70 104.06 2ja6 s SER 574 Ca 0.01 -3.15 -0.26 0.00 1.31 0.00 0.00 55.95 53.86 2ja6 s SER 574 Cb 0.10 -1.15 -0.17 0.00 0.21 0.00 0.00 66.02 65.01 2ja6 s SER 574 CO 0.81 -0.18 1.36 1.55 0.41 0.00 0.00 173.24 177.19 2ja6 h PRO 575 N 6.04 -0.42 -0.92 12.44 0.13 -1.72 -3.25 132.00 144.29 2ja6 h PRO 575 Ca 0.10 0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.11 2ja6 h PRO 575 Cb 0.86 0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.00 2ja6 h PRO 575 CO 0.55 -0.13 0.18 -0.25 -0.23 0.00 0.00 178.00 178.12 2ja6 n ASP 576 N -5.17 3.29 -4.69 1.44 8.00 -1.26 -4.95 116.55 113.20 2ja6 n ASP 576 Ca -0.10 -2.62 -0.52 0.00 0.71 0.00 0.00 54.79 52.27 2ja6 n ASP 576 Cb 0.25 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.67 2ja6 n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ja6 n ALA 577 N -0.04 0.41 -3.17 2.24 0.00 -1.23 -4.91 120.51 113.82 2ja6 n ALA 577 Ca 0.22 0.35 -0.45 0.00 0.00 0.00 0.00 53.44 53.56 2ja6 n ALA 577 Cb 0.90 -2.36 -0.00 0.00 0.00 0.00 0.00 19.45 17.99 2ja6 n ALA 577 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ja6 s THR 578 N 3.41 5.55 0.25 0.00 2.01 -0.91 -4.92 115.64 121.03 2ja6 s THR 578 Ca 0.93 -2.97 -0.31 0.00 0.31 0.00 0.00 61.69 59.66 2ja6 s THR 578 Cb -0.84 -4.72 -0.14 0.00 0.01 0.00 0.00 72.50 66.81 2ja6 s THR 578 CO 0.55 -1.36 1.25 -2.11 -0.69 0.00 0.00 174.62 172.27 2ja6 n ARG 579 N 4.09 1.69 -4.51 4.92 1.85 -1.25 -3.18 116.66 120.28 2ja6 n ARG 579 Ca 0.28 0.60 -0.34 0.00 -1.00 0.00 0.00 57.85 57.39 2ja6 n ARG 579 Cb 0.42 -2.15 -0.11 0.00 -1.05 0.00 0.00 32.46 29.57 2ja6 n ARG 579 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2ja6 s VAL 580 N -0.44 3.91 0.02 8.89 1.01 -0.39 -1.36 120.40 132.05 2ja6 s VAL 580 Ca 0.66 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.33 2ja6 s VAL 580 Cb -0.70 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2ja6 s VAL 580 CO 0.54 0.58 -0.23 -0.36 0.00 0.00 0.00 175.10 175.63 2ja6 s PHE 581 N -0.58 2.06 -0.05 5.22 0.40 0.32 -2.66 117.98 122.69 2ja6 s PHE 581 Ca 0.09 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 56.01 2ja6 s PHE 581 Cb -0.12 -1.27 0.04 0.00 0.51 0.00 0.00 43.02 42.18 2ja6 s PHE 581 CO 0.02 0.06 0.10 0.54 0.70 0.00 0.00 175.22 176.64 2ja6 s VAL 582 N -0.71 -0.13 -1.27 -0.44 0.11 -0.94 -0.18 120.40 116.83 2ja6 s VAL 582 Ca 0.09 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2ja6 s VAL 582 Cb -0.09 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2ja6 s VAL 582 CO 0.01 0.13 0.00 0.59 -3.33 0.00 0.00 175.10 172.49 2ja6 n ASN 583 N 4.79 -3.91 0.00 3.54 3.02 0.13 -1.47 115.26 121.37 2ja6 n ASN 583 Ca -0.15 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2ja6 n ASN 583 Cb 0.50 -3.44 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 2ja6 n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ja6 n GLY 584 N -0.58 0.75 3.28 7.41 0.00 -1.26 -4.95 105.19 109.83 2ja6 n GLY 584 Ca -0.15 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 2ja6 n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ja6 s VAL 585 N -2.00 1.65 -0.55 1.61 1.01 -0.54 -4.88 120.40 116.70 2ja6 s VAL 585 Ca 0.00 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.25 2ja6 s VAL 585 Cb 0.00 -1.52 0.08 0.00 0.00 0.00 0.00 36.38 34.94 2ja6 s VAL 585 CO 0.00 -0.09 0.68 0.86 0.00 0.00 0.00 175.10 176.55 2ja6 s TRP 586 N -1.23 3.00 -1.12 5.22 -0.11 -1.26 -2.22 118.94 121.22 2ja6 s TRP 586 Ca 0.06 -0.70 0.14 0.00 1.22 0.00 0.00 56.10 56.82 2ja6 s TRP 586 Cb -0.10 -3.78 0.59 0.00 -1.50 0.00 0.00 33.47 28.68 2ja6 s TRP 586 CO 0.04 -1.18 1.46 0.72 -4.62 0.00 0.00 176.95 173.37 2ja6 n HIS 587 N 6.34 1.26 0.00 5.86 8.25 -1.09 -4.85 115.22 130.99 2ja6 n HIS 587 Ca -0.07 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 2ja6 n HIS 587 Cb 0.44 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2ja6 n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ja6 n GLY 588 N 0.91 0.42 0.19 -1.41 0.00 -1.26 -3.93 105.19 100.11 2ja6 n GLY 588 Ca 0.21 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 2ja6 n GLY 588 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ja6 n VAL 589 N 0.57 0.00 -3.64 1.61 0.31 -1.03 -1.26 118.33 114.89 2ja6 n VAL 589 Ca 0.00 -0.14 -0.08 0.00 -0.01 0.00 0.00 64.34 64.11 2ja6 n VAL 589 Cb 0.00 0.06 -0.07 0.00 -0.91 0.00 0.00 33.84 32.92 2ja6 n VAL 589 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2ja6 s HIS 590 N -1.83 -0.50 0.00 3.52 5.04 -1.19 -1.61 115.29 118.71 2ja6 s HIS 590 Ca 0.02 1.17 0.00 0.00 -1.54 0.00 0.00 55.06 54.71 2ja6 s HIS 590 Cb 0.00 0.37 0.00 0.00 0.04 0.00 0.00 32.58 32.99 2ja6 s HIS 590 CO 0.01 -0.24 0.00 0.54 -2.34 0.00 0.00 174.74 172.71 2ja6 n ARG 591 N 2.53 2.95 -1.13 2.88 1.74 -1.26 -2.13 116.66 122.24 2ja6 n ARG 591 Ca -0.14 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.64 2ja6 n ARG 591 Cb 0.56 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.89 2ja6 n ARG 591 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2ja6 n ASN 592 N 0.00 0.19 0.03 0.55 2.85 -1.26 -4.72 115.26 112.90 2ja6 n ASN 592 Ca 0.00 0.12 0.11 0.00 -0.11 0.00 0.00 54.58 54.71 2ja6 n ASN 592 Cb 0.00 -0.69 -0.06 0.00 1.24 0.00 0.00 39.78 40.27 2ja6 n ASN 592 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2ja6 n PRO 593 N 6.35 0.46 -0.53 1.20 -0.04 -1.26 -4.28 135.00 136.90 2ja6 n PRO 593 Ca 0.50 -0.04 0.43 0.00 -0.04 0.00 0.00 63.50 64.35 2ja6 n PRO 593 Cb 0.02 -1.61 0.71 0.00 -0.04 0.00 0.00 33.50 32.58 2ja6 n PRO 593 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ja6 n ALA 594 N -2.02 1.49 -0.05 0.55 0.00 -1.26 0.11 120.51 119.33 2ja6 n ALA 594 Ca -0.00 0.81 -0.20 0.00 0.00 0.00 0.00 53.44 54.04 2ja6 n ALA 594 Cb 0.50 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 2ja6 n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja6 h ARG 595 N 0.00 0.10 -0.95 0.00 3.08 -1.97 -3.31 114.38 111.34 2ja6 h ARG 595 Ca 0.89 -0.17 0.29 0.00 0.07 0.00 0.00 59.98 61.06 2ja6 h ARG 595 Cb 3.06 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 33.02 2ja6 h ARG 595 CO -0.35 1.08 0.38 1.25 -1.07 0.00 0.00 179.97 181.26 2ja6 h LEU 596 N -0.70 0.20 0.00 3.04 5.85 0.65 -0.53 115.31 123.83 2ja6 h LEU 596 Ca -0.28 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2ja6 h LEU 596 Cb 1.45 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.71 2ja6 h LEU 596 CO -0.07 -0.18 0.00 0.80 -0.34 0.00 0.00 178.44 178.65 2ja6 n MET 597 N -5.18 0.00 0.00 1.25 1.56 0.57 -1.81 117.12 113.52 2ja6 n MET 597 Ca 0.27 0.33 0.00 0.00 -0.27 0.00 0.00 57.70 58.03 2ja6 n MET 597 Cb 0.86 -1.29 0.00 0.00 2.15 0.00 0.00 33.22 34.94 2ja6 n MET 597 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2ja6 n GLU 598 N -1.48 0.00 -0.02 2.12 2.13 -0.93 0.12 120.64 122.59 2ja6 n GLU 598 Ca 0.00 0.14 -0.17 0.00 0.66 0.00 0.00 57.16 57.79 2ja6 n GLU 598 Cb 0.00 -1.57 -0.14 0.00 0.27 0.00 0.00 31.44 30.01 2ja6 n GLU 598 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2ja6 n THR 599 N -1.04 1.68 0.01 6.31 -1.04 -0.25 -3.42 114.28 116.53 2ja6 n THR 599 Ca 0.00 -0.70 -0.18 0.00 -2.04 0.00 0.00 64.05 61.13 2ja6 n THR 599 Cb 0.07 -1.43 -0.11 0.00 -1.82 0.00 0.00 70.33 67.04 2ja6 n THR 599 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2ja6 h LEU 600 N 0.04 0.61 -1.26 -4.42 3.38 0.18 -2.75 115.31 111.08 2ja6 h LEU 600 Ca -0.40 -0.76 0.06 0.00 0.09 0.00 0.00 57.88 56.87 2ja6 h LEU 600 Cb 2.03 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.54 2ja6 h LEU 600 CO 0.07 1.29 0.53 0.03 0.09 0.00 0.00 178.44 180.45 2ja6 h ARG 601 N -0.01 0.88 -0.03 1.13 3.08 -1.30 0.29 114.38 118.42 2ja6 h ARG 601 Ca -0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2ja6 h ARG 601 Cb 1.39 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2ja6 h ARG 601 CO 0.14 0.58 0.00 2.41 -1.07 0.00 0.00 179.97 182.03 2ja6 n THR 602 N -4.48 0.03 -0.01 2.04 -1.04 -1.22 -2.17 114.28 107.44 2ja6 n THR 602 Ca 0.12 -0.17 -0.17 0.00 -2.04 0.00 0.00 64.05 61.80 2ja6 n THR 602 Cb 0.20 0.11 -0.14 0.00 -1.82 0.00 0.00 70.33 68.68 2ja6 n THR 602 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2ja6 n LEU 603 N -0.24 1.99 0.05 -4.42 -0.00 0.90 -4.08 117.00 111.20 2ja6 n LEU 603 Ca 0.20 0.28 -0.07 0.00 -0.00 0.00 0.00 56.01 56.41 2ja6 n LEU 603 Cb 0.25 -0.64 -0.05 0.00 -0.00 0.00 0.00 43.42 42.98 2ja6 n LEU 603 CO 0.16 0.69 0.23 -0.09 -0.00 0.00 0.00 177.39 178.38 2ja6 h ARG 604 N 0.05 -0.22 0.00 1.96 2.43 -1.22 -2.01 114.38 115.36 2ja6 h ARG 604 Ca -0.38 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2ja6 h ARG 604 Cb 2.03 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 2ja6 h ARG 604 CO 0.08 0.06 0.14 0.54 -1.51 0.00 0.00 179.97 179.28 2ja6 n ARG 605 N -4.92 0.00 -0.11 0.20 1.74 -0.92 0.16 116.66 112.81 2ja6 n ARG 605 Ca -0.05 0.10 -0.19 0.00 -0.77 0.00 0.00 57.85 56.94 2ja6 n ARG 605 Cb 0.20 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 29.91 2ja6 n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2ja6 n LYS 606 N -0.95 0.53 0.00 5.56 4.81 -1.24 -1.34 118.16 125.52 2ja6 n LYS 606 Ca 0.00 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2ja6 n LYS 606 Cb 0.14 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 33.79 2ja6 n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ja6 n GLY 607 N 2.12 0.64 0.21 3.14 0.00 0.41 -4.64 105.19 107.07 2ja6 n GLY 607 Ca -0.41 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2ja6 n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2ja6 h ASP 608 N 0.00 -0.39 -3.42 1.61 3.32 -1.53 -3.38 116.42 112.63 2ja6 h ASP 608 Ca 0.00 -0.06 -0.59 0.00 0.02 0.00 0.00 57.03 56.40 2ja6 h ASP 608 Cb 0.00 0.10 -0.10 0.00 0.22 0.00 0.00 39.33 39.56 2ja6 h ASP 608 CO 0.00 -0.19 0.10 -0.63 -1.72 0.00 0.00 179.24 176.80 2ja6 s ILE 609 N -5.63 5.03 -0.35 0.35 1.01 -0.95 -4.97 121.20 115.69 2ja6 s ILE 609 Ca -0.15 1.17 -0.41 0.00 0.00 0.00 0.00 60.65 61.26 2ja6 s ILE 609 Cb 0.04 -3.94 -0.16 0.00 0.01 0.00 0.00 42.46 38.41 2ja6 s ILE 609 CO 0.61 0.12 1.85 -3.20 0.00 0.00 0.00 174.94 174.32 2ja6 n ASN 610 N 4.99 1.97 0.21 3.58 2.85 -1.26 -4.24 115.26 123.36 2ja6 n ASN 610 Ca -0.02 0.93 0.01 0.00 -0.11 0.00 0.00 54.58 55.40 2ja6 n ASN 610 Cb 0.50 -1.09 0.05 0.00 1.24 0.00 0.00 39.78 40.48 2ja6 n ASN 610 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2ja6 h PRO 611 N 7.97 0.00 0.00 1.20 0.11 -1.85 -2.51 132.00 136.92 2ja6 h PRO 611 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2ja6 h PRO 611 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2ja6 h PRO 611 CO 0.99 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.87 2ja6 n GLU 612 N -1.99 0.00 -0.51 1.05 2.13 -1.26 -4.23 120.64 115.84 2ja6 n GLU 612 Ca -0.00 0.50 -0.16 0.00 0.66 0.00 0.00 57.16 58.16 2ja6 n GLU 612 Cb 0.77 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 31.29 2ja6 n GLU 612 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ja6 n VAL 613 N -1.99 0.00 -4.97 6.31 0.31 -0.95 -4.91 118.33 112.13 2ja6 n VAL 613 Ca 0.00 -0.20 -0.29 0.00 -0.01 0.00 0.00 64.34 63.83 2ja6 n VAL 613 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 2ja6 n VAL 613 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2ja6 s SER 614 N -0.41 2.94 -0.04 4.52 1.04 -0.56 -4.99 113.70 116.20 2ja6 s SER 614 Ca 0.23 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2ja6 s SER 614 Cb -0.20 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.66 2ja6 s SER 614 CO 0.27 0.26 -0.01 -0.04 0.98 0.00 0.00 173.24 174.70 2ja6 s MET 615 N -1.00 0.52 -0.07 4.02 -1.94 -1.26 -0.11 119.30 119.46 2ja6 s MET 615 Ca 0.10 0.04 0.02 0.00 -1.71 0.00 0.00 55.69 54.14 2ja6 s MET 615 Cb -0.10 -0.70 0.01 0.00 2.01 0.00 0.00 34.83 36.06 2ja6 s MET 615 CO 0.01 -0.16 -0.12 0.42 -0.01 0.00 0.00 175.02 175.16 2ja6 s ILE 616 N 1.22 1.15 -0.31 2.53 1.09 0.36 -4.89 121.20 122.35 2ja6 s ILE 616 Ca -0.07 -0.47 -0.09 0.00 -1.10 0.00 0.00 60.65 58.92 2ja6 s ILE 616 Cb -0.13 -1.06 -0.00 0.00 -1.06 0.00 0.00 42.46 40.20 2ja6 s ILE 616 CO -0.02 0.36 0.14 -0.60 -0.10 0.00 0.00 174.94 174.72 2ja6 s ARG 617 N 0.78 3.23 -1.09 2.79 3.52 -1.26 -0.31 118.95 126.62 2ja6 s ARG 617 Ca -0.12 -0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 54.66 2ja6 s ARG 617 Cb -0.15 -3.53 0.30 0.00 -1.56 0.00 0.00 34.95 30.00 2ja6 s ARG 617 CO 0.02 -0.45 1.62 -3.47 -0.81 0.00 0.00 175.30 172.22 2ja6 n ASP 618 N 4.96 6.64 0.00 -2.12 -0.08 -0.48 -4.91 116.55 120.55 2ja6 n ASP 618 Ca -0.14 -3.46 0.00 0.00 -1.51 0.00 0.00 54.79 49.68 2ja6 n ASP 618 Cb 0.49 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 42.69 2ja6 n ASP 618 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2ja6 n ILE 619 N 1.10 0.00 -0.49 5.18 5.41 -1.26 0.43 119.36 129.73 2ja6 n ILE 619 Ca 0.33 0.93 0.40 0.00 1.00 0.00 0.00 62.75 65.41 2ja6 n ILE 619 Cb 0.31 -1.24 0.70 0.00 -0.71 0.00 0.00 39.64 38.70 2ja6 n ILE 619 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2ja6 h ARG 620 N 0.00 0.07 0.00 0.38 3.08 -1.97 1.38 114.38 117.32 2ja6 h ARG 620 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ja6 h ARG 620 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2ja6 h ARG 620 CO 0.00 0.05 -1.08 -1.91 -1.07 0.00 0.00 179.97 175.96 2ja6 n GLU 621 N -4.41 0.08 -2.95 0.04 4.07 0.72 -5.02 120.64 113.16 2ja6 n GLU 621 Ca 0.37 -0.02 -0.00 0.00 -0.06 0.00 0.00 57.16 57.44 2ja6 n GLU 621 Cb 1.52 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 31.40 2ja6 n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2ja6 n LYS 622 N -1.59 -1.23 -3.71 5.31 5.02 0.47 -5.01 118.16 117.42 2ja6 n LYS 622 Ca 0.03 1.42 -0.14 0.00 -2.02 0.00 0.00 58.31 57.60 2ja6 n LYS 622 Cb 0.36 -5.46 -0.08 0.00 -0.02 0.00 0.00 35.03 29.83 2ja6 n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ja6 s GLU 623 N -3.02 0.76 -0.30 1.97 2.02 -1.20 -3.79 118.70 115.14 2ja6 s GLU 623 Ca 0.01 -0.09 0.03 0.00 0.02 0.00 0.00 54.97 54.93 2ja6 s GLU 623 Cb -0.00 0.34 0.08 0.00 0.10 0.00 0.00 34.13 34.65 2ja6 s GLU 623 CO 0.70 -0.22 -0.01 -1.17 0.02 0.00 0.00 175.26 174.58 2ja6 s LEU 624 N -1.30 3.76 -0.22 1.80 2.96 -0.47 -1.39 118.68 123.82 2ja6 s LEU 624 Ca -0.13 -1.73 -0.14 0.00 -0.22 0.00 0.00 54.13 51.91 2ja6 s LEU 624 Cb -0.04 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 2ja6 s LEU 624 CO 0.05 -0.31 0.33 -0.54 -1.32 0.00 0.00 176.35 174.56 2ja6 s LYS 625 N 1.12 4.12 -0.13 1.98 -0.14 0.58 0.12 119.74 127.38 2ja6 s LYS 625 Ca 0.02 0.04 -0.02 0.00 -1.36 0.00 0.00 55.97 54.66 2ja6 s LYS 625 Cb -0.19 -3.56 0.04 0.00 -1.68 0.00 0.00 37.83 32.44 2ja6 s LYS 625 CO -0.09 -0.05 0.01 0.42 -0.76 0.00 0.00 175.35 174.88 2ja6 s ILE 626 N 1.36 0.52 -0.01 2.17 1.01 0.74 0.14 121.20 127.13 2ja6 s ILE 626 Ca 0.15 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.62 2ja6 s ILE 626 Cb -0.15 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 2ja6 s ILE 626 CO 0.07 0.07 -0.14 -0.36 0.00 0.00 0.00 174.94 174.59 2ja6 s PHE 627 N 1.89 2.70 0.00 3.97 2.99 0.84 0.23 117.98 130.60 2ja6 s PHE 627 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 56.93 56.79 2ja6 s PHE 627 Cb -0.14 -1.58 0.00 0.00 0.00 0.00 0.00 43.02 41.30 2ja6 s PHE 627 CO -0.07 0.25 0.00 2.41 -0.00 0.00 0.00 175.22 177.81 2ja6 n THR 628 N 1.93 0.00 -0.73 0.64 -1.04 -1.26 -1.49 114.28 112.33 2ja6 n THR 628 Ca -0.16 -0.39 -0.24 0.00 -2.04 0.00 0.00 64.05 61.21 2ja6 n THR 628 Cb 0.52 0.91 -0.01 0.00 -1.82 0.00 0.00 70.33 69.93 2ja6 n THR 628 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2ja6 n ASP 629 N -1.02 -1.05 -4.56 8.00 -0.08 -1.26 -2.54 116.55 114.04 2ja6 n ASP 629 Ca 0.00 0.53 -0.40 0.00 -1.51 0.00 0.00 54.79 53.41 2ja6 n ASP 629 Cb 0.00 -0.49 -0.09 0.00 2.34 0.00 0.00 41.12 42.87 2ja6 n ASP 629 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ja6 s ALA 630 N -0.70 3.51 0.00 -1.67 0.00 -1.26 -4.32 121.76 117.32 2ja6 s ALA 630 Ca 0.33 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2ja6 s ALA 630 Cb -0.43 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2ja6 s ALA 630 CO 0.32 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2ja6 n GLY 631 N 4.91 0.61 3.81 0.00 0.00 -0.84 -4.83 105.19 108.85 2ja6 n GLY 631 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2ja6 n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ja6 s ARG 632 N 0.00 4.20 -0.18 1.61 0.52 -1.26 -0.72 118.95 123.12 2ja6 s ARG 632 Ca 0.00 0.75 -0.14 0.00 -0.52 0.00 0.00 55.73 55.81 2ja6 s ARG 632 Cb 0.00 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 2ja6 s ARG 632 CO 0.00 0.57 0.33 0.08 0.02 0.00 0.00 175.30 176.30 2ja6 s VAL 633 N -1.24 5.27 0.06 3.52 1.01 -1.26 -0.64 120.40 127.12 2ja6 s VAL 633 Ca 0.33 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.92 2ja6 s VAL 633 Cb -0.19 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2ja6 s VAL 633 CO 0.20 0.34 -0.05 -0.72 0.00 0.00 0.00 175.10 174.87 2ja6 s TYR 634 N 0.79 0.65 0.43 5.22 -0.85 -0.98 -3.52 117.35 119.08 2ja6 s TYR 634 Ca 0.17 -0.83 0.03 0.00 -0.52 0.00 0.00 57.07 55.92 2ja6 s TYR 634 Cb -0.14 -0.41 -0.03 0.00 0.38 0.00 0.00 41.96 41.77 2ja6 s TYR 634 CO 0.06 -0.21 0.09 -0.98 -1.52 0.00 0.00 175.55 172.98 2ja6 s ARG 635 N -3.10 1.98 0.03 -3.49 1.70 -1.06 -1.56 118.95 113.45 2ja6 s ARG 635 Ca 0.02 -2.22 0.00 0.00 -0.47 0.00 0.00 55.73 53.07 2ja6 s ARG 635 Cb 0.01 -0.90 -0.04 0.00 -0.57 0.00 0.00 34.95 33.45 2ja6 s ARG 635 CO -0.05 -0.42 0.11 -1.25 -1.08 0.00 0.00 175.30 172.62 2ja6 s PRO 636 N -3.77 3.11 0.02 3.89 0.04 -1.26 -1.63 135.00 135.41 2ja6 s PRO 636 Ca 0.20 -0.52 -0.04 0.00 0.04 0.00 0.00 61.00 60.68 2ja6 s PRO 636 Cb 0.03 -2.88 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 2ja6 s PRO 636 CO 0.12 0.62 0.07 -0.51 0.04 0.00 0.00 177.00 177.33 2ja6 s LEU 637 N -2.07 1.89 0.16 -3.56 1.43 -0.70 -4.56 118.68 111.26 2ja6 s LEU 637 Ca 0.27 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 2ja6 s LEU 637 Cb -0.12 0.46 -0.07 0.00 0.03 0.00 0.00 46.19 46.49 2ja6 s LEU 637 CO 0.19 -0.42 0.87 -0.36 0.23 0.00 0.00 176.35 176.86 2ja6 s PHE 638 N -2.04 3.89 0.17 0.29 2.99 0.20 -2.00 117.98 121.47 2ja6 s PHE 638 Ca -0.10 1.74 -0.08 0.00 0.00 0.00 0.00 56.93 58.49 2ja6 s PHE 638 Cb -0.05 -2.91 -0.06 0.00 0.00 0.00 0.00 43.02 40.00 2ja6 s PHE 638 CO -0.02 0.39 0.47 0.42 -0.00 0.00 0.00 175.22 176.47 2ja6 s ILE 639 N -0.71 5.03 -0.57 0.64 1.01 -1.09 0.12 121.20 125.62 2ja6 s ILE 639 Ca 0.41 0.35 0.06 0.00 0.00 0.00 0.00 60.65 61.46 2ja6 s ILE 639 Cb -0.24 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.61 2ja6 s ILE 639 CO 0.28 0.05 0.51 0.52 0.00 0.00 0.00 174.94 176.31 2ja6 n VAL 640 N 0.18 0.00 0.00 2.92 0.31 0.25 -2.50 118.33 119.49 2ja6 n VAL 640 Ca -0.02 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2ja6 n VAL 640 Cb 0.52 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.53 2ja6 n VAL 640 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ja6 n GLU 641 N -0.23 0.00 0.00 5.55 -0.58 -1.26 -1.90 120.64 122.21 2ja6 n GLU 641 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2ja6 n GLU 641 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 2ja6 n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ja6 n ASP 642 N 0.00 0.00 -3.66 1.62 5.75 -1.26 -4.03 116.55 114.97 2ja6 n ASP 642 Ca 0.00 0.25 -0.14 0.00 -0.01 0.00 0.00 54.79 54.89 2ja6 n ASP 642 Cb 0.00 -0.25 -0.04 0.00 -1.03 0.00 0.00 41.12 39.81 2ja6 n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ja6 n ASP 643 N -1.20 -0.13 -3.53 -1.12 8.00 -1.26 -4.47 116.55 112.84 2ja6 n ASP 643 Ca 0.00 -1.27 -0.29 0.00 0.71 0.00 0.00 54.79 53.94 2ja6 n ASP 643 Cb 0.09 -0.21 -0.15 0.00 -0.02 0.00 0.00 41.12 40.84 2ja6 n ASP 643 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ja6 s GLU 644 N 4.12 0.23 0.00 -1.24 -6.30 -1.26 -4.98 118.70 109.27 2ja6 s GLU 644 Ca 0.21 -0.63 0.06 0.00 -2.50 0.00 0.00 54.97 52.11 2ja6 s GLU 644 Cb 0.05 -1.18 0.36 0.00 0.00 0.00 0.00 34.13 33.35 2ja6 s GLU 644 CO 0.11 -1.04 0.89 -1.13 0.02 0.00 0.00 175.26 174.10 2ja6 n SER 645 N 5.10 0.00 -2.91 -1.70 3.41 -1.26 -3.06 113.62 113.20 2ja6 n SER 645 Ca -0.04 -0.10 -0.30 0.00 -0.26 0.00 0.00 58.87 58.18 2ja6 n SER 645 Cb 0.41 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 2ja6 n SER 645 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ja6 n LEU 646 N -1.07 5.13 0.00 1.04 4.77 -1.26 -5.05 117.00 120.56 2ja6 n LEU 646 Ca 0.04 -5.48 0.00 0.00 -0.03 0.00 0.00 56.01 50.55 2ja6 n LEU 646 Cb 0.03 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2ja6 n LEU 646 CO 0.04 2.25 0.00 0.61 -1.33 0.00 0.00 177.39 178.96 2ja6 n GLY 647 N -0.30 0.46 0.00 -0.72 0.00 -1.17 -5.08 105.19 98.37 2ja6 n GLY 647 Ca 0.37 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2ja6 n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2ja6 n HIS 648 N 3.84 0.00 -3.24 1.61 1.44 -1.26 -4.84 115.22 112.77 2ja6 n HIS 648 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 2ja6 n HIS 648 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 2ja6 n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2ja6 s LYS 649 N 2.02 3.84 -0.20 -1.40 2.47 -1.26 -4.36 119.74 120.84 2ja6 s LYS 649 Ca 0.00 0.40 -0.29 0.00 -1.56 0.00 0.00 55.97 54.52 2ja6 s LYS 649 Cb 0.00 -2.54 0.14 0.00 -1.46 0.00 0.00 37.83 33.96 2ja6 s LYS 649 CO 0.00 0.20 1.07 -2.00 0.16 0.00 0.00 175.35 174.78 2ja6 s GLU 650 N -3.10 0.49 0.04 4.03 2.56 -0.80 -4.91 118.70 117.01 2ja6 s GLU 650 Ca 0.50 0.21 -0.35 0.00 0.00 0.00 0.00 54.97 55.33 2ja6 s GLU 650 Cb -0.11 0.23 -0.14 0.00 2.00 0.00 0.00 34.13 36.12 2ja6 s GLU 650 CO 0.22 -0.14 1.65 1.28 -0.56 0.00 0.00 175.26 177.72 2ja6 n LEU 651 N 1.01 2.95 -0.05 2.70 4.77 -1.26 -4.12 117.00 123.00 2ja6 n LEU 651 Ca -0.09 1.05 0.02 0.00 -0.03 0.00 0.00 56.01 56.96 2ja6 n LEU 651 Cb 0.58 -1.35 0.35 0.00 -2.33 0.00 0.00 43.42 40.66 2ja6 n LEU 651 CO 0.12 -0.33 1.12 0.11 -1.33 0.00 0.00 177.39 177.08 2ja6 h LYS 652 N 6.85 0.64 -6.96 3.23 1.57 -1.77 -3.41 116.57 116.73 2ja6 h LYS 652 Ca -0.47 -0.06 -0.49 0.00 -1.87 0.00 0.00 60.65 57.76 2ja6 h LYS 652 Cb 1.28 -0.13 0.03 0.00 0.08 0.00 0.00 32.23 33.49 2ja6 h LYS 652 CO 0.90 0.48 0.44 0.08 -0.57 0.00 0.00 179.45 180.78 2ja6 s VAL 653 N -5.45 3.49 0.13 0.50 1.01 -1.26 -5.04 120.40 113.77 2ja6 s VAL 653 Ca -0.09 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.07 2ja6 s VAL 653 Cb 0.17 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2ja6 s VAL 653 CO 0.75 0.03 -0.05 -0.13 0.00 0.00 0.00 175.10 175.70 2ja6 s ARG 654 N -2.48 0.96 0.00 2.72 1.81 -1.26 -4.84 118.95 115.86 2ja6 s ARG 654 Ca 0.59 -1.42 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 2ja6 s ARG 654 Cb -0.25 -0.31 0.00 0.00 -0.45 0.00 0.00 34.95 33.94 2ja6 s ARG 654 CO 0.31 -0.03 0.43 1.17 -0.68 0.00 0.00 175.30 176.50 2ja6 n LYS 655 N -0.13 0.00 -0.11 3.54 4.81 -1.21 0.27 118.16 125.32 2ja6 n LYS 655 Ca -0.10 0.09 -0.23 0.00 -0.87 0.00 0.00 58.31 57.20 2ja6 n LYS 655 Cb 0.61 -1.60 -0.11 0.00 0.02 0.00 0.00 35.03 33.95 2ja6 n LYS 655 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ja6 n GLY 656 N -0.93 -0.76 0.27 3.14 0.00 -1.16 -2.91 105.19 102.86 2ja6 n GLY 656 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2ja6 n GLY 656 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2ja6 h HIS 657 N -1.00 -0.14 0.31 1.61 3.86 -0.51 0.13 115.15 119.42 2ja6 h HIS 657 Ca -0.42 0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 58.84 2ja6 h HIS 657 Cb 1.34 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.98 2ja6 h HIS 657 CO 0.04 -0.26 -0.25 0.82 0.86 0.00 0.00 177.93 179.14 2ja6 h ILE 658 N 0.07 0.00 0.00 2.45 2.04 -1.68 -0.41 117.51 119.99 2ja6 h ILE 658 Ca 0.40 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.26 2ja6 h ILE 658 Cb 0.68 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2ja6 h ILE 658 CO -0.69 0.00 0.04 0.00 0.00 0.00 0.00 178.15 177.50 2ja6 n ALA 659 N -2.48 0.96 0.95 1.87 0.00 -0.94 0.20 120.51 121.06 2ja6 n ALA 659 Ca -0.07 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.57 2ja6 n ALA 659 Cb 0.24 -1.07 0.14 0.00 0.00 0.00 0.00 19.45 18.76 2ja6 n ALA 659 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ja6 n LYS 660 N -1.81 0.03 -0.11 0.00 4.81 0.43 -3.25 118.16 118.27 2ja6 n LYS 660 Ca -0.01 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.24 2ja6 n LYS 660 Cb 0.05 -1.51 -0.07 0.00 0.02 0.00 0.00 35.03 33.52 2ja6 n LYS 660 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2ja6 n LEU 661 N -1.56 1.91 0.18 3.14 4.77 0.53 -4.16 117.00 121.81 2ja6 n LEU 661 Ca 0.05 0.40 0.11 0.00 -0.03 0.00 0.00 56.01 56.54 2ja6 n LEU 661 Cb 0.35 -0.84 0.61 0.00 -2.33 0.00 0.00 43.42 41.20 2ja6 n LEU 661 CO 0.37 0.15 0.86 0.24 -1.33 0.00 0.00 177.39 177.68 2ja6 h MET 662 N -1.00 0.00 -0.25 3.23 2.86 -0.88 0.96 114.93 119.86 2ja6 h MET 662 Ca -0.35 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.15 2ja6 h MET 662 Cb 1.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 2ja6 h MET 662 CO -0.21 0.00 -0.44 0.00 1.06 0.00 0.00 176.91 177.32 2ja6 h ALA 663 N 1.87 0.76 0.00 6.32 0.00 -1.71 -2.35 119.26 124.15 2ja6 h ALA 663 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2ja6 h ALA 663 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ja6 h ALA 663 CO 0.00 0.66 0.00 2.41 0.00 0.00 0.00 179.25 182.32 2ja6 n THR 664 N -4.01 0.47 0.13 0.00 -1.04 0.33 -3.36 114.28 106.79 2ja6 n THR 664 Ca -0.02 -0.22 -0.24 0.00 -2.04 0.00 0.00 64.05 61.53 2ja6 n THR 664 Cb 0.54 -0.57 -0.15 0.00 -1.82 0.00 0.00 70.33 68.33 2ja6 n THR 664 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2ja6 h GLU 665 N 0.00 0.57 -1.01 -2.82 5.08 -0.95 -3.30 114.58 112.16 2ja6 h GLU 665 Ca 0.00 -0.90 0.05 0.00 -1.00 0.00 0.00 59.36 57.52 2ja6 h GLU 665 Cb 0.68 0.32 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 2ja6 h GLU 665 CO 0.00 1.42 0.66 -0.92 -1.00 0.00 0.00 179.01 179.17 2ja6 h TYR 666 N 0.18 1.22 0.00 4.33 3.20 -1.46 -3.09 116.97 121.36 2ja6 h TYR 666 Ca -0.23 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.54 2ja6 h TYR 666 Cb 2.07 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 39.90 2ja6 h TYR 666 CO 0.13 0.67 0.23 1.04 -1.64 0.00 0.00 178.16 178.59 2ja6 n GLN 667 N -4.47 1.22 0.00 1.82 6.02 -1.24 -5.15 117.38 115.59 2ja6 n GLN 667 Ca 0.15 -0.65 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 2ja6 n GLN 667 Cb 0.14 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.55 2ja6 n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ja6 n ASP 668 N 2.85 0.00 0.00 1.08 8.00 -1.17 -5.07 116.55 122.24 2ja6 n ASP 668 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2ja6 n ASP 668 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 2ja6 n ASP 668 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2ja6 n GLU 678 N 0.00 0.86 -3.72 -1.24 0.28 -1.26 -5.14 120.64 110.42 2ja6 n GLU 678 Ca 0.00 -0.17 -0.36 0.00 -0.16 0.00 0.00 57.16 56.47 2ja6 n GLU 678 Cb 0.00 -0.58 -0.10 0.00 1.43 0.00 0.00 31.44 32.19 2ja6 n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2ja6 s TYR 679 N -0.17 3.43 0.00 -1.84 5.04 -1.26 -5.02 117.35 117.53 2ja6 s TYR 679 Ca 0.00 -2.67 0.00 0.00 -2.44 0.00 0.00 57.07 51.96 2ja6 s TYR 679 Cb 0.00 -3.21 0.00 0.00 0.35 0.00 0.00 41.96 39.10 2ja6 s TYR 679 CO 0.00 -0.86 0.00 0.25 -1.34 0.00 0.00 175.55 173.60 2ja6 n THR 680 N 3.62 0.00 -0.07 4.34 -2.24 -1.26 -4.82 114.28 113.85 2ja6 n THR 680 Ca 0.07 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.78 2ja6 n THR 680 Cb 0.38 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 2ja6 n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2ja6 h TRP 681 N 0.00 0.00 -0.89 4.78 2.91 -1.95 -3.29 115.95 117.51 2ja6 h TRP 681 Ca 0.00 0.00 0.26 0.00 1.13 0.00 0.00 58.89 60.28 2ja6 h TRP 681 Cb 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.61 2ja6 h TRP 681 CO 0.00 0.34 1.14 0.77 -1.03 0.00 0.00 178.44 179.66 2ja6 h SER 682 N -1.00 0.00 0.07 2.65 0.02 -1.96 1.61 113.55 114.94 2ja6 h SER 682 Ca -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2ja6 h SER 682 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2ja6 h SER 682 CO -0.03 0.00 -0.04 0.77 -1.14 0.00 0.00 176.83 176.39 2ja6 h SER 683 N 0.00 -0.08 0.00 3.07 4.64 -1.94 0.15 113.55 119.38 2ja6 h SER 683 Ca 0.42 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2ja6 h SER 683 Cb 2.69 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 64.80 2ja6 h SER 683 CO -0.00 0.58 0.10 0.18 -0.87 0.00 0.00 176.83 176.81 2ja6 n LEU 684 N -4.81 0.00 -0.11 5.97 4.77 0.54 -1.43 117.00 121.94 2ja6 n LEU 684 Ca -0.08 0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 56.09 2ja6 n LEU 684 Cb 0.30 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 2ja6 n LEU 684 CO 0.27 -0.37 -1.04 -0.11 -1.33 0.00 0.00 177.39 174.80 2ja6 n LEU 685 N -1.37 1.81 -0.10 2.23 7.94 -0.74 -2.18 117.00 124.61 2ja6 n LEU 685 Ca 0.00 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2ja6 n LEU 685 Cb 0.10 -0.73 0.00 0.00 0.53 0.00 0.00 43.42 43.32 2ja6 n LEU 685 CO 0.00 0.16 0.33 0.59 -1.11 0.00 0.00 177.39 177.36 2ja6 n ASN 686 N -4.24 0.14 -1.34 1.96 3.02 0.50 -1.50 115.26 113.81 2ja6 n ASN 686 Ca -0.34 -1.45 -0.04 0.00 -0.03 0.00 0.00 54.58 52.73 2ja6 n ASN 686 Cb 0.69 -0.07 0.11 0.00 -0.61 0.00 0.00 39.78 39.90 2ja6 n ASN 686 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ja6 n GLU 687 N -0.38 2.00 -3.73 3.52 1.02 -0.51 -4.70 120.64 117.86 2ja6 n GLU 687 Ca 0.00 -3.41 -0.15 0.00 -0.02 0.00 0.00 57.16 53.59 2ja6 n GLU 687 Cb 0.03 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 2ja6 n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ja6 n GLY 688 N -0.73 -0.23 0.01 0.62 0.00 -0.45 -4.78 105.19 99.62 2ja6 n GLY 688 Ca 0.24 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.36 2ja6 n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ja6 n LEU 689 N -2.26 0.00 -3.84 0.99 4.77 -1.12 -4.97 117.00 110.57 2ja6 n LEU 689 Ca -0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 2ja6 n LEU 689 Cb 0.19 0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.17 2ja6 n LEU 689 CO 0.25 0.03 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.33 2ja6 s VAL 690 N -2.11 -0.01 0.13 4.08 1.01 -0.93 -2.69 120.40 119.89 2ja6 s VAL 690 Ca -0.01 0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.12 2ja6 s VAL 690 Cb 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 2ja6 s VAL 690 CO 0.10 0.02 -0.25 -0.70 0.00 0.00 0.00 175.10 174.26 2ja6 s GLU 691 N 0.23 1.47 -0.90 2.72 2.12 -0.85 -4.63 118.70 118.87 2ja6 s GLU 691 Ca -0.02 -1.34 -0.17 0.00 0.36 0.00 0.00 54.97 53.80 2ja6 s GLU 691 Cb -0.03 -1.93 0.16 0.00 0.26 0.00 0.00 34.13 32.59 2ja6 s GLU 691 CO -0.01 0.45 1.01 0.71 -0.54 0.00 0.00 175.26 176.89 2ja6 s TYR 692 N -1.13 3.35 -0.38 5.30 4.12 -1.26 -1.72 117.35 125.63 2ja6 s TYR 692 Ca 0.15 -1.61 -0.21 0.00 0.02 0.00 0.00 57.07 55.41 2ja6 s TYR 692 Cb -0.10 -4.13 0.01 0.00 -1.52 0.00 0.00 41.96 36.22 2ja6 s TYR 692 CO 0.07 -1.32 0.69 0.42 0.02 0.00 0.00 175.55 175.43 2ja6 s ILE 693 N 1.80 4.82 0.00 2.71 1.01 -0.65 -4.82 121.20 126.07 2ja6 s ILE 693 Ca 0.28 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2ja6 s ILE 693 Cb -0.06 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2ja6 s ILE 693 CO -0.09 -0.42 0.00 -0.90 0.00 0.00 0.00 174.94 173.53 2ja6 n ASP 694 N 6.24 -0.10 0.08 3.58 5.75 -1.26 -2.58 116.55 128.26 2ja6 n ASP 694 Ca 0.00 -0.76 -0.16 0.00 -0.01 0.00 0.00 54.79 53.86 2ja6 n ASP 694 Cb 0.48 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.49 2ja6 n ASP 694 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ja6 h ALA 695 N -2.00 0.22 0.87 2.12 0.00 -1.93 -2.54 119.26 116.02 2ja6 h ALA 695 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 2ja6 h ALA 695 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ja6 h ALA 695 CO 0.00 0.81 -0.42 1.49 0.00 0.00 0.00 179.25 181.13 2ja6 h GLU 696 N 0.22 -1.13 -0.93 0.00 4.57 -1.91 -2.80 114.58 112.59 2ja6 h GLU 696 Ca -0.12 0.08 0.10 0.00 -1.18 0.00 0.00 59.36 58.24 2ja6 h GLU 696 Cb 1.73 0.26 -0.07 0.00 -0.16 0.00 0.00 28.75 30.51 2ja6 h GLU 696 CO 0.19 -0.75 0.60 1.49 -1.18 0.00 0.00 179.01 179.35 2ja6 h GLU 697 N -1.18 0.90 -1.11 1.92 4.81 -1.91 -0.57 114.58 117.45 2ja6 h GLU 697 Ca -0.12 -0.05 0.31 0.00 -0.13 0.00 0.00 59.36 59.36 2ja6 h GLU 697 Cb 0.90 -0.20 -0.10 0.00 0.63 0.00 0.00 28.75 29.98 2ja6 h GLU 697 CO 0.20 0.60 0.72 1.49 -0.73 0.00 0.00 179.01 181.28 2ja6 h GLU 698 N 0.93 0.29 -0.93 1.92 4.81 -1.20 0.24 114.58 120.64 2ja6 h GLU 698 Ca 0.44 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.82 2ja6 h GLU 698 Cb 0.42 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.63 2ja6 h GLU 698 CO -0.20 0.19 0.52 0.93 -0.73 0.00 0.00 179.01 179.73 2ja6 h GLU 699 N 0.30 0.68 -1.45 1.92 4.39 -0.88 -2.79 114.58 116.75 2ja6 h GLU 699 Ca 0.64 -0.04 -0.69 0.00 0.34 0.00 0.00 59.36 59.60 2ja6 h GLU 699 Cb 1.78 -0.15 -0.27 0.00 -0.10 0.00 0.00 28.75 30.01 2ja6 h GLU 699 CO -0.30 0.45 0.92 -1.13 -1.16 0.00 0.00 179.01 177.79 2ja6 n SER 700 N -4.82 7.55 -4.02 1.42 3.41 0.85 -4.95 113.62 113.07 2ja6 n SER 700 Ca 0.20 -3.76 -0.10 0.00 -0.26 0.00 0.00 58.87 54.96 2ja6 n SER 700 Cb 0.50 -1.03 -0.07 0.00 -0.26 0.00 0.00 64.21 63.35 2ja6 n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2ja6 s ILE 701 N -4.72 0.02 0.12 -1.33 -4.36 -1.05 -5.01 121.20 104.87 2ja6 s ILE 701 Ca 0.58 -1.50 0.11 0.00 -0.26 0.00 0.00 60.65 59.58 2ja6 s ILE 701 Cb 0.47 -2.14 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 2ja6 s ILE 701 CO -0.18 -0.09 -0.26 -0.22 0.24 0.00 0.00 174.94 174.43 2ja6 s LEU 702 N -3.03 2.32 -0.00 0.37 2.96 -1.26 -5.02 118.68 115.01 2ja6 s LEU 702 Ca 0.24 -0.74 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2ja6 s LEU 702 Cb 0.02 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.53 2ja6 s LEU 702 CO 0.07 0.16 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.56 2ja6 s ILE 703 N -1.07 0.51 -0.09 6.68 1.01 -1.26 -2.69 121.20 124.29 2ja6 s ILE 703 Ca 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 2ja6 s ILE 703 Cb -0.10 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 2ja6 s ILE 703 CO 0.06 0.14 0.13 0.00 0.00 0.00 0.00 174.94 175.27 2ja6 s ALA 704 N -0.16 3.81 0.00 9.38 0.00 -0.65 -4.98 121.76 129.16 2ja6 s ALA 704 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2ja6 s ALA 704 Cb -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2ja6 s ALA 704 CO -0.00 0.65 0.29 -0.12 0.00 0.00 0.00 175.76 176.57 2ja6 n MET 705 N 1.73 0.00 -3.19 0.00 1.56 -1.26 -1.77 117.12 114.19 2ja6 n MET 705 Ca -0.17 0.13 -0.39 0.00 -0.27 0.00 0.00 57.70 57.00 2ja6 n MET 705 Cb 0.54 -0.86 -0.06 0.00 2.15 0.00 0.00 33.22 35.00 2ja6 n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2ja6 s GLN 706 N -0.83 4.32 0.24 2.12 -0.21 -1.26 -3.88 119.66 120.16 2ja6 s GLN 706 Ca 0.00 0.78 -0.07 0.00 0.02 0.00 0.00 55.36 56.09 2ja6 s GLN 706 Cb 0.00 -3.32 0.26 0.00 1.00 0.00 0.00 33.01 30.94 2ja6 s GLN 706 CO 0.00 0.41 1.90 -1.00 -2.12 0.00 0.00 175.29 174.48 2ja6 h PRO 707 N 5.40 1.14 0.00 2.91 0.13 -1.87 -3.30 132.00 136.42 2ja6 h PRO 707 Ca -0.46 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2ja6 h PRO 707 Cb 1.20 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2ja6 h PRO 707 CO 0.68 0.76 0.00 -0.85 -0.23 0.00 0.00 178.00 178.36 2ja6 n GLU 708 N -4.49 0.00 0.00 0.86 0.28 -1.26 -4.40 120.64 111.63 2ja6 n GLU 708 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2ja6 n GLU 708 Cb 0.06 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.93 2ja6 n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ja6 n ASP 709 N 0.00 0.00 -1.95 -1.84 8.00 -1.26 -1.09 116.55 118.40 2ja6 n ASP 709 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 2ja6 n ASP 709 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2ja6 n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ja6 n LEU 710 N -0.06 6.12 0.12 0.64 4.77 -1.24 -4.36 117.00 122.99 2ja6 n LEU 710 Ca 0.00 -3.27 0.00 0.00 -0.03 0.00 0.00 56.01 52.71 2ja6 n LEU 710 Cb 0.00 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 2ja6 n LEU 710 CO 0.00 1.34 0.00 -0.62 -1.33 0.00 0.00 177.39 176.78 2ja6 n GLU 711 N 0.92 0.00 -0.09 3.23 -0.58 -0.25 -4.96 120.64 118.91 2ja6 n GLU 711 Ca 0.29 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.94 2ja6 n GLU 711 Cb 0.60 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.56 2ja6 n GLU 711 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2ja6 n PRO 712 N -3.14 -2.58 -0.33 3.49 -0.04 -1.26 -4.98 135.00 126.17 2ja6 n PRO 712 Ca 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 2ja6 n PRO 712 Cb 0.00 -0.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2ja6 n PRO 712 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ja6 n ALA 713 N -3.72 0.00 -3.64 0.55 0.00 -1.26 -5.07 120.51 107.38 2ja6 n ALA 713 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 2ja6 n ALA 713 Cb 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.49 2ja6 n ALA 713 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ja6 s GLU 714 N -0.54 0.55 -0.18 0.00 2.12 -1.26 -5.16 118.70 114.23 2ja6 s GLU 714 Ca 0.00 -0.97 -0.15 0.00 0.36 0.00 0.00 54.97 54.21 2ja6 s GLU 714 Cb 0.00 -1.64 -0.10 0.00 0.26 0.00 0.00 34.13 32.65 2ja6 s GLU 714 CO 0.00 -1.03 -0.07 0.00 -0.54 0.00 0.00 175.26 173.62 2ja6 n ALA 715 N 4.82 0.68 0.00 6.30 0.00 -1.26 -5.32 120.51 125.72 2ja6 n ALA 715 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2ja6 n ALA 715 Cb 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2ja6 n ALA 715 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ja6 n ASP 722 N -4.50 0.00 -4.84 0.00 8.00 -1.26 -5.38 116.55 108.57 2ja6 n ASP 722 Ca -0.21 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.92 2ja6 n ASP 722 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 2ja6 n ASP 722 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ja6 s VAL 723 N 0.00 5.43 -0.07 2.53 1.01 -1.26 -5.03 120.40 123.01 2ja6 s VAL 723 Ca 0.00 0.29 -0.36 0.00 0.00 0.00 0.00 61.98 61.91 2ja6 s VAL 723 Cb 0.00 -3.46 -0.14 0.00 0.00 0.00 0.00 36.38 32.78 2ja6 s VAL 723 CO 0.00 0.57 1.72 -0.67 0.00 0.00 0.00 175.10 176.71 2ja6 n ASP 724 N 2.35 2.86 0.00 3.32 -0.08 -1.26 -4.84 116.55 118.90 2ja6 n ASP 724 Ca -0.18 1.04 0.12 0.00 -1.51 0.00 0.00 54.79 54.26 2ja6 n ASP 724 Cb 0.54 -1.30 0.71 0.00 2.34 0.00 0.00 41.12 43.41 2ja6 n ASP 724 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2ja6 n PRO 725 N 5.14 0.63 -0.13 -0.67 -0.04 -1.26 -3.85 135.00 134.82 2ja6 n PRO 725 Ca 0.22 0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 63.42 2ja6 n PRO 725 Cb 0.23 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 2ja6 n PRO 725 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ja6 n ALA 726 N -1.10 1.28 -0.83 0.55 0.00 -1.26 -5.03 120.51 114.12 2ja6 n ALA 726 Ca 0.16 -1.06 -0.03 0.00 0.00 0.00 0.00 53.44 52.52 2ja6 n ALA 726 Cb 0.13 0.16 0.05 0.00 0.00 0.00 0.00 19.45 19.78 2ja6 n ALA 726 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ja6 n LYS 727 N -4.20 -0.30 0.00 0.00 5.02 -1.25 -4.98 118.16 112.46 2ja6 n LYS 727 Ca -0.52 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 55.53 2ja6 n LYS 727 Cb 0.87 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 2ja6 n LYS 727 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2ja6 n ARG 728 N -0.96 3.88 -3.22 1.97 1.85 -1.26 -5.07 116.66 113.85 2ja6 n ARG 728 Ca 0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.75 2ja6 n ARG 728 Cb 0.10 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.46 2ja6 n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2ja6 s ILE 729 N 0.07 -0.49 -0.01 8.89 1.01 -1.26 -5.06 121.20 124.34 2ja6 s ILE 729 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 60.65 59.37 2ja6 s ILE 729 Cb 0.00 -0.49 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 2ja6 s ILE 729 CO 0.00 -0.45 0.65 -0.13 0.00 0.00 0.00 174.94 175.01 2ja6 s ARG 730 N 1.18 4.38 0.00 2.79 0.52 -1.26 -5.07 118.95 121.50 2ja6 s ARG 730 Ca 0.22 0.82 0.00 0.00 -0.52 0.00 0.00 55.73 56.25 2ja6 s ARG 730 Cb -0.07 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 32.02 2ja6 s ARG 730 CO -0.06 0.27 0.00 0.28 0.02 0.00 0.00 175.30 175.81 2ja6 n VAL 731 N 3.03 0.00 -4.18 3.52 0.31 -1.26 -5.06 118.33 114.69 2ja6 n VAL 731 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.12 2ja6 n VAL 731 Cb 0.51 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.38 2ja6 n VAL 731 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2ja6 n SER 732 N 0.00 -0.95 -2.21 4.52 7.64 -1.26 -5.05 113.62 116.31 2ja6 n SER 732 Ca 0.00 -2.99 -0.30 0.00 1.01 0.00 0.00 58.87 56.59 2ja6 n SER 732 Cb 0.00 1.96 0.05 0.00 -1.01 0.00 0.00 64.21 65.21 2ja6 n SER 732 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ja6 n HIS 733 N -0.59 3.02 -0.51 1.43 1.44 -1.26 -4.93 115.22 113.82 2ja6 n HIS 733 Ca 0.05 -2.66 -0.20 0.00 -2.01 0.00 0.00 57.72 52.90 2ja6 n HIS 733 Cb 0.57 -0.93 -0.03 0.00 0.12 0.00 0.00 29.99 29.72 2ja6 n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ja6 n HIS 734 N -0.81 0.82 -3.63 -1.40 8.25 -1.26 -4.70 115.22 112.48 2ja6 n HIS 734 Ca 0.54 -1.28 -0.05 0.00 -0.26 0.00 0.00 57.72 56.67 2ja6 n HIS 734 Cb 0.79 -1.21 -0.05 0.00 1.12 0.00 0.00 29.99 30.64 2ja6 n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ja6 s ALA 735 N 4.55 -2.10 -0.34 -1.41 0.00 -1.26 -5.06 121.76 116.15 2ja6 s ALA 735 Ca 0.31 1.77 0.13 0.00 0.00 0.00 0.00 51.96 54.18 2ja6 s ALA 735 Cb 0.08 -1.44 0.46 0.00 0.00 0.00 0.00 23.12 22.22 2ja6 s ALA 735 CO 0.04 -0.21 1.08 2.41 0.00 0.00 0.00 175.76 179.07 2ja6 n THR 736 N 1.06 1.74 0.00 0.00 -1.04 -1.26 -4.75 114.28 110.02 2ja6 n THR 736 Ca -0.06 -3.78 0.00 0.00 -2.04 0.00 0.00 64.05 58.17 2ja6 n THR 736 Cb 0.58 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 2ja6 n THR 736 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2ja6 n THR 737 N -0.42 0.00 -1.03 12.58 -1.04 -1.26 -5.01 114.28 118.10 2ja6 n THR 737 Ca 0.24 -0.36 -0.47 0.00 -2.04 0.00 0.00 64.05 61.42 2ja6 n THR 737 Cb 0.80 1.00 -0.10 0.00 -1.82 0.00 0.00 70.33 70.21 2ja6 n THR 737 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2ja6 n PHE 738 N -0.73 0.88 0.07 -1.42 3.01 -1.26 -4.81 117.46 113.20 2ja6 n PHE 738 Ca 0.00 0.58 -0.21 0.00 1.01 0.00 0.00 57.45 58.83 2ja6 n PHE 738 Cb 0.00 -1.86 -0.15 0.00 -0.01 0.00 0.00 39.48 37.46 2ja6 n PHE 738 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2ja6 h THR 739 N 5.75 1.45 -3.06 4.37 1.35 -1.93 -3.41 112.91 117.43 2ja6 h THR 739 Ca -0.08 -2.58 -0.49 0.00 -0.55 0.00 0.00 66.41 62.72 2ja6 h THR 739 Cb 1.14 3.16 -0.14 0.00 -1.73 0.00 0.00 68.15 70.58 2ja6 h THR 739 CO 0.91 0.74 -0.56 -1.00 -0.25 0.00 0.00 175.52 175.36 2ja6 s HIS 740 N -2.47 1.77 -0.03 4.73 3.76 -1.10 0.84 115.29 122.80 2ja6 s HIS 740 Ca -0.13 -1.20 -0.10 0.00 -0.15 0.00 0.00 55.06 53.49 2ja6 s HIS 740 Cb 0.02 -1.11 0.01 0.00 1.11 0.00 0.00 32.58 32.61 2ja6 s HIS 740 CO 0.86 -0.26 0.22 0.00 -0.85 0.00 0.00 174.74 174.71 2ja6 s GLU 742 N -0.87 4.37 0.16 0.00 2.56 -0.73 0.59 118.70 124.79 2ja6 s GLU 742 Ca -0.10 1.91 -0.19 0.00 0.00 0.00 0.00 54.97 56.59 2ja6 s GLU 742 Cb -0.05 -3.33 0.08 0.00 2.00 0.00 0.00 34.13 32.83 2ja6 s GLU 742 CO 0.02 -0.36 1.65 0.82 -0.56 0.00 0.00 175.26 176.83 2ja6 h ILE 743 N 4.45 0.49 -1.54 -3.70 1.08 -1.87 -3.44 117.51 112.98 2ja6 h ILE 743 Ca -0.41 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.14 2ja6 h ILE 743 Cb 1.21 0.49 -0.27 0.00 -3.07 0.00 0.00 36.82 35.18 2ja6 h ILE 743 CO 0.84 0.00 0.47 -2.28 -0.69 0.00 0.00 178.15 176.49 2ja6 s HIS 744 N -6.16 -0.47 0.31 1.37 2.46 -1.26 -4.74 115.29 106.80 2ja6 s HIS 744 Ca -0.14 1.07 0.02 0.00 0.47 0.00 0.00 55.06 56.48 2ja6 s HIS 744 Cb 0.14 0.37 0.52 0.00 -0.13 0.00 0.00 32.58 33.47 2ja6 s HIS 744 CO 0.70 -0.23 1.87 -1.00 -2.47 0.00 0.00 174.74 173.61 2ja6 h PRO 745 N 4.59 0.70 0.00 2.88 0.13 -1.87 -2.71 132.00 135.71 2ja6 h PRO 745 Ca -0.28 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2ja6 h PRO 745 Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ja6 h PRO 745 CO 0.14 0.64 0.10 -1.13 -0.23 0.00 0.00 178.00 177.52 2ja6 n SER 746 N -4.30 0.00 -0.76 1.44 3.41 -1.26 -0.84 113.62 111.31 2ja6 n SER 746 Ca 0.03 0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 2ja6 n SER 746 Cb 0.21 -0.08 0.31 0.00 -0.26 0.00 0.00 64.21 64.39 2ja6 n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2ja6 n MET 747 N -0.91 2.00 0.01 4.33 2.81 -1.02 -3.49 117.12 120.85 2ja6 n MET 747 Ca 0.00 -1.50 0.13 0.00 -1.81 0.00 0.00 57.70 54.52 2ja6 n MET 747 Cb 0.10 -1.43 0.57 0.00 -0.71 0.00 0.00 33.22 31.75 2ja6 n MET 747 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 2ja6 n ILE 748 N 0.73 0.15 -2.17 2.02 -5.35 -0.02 -3.56 119.36 111.15 2ja6 n ILE 748 Ca 0.17 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.37 2ja6 n ILE 748 Cb 0.43 -0.56 0.03 0.00 -1.74 0.00 0.00 39.64 37.80 2ja6 n ILE 748 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2ja6 s LEU 749 N -3.14 3.17 0.20 7.28 1.43 -1.23 -3.91 118.68 122.48 2ja6 s LEU 749 Ca 0.13 0.99 0.10 0.00 -1.03 0.00 0.00 54.13 54.32 2ja6 s LEU 749 Cb 0.17 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2ja6 s LEU 749 CO 0.51 -1.07 -0.20 -0.83 0.23 0.00 0.00 176.35 174.99 2ja6 s GLY 750 N -4.28 1.59 0.00 -3.19 0.00 -1.26 -1.17 107.32 99.00 2ja6 s GLY 750 Ca 0.55 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2ja6 s GLY 750 CO 0.49 -1.68 0.00 -0.62 0.00 0.00 0.00 173.10 171.29 2ja6 n VAL 751 N 0.07 0.00 0.00 1.40 0.31 -1.26 -1.30 118.33 117.54 2ja6 n VAL 751 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2ja6 n VAL 751 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2ja6 n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ja6 n ALA 752 N -1.01 0.00 -0.30 3.52 0.00 -1.26 -2.22 120.51 119.24 2ja6 n ALA 752 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2ja6 n ALA 752 Cb 0.00 0.18 0.17 0.00 0.00 0.00 0.00 19.45 19.81 2ja6 n ALA 752 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja6 h ALA 753 N -1.51 0.80 0.00 0.00 0.00 -1.54 -2.59 119.26 114.42 2ja6 h ALA 753 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ja6 h ALA 753 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2ja6 h ALA 753 CO 0.00 -0.45 0.66 0.77 0.00 0.00 0.00 179.25 180.23 2ja6 h SER 754 N 0.04 0.00 0.00 0.00 0.02 -1.28 1.40 113.55 113.72 2ja6 h SER 754 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2ja6 h SER 754 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2ja6 h SER 754 CO -0.82 0.00 -0.98 -0.38 -1.14 0.00 0.00 176.83 173.51 2ja6 n ILE 755 N -1.95 0.00 -2.53 3.27 5.41 -0.97 -4.51 119.36 118.07 2ja6 n ILE 755 Ca -0.00 -0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.29 2ja6 n ILE 755 Cb 0.66 0.98 -0.02 0.00 -0.71 0.00 0.00 39.64 40.55 2ja6 n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2ja6 s ILE 756 N -2.93 4.46 0.18 1.39 1.01 0.48 -4.92 121.20 120.87 2ja6 s ILE 756 Ca 0.07 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 2ja6 s ILE 756 Cb 0.15 -4.14 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 2ja6 s ILE 756 CO 0.84 -0.14 1.12 -2.16 0.00 0.00 0.00 174.94 174.60 2ja6 s PRO 757 N 3.24 4.57 -1.28 2.79 0.04 -1.26 -3.81 135.00 139.29 2ja6 s PRO 757 Ca 0.50 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 2ja6 s PRO 757 Cb -0.19 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.10 2ja6 s PRO 757 CO 0.12 0.04 0.19 1.19 0.04 0.00 0.00 177.00 178.58 2ja6 n PHE 758 N 2.35 -1.52 -0.62 0.56 0.99 -0.79 -4.80 117.46 113.63 2ja6 n PHE 758 Ca 0.03 0.18 0.49 0.00 -0.00 0.00 0.00 57.45 58.15 2ja6 n PHE 758 Cb 0.46 -3.23 0.81 0.00 -1.00 0.00 0.00 39.48 36.51 2ja6 n PHE 758 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 2ja6 h PRO 759 N -0.41 0.00 -1.91 -1.08 0.13 -1.86 0.36 132.00 127.23 2ja6 h PRO 759 Ca -0.39 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2ja6 h PRO 759 Cb 1.28 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ja6 h PRO 759 CO 0.45 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.82 2ja6 n ASP 760 N -4.00 4.09 0.00 1.44 5.75 -1.26 -2.38 116.55 120.19 2ja6 n ASP 760 Ca 0.40 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 2ja6 n ASP 760 Cb 1.83 -0.85 0.00 0.00 -1.03 0.00 0.00 41.12 41.07 2ja6 n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2ja6 n HIS 761 N 1.49 0.00 -4.30 2.11 8.25 0.13 -5.07 115.22 117.83 2ja6 n HIS 761 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 2ja6 n HIS 761 Cb 0.40 0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.47 2ja6 n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2ja6 s ASN 762 N 0.00 4.05 -0.17 0.41 0.01 -1.00 -3.39 114.94 114.85 2ja6 s ASN 762 Ca 0.00 -0.58 -0.28 0.00 -0.71 0.00 0.00 52.86 51.29 2ja6 s ASN 762 Cb 0.00 -0.62 -0.06 0.00 0.41 0.00 0.00 41.25 40.98 2ja6 s ASN 762 CO 0.00 0.14 2.13 -1.58 -1.51 0.00 0.00 177.10 176.28 2ja6 s GLN 763 N -2.47 3.37 0.00 -0.60 0.74 -1.16 -4.80 119.66 114.74 2ja6 s GLN 763 Ca 0.21 2.11 0.00 0.00 0.05 0.00 0.00 55.36 57.73 2ja6 s GLN 763 Cb -0.10 -4.31 0.00 0.00 1.10 0.00 0.00 33.01 29.70 2ja6 s GLN 763 CO 0.12 -1.83 0.00 0.45 -0.55 0.00 0.00 175.29 173.49 2ja6 n SER 764 N 10.66 0.00 -0.06 6.67 2.88 -1.26 0.47 113.62 132.97 2ja6 n SER 764 Ca 0.27 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.86 2ja6 n SER 764 Cb 0.44 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.31 2ja6 n SER 764 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2ja6 h PRO 765 N 0.00 0.59 -0.29 -1.46 0.13 -1.98 -2.61 132.00 126.37 2ja6 h PRO 765 Ca 0.00 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.18 2ja6 h PRO 765 Cb 0.00 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 2ja6 h PRO 765 CO 0.00 0.39 0.46 0.00 -0.23 0.00 0.00 178.00 178.61 2ja6 h ARG 766 N 0.60 0.00 0.07 0.86 2.47 -0.32 1.01 114.38 119.07 2ja6 h ARG 766 Ca 0.21 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.67 2ja6 h ARG 766 Cb 0.09 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2ja6 h ARG 766 CO -0.05 0.00 -1.25 -0.91 0.56 0.00 0.00 179.97 178.32 2ja6 h ASN 767 N 0.00 0.25 0.17 7.04 2.35 -1.61 -3.07 115.58 120.70 2ja6 h ASN 767 Ca 0.14 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 2ja6 h ASN 767 Cb 1.05 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 2ja6 h ASN 767 CO -0.00 1.23 -0.09 0.74 -1.65 0.00 0.00 177.43 177.66 2ja6 h THR 768 N 0.04 0.77 0.00 2.81 2.02 0.98 0.10 112.91 119.63 2ja6 h THR 768 Ca -0.12 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2ja6 h THR 768 Cb 1.92 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2ja6 h THR 768 CO 0.16 0.09 -0.03 1.88 0.37 0.00 0.00 175.52 177.99 2ja6 h TYR 769 N 0.00 0.00 -1.09 3.16 0.99 -1.51 -3.30 116.97 115.23 2ja6 h TYR 769 Ca -0.00 0.00 0.32 0.00 2.00 0.00 0.00 58.73 61.04 2ja6 h TYR 769 Cb 0.20 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 37.89 2ja6 h TYR 769 CO 0.00 0.00 1.06 0.37 -0.00 0.00 0.00 178.16 179.59 2ja6 h GLN 770 N -0.53 0.00 -1.45 4.88 5.75 -1.47 3.24 115.11 125.52 2ja6 h GLN 770 Ca 0.00 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 2ja6 h GLN 770 Cb 0.03 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.51 2ja6 h GLN 770 CO 0.00 0.00 0.20 0.43 -2.65 0.00 0.00 178.83 176.81 2ja6 n SER 771 N -3.55 4.86 0.00 -0.69 7.64 0.02 -2.51 113.62 119.39 2ja6 n SER 771 Ca 0.24 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.50 2ja6 n SER 771 Cb 1.40 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2ja6 n SER 771 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ja6 n ALA 772 N 0.57 0.11 0.09 -0.43 0.00 1.07 -4.51 120.51 117.41 2ja6 n ALA 772 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 2ja6 n ALA 772 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 2ja6 n ALA 772 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2ja6 h MET 773 N 0.00 0.00 -0.19 0.00 2.86 -1.35 -2.66 114.93 113.59 2ja6 h MET 773 Ca 0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2ja6 h MET 773 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2ja6 h MET 773 CO 0.00 0.86 0.25 0.78 1.06 0.00 0.00 176.91 179.86 2ja6 h GLY 774 N 2.68 0.00 -0.91 8.32 0.00 -1.74 1.15 103.07 112.56 2ja6 h GLY 774 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2ja6 h GLY 774 CO 0.11 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.93 2ja6 n LYS 775 N -3.59 1.58 0.00 4.80 5.02 -1.00 -3.25 118.16 121.71 2ja6 n LYS 775 Ca 0.02 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 2ja6 n LYS 775 Cb 0.37 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2ja6 n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2ja6 n GLN 776 N 0.12 -0.44 -1.49 1.97 6.02 0.39 -4.88 117.38 119.07 2ja6 n GLN 776 Ca 0.07 -0.23 -0.30 0.00 -0.01 0.00 0.00 57.00 56.53 2ja6 n GLN 776 Cb 0.23 -0.73 0.11 0.00 1.02 0.00 0.00 30.24 30.86 2ja6 n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ja6 s ALA 777 N -0.00 2.04 0.14 -1.58 0.00 -0.96 -0.62 121.76 120.78 2ja6 s ALA 777 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.75 2ja6 s ALA 777 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 2ja6 s ALA 777 CO 0.00 -1.94 0.17 -1.64 0.00 0.00 0.00 175.76 172.35 2ja6 s MET 778 N -5.14 3.06 0.00 0.00 -1.94 -0.65 -4.60 119.30 110.03 2ja6 s MET 778 Ca 0.62 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 2ja6 s MET 778 Cb -0.15 -2.76 0.00 0.00 2.01 0.00 0.00 34.83 33.93 2ja6 s MET 778 CO 0.54 0.51 0.00 0.41 -0.01 0.00 0.00 175.02 176.48 2ja6 n GLY 779 N -0.23 0.23 2.71 -0.03 0.00 -1.26 -3.92 105.19 102.69 2ja6 n GLY 779 Ca -0.08 0.51 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 2ja6 n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ja6 s VAL 780 N 2.70 -0.32 -0.47 1.61 1.01 -1.24 -0.19 120.40 123.49 2ja6 s VAL 780 Ca 0.00 -0.50 0.26 0.00 0.00 0.00 0.00 61.98 61.74 2ja6 s VAL 780 Cb 0.00 -0.95 0.29 0.00 0.00 0.00 0.00 36.38 35.72 2ja6 s VAL 780 CO 0.00 -0.49 1.76 2.19 0.00 0.00 0.00 175.10 178.56 2ja6 h PHE 781 N 8.30 0.00 -2.15 5.22 -5.15 -1.86 -3.36 116.94 117.94 2ja6 h PHE 781 Ca -0.15 0.00 0.24 0.00 -0.20 0.00 0.00 57.97 57.86 2ja6 h PHE 781 Cb 1.07 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 37.17 2ja6 h PHE 781 CO 0.26 0.00 0.68 -0.51 -2.00 0.00 0.00 178.31 176.75 2ja6 s LEU 782 N -4.88 -0.05 0.00 2.10 1.43 -1.26 -4.34 118.68 111.67 2ja6 s LEU 782 Ca 0.06 -0.40 0.15 0.00 -1.03 0.00 0.00 54.13 52.91 2ja6 s LEU 782 Cb 0.10 1.79 -0.09 0.00 0.03 0.00 0.00 46.19 48.02 2ja6 s LEU 782 CO 0.50 -0.67 0.72 0.35 0.23 0.00 0.00 176.35 177.47 2ja6 n THR 783 N -0.64 0.00 0.60 5.49 -2.24 -1.26 -4.24 114.28 111.99 2ja6 n THR 783 Ca -0.04 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.54 2ja6 n THR 783 Cb 0.60 1.09 0.16 0.00 -2.10 0.00 0.00 70.33 70.08 2ja6 n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ja6 n ASN 784 N -0.77 2.36 -0.13 3.42 6.94 -1.26 -4.23 115.26 121.59 2ja6 n ASN 784 Ca 0.04 -2.18 0.16 0.00 -0.02 0.00 0.00 54.58 52.58 2ja6 n ASN 784 Cb 0.27 -0.38 0.54 0.00 -2.36 0.00 0.00 39.78 37.85 2ja6 n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 2ja6 h TYR 785 N 1.87 0.38 0.00 -2.53 -0.00 -1.95 0.68 116.97 115.43 2ja6 h TYR 785 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 2ja6 h TYR 785 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 36.73 37.37 2ja6 h TYR 785 CO 0.34 0.15 0.00 -0.97 -0.00 0.00 0.00 178.16 177.68 2ja6 h ASN 786 N 0.33 0.00 -0.34 0.10 -1.24 -1.94 -2.26 115.58 110.23 2ja6 h ASN 786 Ca 0.34 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 57.11 2ja6 h ASN 786 Cb 0.87 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.74 2ja6 h ASN 786 CO -0.09 0.00 -0.56 0.52 -1.29 0.00 0.00 177.43 176.00 2ja6 n VAL 787 N -2.64 2.39 -4.41 2.57 0.31 0.24 -4.99 118.33 111.80 2ja6 n VAL 787 Ca -0.01 -3.58 -0.29 0.00 -0.01 0.00 0.00 64.34 60.45 2ja6 n VAL 787 Cb 0.14 -0.62 -0.17 0.00 -0.91 0.00 0.00 33.84 32.29 2ja6 n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2ja6 s ARG 788 N -3.39 2.25 -1.12 5.55 0.52 -0.85 -5.03 118.95 116.87 2ja6 s ARG 788 Ca 0.44 -0.57 -0.04 0.00 -0.52 0.00 0.00 55.73 55.04 2ja6 s ARG 788 Cb 0.39 -1.93 0.27 0.00 0.52 0.00 0.00 34.95 34.21 2ja6 s ARG 788 CO -0.02 -0.08 1.71 -1.33 0.02 0.00 0.00 175.30 175.60 2ja6 n MET 789 N 4.26 4.57 -4.36 3.54 2.81 -1.26 -4.98 117.12 121.71 2ja6 n MET 789 Ca -0.19 -4.31 -0.34 0.00 -1.81 0.00 0.00 57.70 51.05 2ja6 n MET 789 Cb 0.51 -2.58 -0.09 0.00 -0.71 0.00 0.00 33.22 30.34 2ja6 n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2ja6 s ASP 790 N -1.07 5.14 -0.06 7.83 3.84 -1.26 -4.94 116.67 126.16 2ja6 s ASP 790 Ca 0.36 0.07 -0.30 0.00 -0.00 0.00 0.00 52.55 52.69 2ja6 s ASP 790 Cb 0.10 -1.39 -0.06 0.00 -1.38 0.00 0.00 42.92 40.19 2ja6 s ASP 790 CO 0.02 0.34 1.68 0.42 -0.00 0.00 0.00 175.17 177.63 2ja6 s THR 791 N -0.96 3.54 0.35 2.11 -4.23 -1.26 -4.14 115.64 111.04 2ja6 s THR 791 Ca 0.16 0.65 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 2ja6 s THR 791 Cb -0.11 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2ja6 s THR 791 CO 0.06 -0.07 0.00 0.80 -0.54 0.00 0.00 174.62 174.87 2ja6 n MET 792 N 7.21 -5.45 -3.64 3.99 0.00 -1.04 -4.84 117.12 113.35 2ja6 n MET 792 Ca 0.18 3.91 -0.04 0.00 -0.00 0.00 0.00 57.70 61.74 2ja6 n MET 792 Cb 0.43 -4.28 -0.07 0.00 0.00 0.00 0.00 33.22 29.30 2ja6 n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ja6 s ALA 793 N -1.65 -2.20 -0.12 -5.12 0.00 0.46 -4.93 121.76 108.20 2ja6 s ALA 793 Ca 0.00 1.83 0.01 0.00 0.00 0.00 0.00 51.96 53.79 2ja6 s ALA 793 Cb 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 2ja6 s ALA 793 CO 0.00 -0.19 -0.14 -0.80 0.00 0.00 0.00 175.76 174.63 2ja6 s ASN 794 N 0.33 3.92 -0.08 0.00 0.01 -1.26 -0.11 114.94 117.74 2ja6 s ASN 794 Ca 0.03 -0.34 0.05 0.00 -0.71 0.00 0.00 52.86 51.89 2ja6 s ASN 794 Cb -0.05 -1.51 -0.01 0.00 0.41 0.00 0.00 41.25 40.10 2ja6 s ASN 794 CO -0.12 0.18 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.79 2ja6 s ILE 795 N 0.24 2.18 -0.17 0.60 1.09 -1.20 -4.14 121.20 119.79 2ja6 s ILE 795 Ca -0.09 -1.00 -0.29 0.00 -1.10 0.00 0.00 60.65 58.17 2ja6 s ILE 795 Cb -0.16 -1.82 -0.00 0.00 -1.06 0.00 0.00 42.46 39.42 2ja6 s ILE 795 CO 0.05 0.56 0.99 -0.22 -0.10 0.00 0.00 174.94 176.23 2ja6 s LEU 796 N 0.07 4.17 0.03 2.97 2.96 0.74 0.96 118.68 130.59 2ja6 s LEU 796 Ca -0.10 1.41 -0.07 0.00 -0.22 0.00 0.00 54.13 55.14 2ja6 s LEU 796 Cb -0.16 -3.50 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2ja6 s LEU 796 CO 0.06 -0.53 1.12 1.88 -1.32 0.00 0.00 176.35 177.56 2ja6 h TYR 797 N 7.29 -0.42 -3.46 5.38 -1.99 -1.52 -3.34 116.97 118.90 2ja6 h TYR 797 Ca -0.26 0.03 -0.67 0.00 2.00 0.00 0.00 58.73 59.83 2ja6 h TYR 797 Cb 1.11 0.21 -0.38 0.00 2.00 0.00 0.00 36.73 39.67 2ja6 h TYR 797 CO 0.73 -0.09 -0.47 0.71 -0.00 0.00 0.00 178.16 179.04 2ja6 s TYR 798 N -3.58 3.33 0.81 4.88 4.12 -1.26 -5.08 117.35 120.56 2ja6 s TYR 798 Ca -0.03 -2.94 -0.11 0.00 0.02 0.00 0.00 57.07 54.01 2ja6 s TYR 798 Cb 0.02 -3.03 0.08 0.00 -1.52 0.00 0.00 41.96 37.51 2ja6 s TYR 798 CO 0.14 -0.79 1.09 -2.14 0.02 0.00 0.00 175.55 173.87 2ja6 s PRO 799 N -0.26 1.95 -0.20 -1.71 0.02 -1.26 -4.83 135.00 128.72 2ja6 s PRO 799 Ca 0.18 0.97 -0.10 0.00 0.02 0.00 0.00 61.00 62.07 2ja6 s PRO 799 Cb -0.22 -1.88 0.07 0.00 0.02 0.00 0.00 34.50 32.50 2ja6 s PRO 799 CO -0.03 -1.80 0.46 -0.65 -0.33 0.00 0.00 177.00 174.66 2ja6 s GLN 800 N -4.96 0.43 0.32 5.54 -0.21 -1.01 -5.01 119.66 114.77 2ja6 s GLN 800 Ca 0.62 0.93 -0.29 0.00 0.02 0.00 0.00 55.36 56.64 2ja6 s GLN 800 Cb -0.17 0.11 -0.10 0.00 1.00 0.00 0.00 33.01 33.85 2ja6 s GLN 800 CO 0.56 -0.18 1.31 -1.59 -2.12 0.00 0.00 175.29 173.27 2ja6 s LYS 801 N 1.77 4.36 0.76 2.91 -2.85 -1.26 -4.58 119.74 120.84 2ja6 s LYS 801 Ca -0.08 2.21 -0.14 0.00 -1.00 0.00 0.00 55.97 56.96 2ja6 s LYS 801 Cb -0.09 -3.08 0.05 0.00 -2.06 0.00 0.00 37.83 32.66 2ja6 s LYS 801 CO -0.14 -0.20 1.17 -1.25 0.10 0.00 0.00 175.35 175.03 2ja6 s PRO 802 N -1.61 2.03 0.07 1.78 0.04 -1.26 -4.82 135.00 131.23 2ja6 s PRO 802 Ca 0.50 1.63 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 2ja6 s PRO 802 Cb -0.40 -1.83 -0.25 0.00 0.04 0.00 0.00 34.50 32.06 2ja6 s PRO 802 CO 0.51 -1.89 1.15 -0.07 0.04 0.00 0.00 177.00 176.74 2ja6 h LEU 803 N -0.60 0.86 -9.32 -3.56 3.38 -1.93 -3.43 115.31 100.71 2ja6 h LEU 803 Ca -0.46 -0.75 -0.57 0.00 0.09 0.00 0.00 57.88 56.18 2ja6 h LEU 803 Cb 1.28 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 2ja6 h LEU 803 CO 0.49 1.55 -0.04 -0.83 0.09 0.00 0.00 178.44 179.71 2ja6 s GLY 804 N -4.39 2.45 0.26 0.83 0.00 -1.26 -2.90 107.32 102.31 2ja6 s GLY 804 Ca -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.57 2ja6 s GLY 804 CO 0.92 0.96 0.22 -0.51 0.00 0.00 0.00 173.10 174.70 2ja6 s THR 805 N 0.79 0.00 -0.05 0.90 -4.23 -0.87 -4.89 115.64 107.28 2ja6 s THR 805 Ca 0.30 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2ja6 s THR 805 Cb -0.16 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.18 2ja6 s THR 805 CO 0.13 0.00 -0.17 -0.89 -0.54 0.00 0.00 174.62 173.15 2ja6 s THR 806 N -3.83 1.46 0.59 3.99 2.01 -1.26 0.28 115.64 118.87 2ja6 s THR 806 Ca 0.38 -0.72 0.29 0.00 0.31 0.00 0.00 61.69 61.96 2ja6 s THR 806 Cb 0.05 -1.26 0.41 0.00 0.01 0.00 0.00 72.50 71.70 2ja6 s THR 806 CO 0.18 0.42 1.75 0.03 -0.69 0.00 0.00 174.62 176.31 2ja6 h ARG 807 N 6.36 0.00 0.00 4.92 2.47 -1.96 0.88 114.38 127.05 2ja6 h ARG 807 Ca -0.31 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.31 2ja6 h ARG 807 Cb 1.18 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 2ja6 h ARG 807 CO 0.48 0.00 -0.44 0.00 0.56 0.00 0.00 179.97 180.57 2ja6 h ALA 808 N 1.24 1.27 -0.34 0.04 0.00 -1.93 -3.19 119.26 116.35 2ja6 h ALA 808 Ca 0.32 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2ja6 h ALA 808 Cb 1.71 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2ja6 h ALA 808 CO -0.00 0.55 0.16 0.52 0.00 0.00 0.00 179.25 180.48 2ja6 h MET 809 N 0.00 0.33 -0.98 0.00 2.86 0.57 -2.92 114.93 114.79 2ja6 h MET 809 Ca -0.00 -0.02 0.35 0.00 -2.06 0.00 0.00 59.70 57.97 2ja6 h MET 809 Cb 0.78 -0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.26 2ja6 h MET 809 CO 0.06 0.22 0.62 -1.91 1.06 0.00 0.00 176.91 176.95 2ja6 n GLU 810 N -4.96 -0.03 0.05 1.72 2.13 -1.20 0.19 120.64 118.54 2ja6 n GLU 810 Ca 0.00 0.95 0.07 0.00 0.66 0.00 0.00 57.16 58.84 2ja6 n GLU 810 Cb 0.09 -1.84 -0.07 0.00 0.27 0.00 0.00 31.44 29.89 2ja6 n GLU 810 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2ja6 n TYR 811 N -4.26 0.75 1.35 4.31 4.02 -1.10 -3.65 117.16 118.57 2ja6 n TYR 811 Ca 0.30 0.23 0.03 0.00 -0.01 0.00 0.00 57.90 58.45 2ja6 n TYR 811 Cb 1.14 -0.92 0.10 0.00 -0.02 0.00 0.00 39.34 39.63 2ja6 n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2ja6 n LEU 812 N -2.67 1.09 -3.80 7.72 4.77 0.51 -4.91 117.00 119.71 2ja6 n LEU 812 Ca -0.06 -0.55 -0.30 0.00 -0.03 0.00 0.00 56.01 55.08 2ja6 n LEU 812 Cb 0.68 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2ja6 n LEU 812 CO 0.42 0.27 -0.15 0.29 -1.33 0.00 0.00 177.39 176.89 2ja6 n LYS 813 N 0.10 -1.11 -0.12 3.23 4.76 -0.73 -4.84 118.16 119.45 2ja6 n LYS 813 Ca 0.07 0.59 -0.22 0.00 -2.87 0.00 0.00 58.31 55.88 2ja6 n LYS 813 Cb 0.17 -2.86 -0.09 0.00 -1.84 0.00 0.00 35.03 30.42 2ja6 n LYS 813 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2ja6 n PHE 814 N -3.43 0.33 0.00 2.13 7.35 -1.22 -3.81 117.46 118.81 2ja6 n PHE 814 Ca -0.21 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 2ja6 n PHE 814 Cb 0.63 -0.92 0.00 0.00 0.35 0.00 0.00 39.48 39.53 2ja6 n PHE 814 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2ja6 n ARG 815 N -4.36 0.00 -0.04 -4.13 1.74 -1.26 -0.32 116.66 108.29 2ja6 n ARG 815 Ca -0.38 0.14 0.03 0.00 -0.77 0.00 0.00 57.85 56.86 2ja6 n ARG 815 Cb 0.72 -1.52 -0.14 0.00 -1.02 0.00 0.00 32.46 30.50 2ja6 n ARG 815 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ja6 n GLU 816 N -1.10 0.78 -2.98 5.56 4.71 -1.26 -4.77 120.64 121.58 2ja6 n GLU 816 Ca 0.00 -0.11 -0.14 0.00 -0.01 0.00 0.00 57.16 56.89 2ja6 n GLU 816 Cb 0.02 -1.45 0.02 0.00 -1.01 0.00 0.00 31.44 29.01 2ja6 n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2ja6 n LEU 817 N -2.35 -0.78 -4.00 -4.62 4.77 0.56 -5.09 117.00 105.49 2ja6 n LEU 817 Ca -0.13 -4.33 -0.19 0.00 -0.03 0.00 0.00 56.01 51.34 2ja6 n LEU 817 Cb 0.71 0.80 0.12 0.00 -2.33 0.00 0.00 43.42 42.73 2ja6 n LEU 817 CO 0.39 2.16 -0.21 -0.81 -1.33 0.00 0.00 177.39 177.59 2ja6 n PRO 818 N 0.58 -1.73 -0.93 3.23 -0.04 -0.98 -4.53 135.00 130.60 2ja6 n PRO 818 Ca 0.16 -0.51 0.03 0.00 -0.04 0.00 0.00 63.50 63.14 2ja6 n PRO 818 Cb 0.66 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.76 2ja6 n PRO 818 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ja6 n ALA 819 N -4.15 2.31 0.00 0.55 0.00 -1.26 -3.73 120.51 114.23 2ja6 n ALA 819 Ca 0.04 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.58 2ja6 n ALA 819 Cb 0.36 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2ja6 n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ja6 n GLY 820 N 0.05 -0.62 3.15 0.00 0.00 -1.25 -4.17 105.19 102.35 2ja6 n GLY 820 Ca 0.05 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 2ja6 n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ja6 s GLN 821 N -0.06 0.32 -0.48 1.61 -0.21 -0.73 -2.39 119.66 117.72 2ja6 s GLN 821 Ca 0.00 0.36 -0.28 0.00 0.02 0.00 0.00 55.36 55.46 2ja6 s GLN 821 Cb 0.00 0.15 0.00 0.00 1.00 0.00 0.00 33.01 34.16 2ja6 s GLN 821 CO 0.00 -0.04 1.56 -0.80 -2.12 0.00 0.00 175.29 173.89 2ja6 s ASN 822 N 0.12 6.01 -0.16 5.90 0.01 -1.26 -1.56 114.94 123.99 2ja6 s ASN 822 Ca -0.00 0.66 -0.04 0.00 -0.71 0.00 0.00 52.86 52.77 2ja6 s ASN 822 Cb -0.02 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 2ja6 s ASN 822 CO 0.00 -1.73 -0.02 0.00 -1.51 0.00 0.00 177.10 173.85 2ja6 s ALA 823 N 6.51 3.10 -0.71 0.60 0.00 0.12 -4.83 121.76 126.55 2ja6 s ALA 823 Ca 0.63 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 2ja6 s ALA 823 Cb -0.14 -1.63 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 2ja6 s ALA 823 CO 0.28 0.23 2.16 0.42 0.00 0.00 0.00 175.76 178.85 2ja6 s ILE 824 N 0.30 3.21 1.25 0.00 -1.09 -1.26 -2.39 121.20 121.21 2ja6 s ILE 824 Ca -0.02 -0.05 -0.19 0.00 -2.23 0.00 0.00 60.65 58.15 2ja6 s ILE 824 Cb -0.14 -3.50 0.30 0.00 -1.58 0.00 0.00 42.46 37.55 2ja6 s ILE 824 CO 0.02 -0.48 1.05 -0.69 -1.23 0.00 0.00 174.94 173.62 2ja6 s VAL 825 N 11.62 1.55 -0.37 2.92 1.01 -0.85 0.13 120.40 136.41 2ja6 s VAL 825 Ca 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 2ja6 s VAL 825 Cb -0.12 -2.34 0.19 0.00 0.00 0.00 0.00 36.38 34.11 2ja6 s VAL 825 CO 0.13 0.00 0.93 0.00 0.00 0.00 0.00 175.10 176.16 2ja6 s ALA 826 N -2.76 -3.76 -0.72 5.51 0.00 -1.23 -3.17 121.76 115.63 2ja6 s ALA 826 Ca 0.70 0.73 -0.26 0.00 0.00 0.00 0.00 51.96 53.13 2ja6 s ALA 826 Cb -0.12 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 2ja6 s ALA 826 CO 0.57 -2.42 2.01 0.42 0.00 0.00 0.00 175.76 176.34 2ja6 s ILE 827 N 1.62 3.32 0.28 0.00 1.01 -1.22 -3.14 121.20 123.06 2ja6 s ILE 827 Ca 0.18 -0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.62 2ja6 s ILE 827 Cb 0.03 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.74 2ja6 s ILE 827 CO -0.11 -0.74 0.63 0.00 0.00 0.00 0.00 174.94 174.72 2ja6 s ALA 828 N 10.34 -0.74 -0.44 9.38 0.00 -0.52 -3.80 121.76 135.97 2ja6 s ALA 828 Ca 0.74 -0.61 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 2ja6 s ALA 828 Cb -0.11 0.92 0.07 0.00 0.00 0.00 0.00 23.12 24.00 2ja6 s ALA 828 CO 0.12 -0.96 0.33 0.00 0.00 0.00 0.00 175.76 175.25 2ja6 s TYR 830 N 1.57 1.97 0.00 0.00 5.04 -1.26 -4.99 117.35 119.68 2ja6 s TYR 830 Ca 0.04 -0.99 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 2ja6 s TYR 830 Cb -0.23 -1.31 0.00 0.00 0.35 0.00 0.00 41.96 40.77 2ja6 s TYR 830 CO 0.06 -0.00 0.00 -1.13 -1.34 0.00 0.00 175.55 173.14 2ja6 n SER 831 N -0.83 0.00 0.00 4.32 3.41 -1.26 -4.01 113.62 115.25 2ja6 n SER 831 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2ja6 n SER 831 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2ja6 n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ja6 n GLY 832 N 0.00 0.00 0.07 5.00 0.00 -1.26 -5.03 105.19 103.97 2ja6 n GLY 832 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2ja6 n GLY 832 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2ja6 h TYR 833 N 0.00 0.00 -0.02 1.61 -1.99 -1.96 -3.28 116.97 111.33 2ja6 h TYR 833 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2ja6 h TYR 833 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2ja6 h TYR 833 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 2ja6 n ASN 834 N -2.15 0.83 -4.53 3.88 6.94 -1.26 -4.46 115.26 114.52 2ja6 n ASN 834 Ca 0.04 -1.30 -0.29 0.00 -0.02 0.00 0.00 54.58 53.00 2ja6 n ASN 834 Cb 0.44 -0.01 0.24 0.00 -2.36 0.00 0.00 39.78 38.09 2ja6 n ASN 834 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2ja6 s GLN 835 N -1.99 -0.57 -1.08 -3.83 0.74 -1.24 -3.46 119.66 108.24 2ja6 s GLN 835 Ca 0.41 0.94 -0.01 0.00 0.05 0.00 0.00 55.36 56.75 2ja6 s GLN 835 Cb 0.21 -1.59 0.01 0.00 1.10 0.00 0.00 33.01 32.75 2ja6 s GLN 835 CO 0.34 -3.52 0.03 0.39 -0.55 0.00 0.00 175.29 171.98 2ja6 n GLU 836 N -4.79 -0.95 -2.50 1.67 -0.58 -1.26 -2.75 120.64 109.49 2ja6 n GLU 836 Ca 0.04 0.06 -0.06 0.00 -0.42 0.00 0.00 57.16 56.79 2ja6 n GLU 836 Cb 0.54 -2.51 0.03 0.00 -0.57 0.00 0.00 31.44 28.93 2ja6 n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2ja6 n ASP 837 N -1.84 -2.13 -3.79 1.62 8.00 -1.26 -5.05 116.55 112.10 2ja6 n ASP 837 Ca -0.20 -0.20 -0.13 0.00 0.71 0.00 0.00 54.79 54.98 2ja6 n ASP 837 Cb 0.46 -2.00 -0.11 0.00 -0.02 0.00 0.00 41.12 39.46 2ja6 n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ja6 s SER 838 N -3.41 -0.21 0.15 -2.24 1.04 -1.11 -3.28 113.70 104.64 2ja6 s SER 838 Ca 0.02 0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.83 2ja6 s SER 838 Cb -0.01 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2ja6 s SER 838 CO 0.24 -0.19 0.17 0.00 0.98 0.00 0.00 173.24 174.45 2ja6 s MET 839 N -0.31 3.06 -0.18 4.02 0.23 0.11 -4.02 119.30 122.20 2ja6 s MET 839 Ca -0.04 -0.77 -0.15 0.00 -1.03 0.00 0.00 55.69 53.70 2ja6 s MET 839 Cb -0.03 -2.75 -0.04 0.00 -1.53 0.00 0.00 34.83 30.48 2ja6 s MET 839 CO 0.01 0.50 0.34 0.42 -2.03 0.00 0.00 175.02 174.26 2ja6 s ILE 840 N -1.72 5.26 -0.12 3.16 1.01 -1.17 -1.98 121.20 125.65 2ja6 s ILE 840 Ca 0.32 0.61 0.03 0.00 0.00 0.00 0.00 60.65 61.61 2ja6 s ILE 840 Cb -0.11 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2ja6 s ILE 840 CO 0.25 0.33 -0.23 -0.32 0.00 0.00 0.00 174.94 174.97 2ja6 s MET 841 N 0.85 3.01 -0.23 2.79 1.75 -0.90 -1.18 119.30 125.39 2ja6 s MET 841 Ca 0.17 -0.86 -0.31 0.00 -1.25 0.00 0.00 55.69 53.45 2ja6 s MET 841 Cb -0.14 -2.34 -0.08 0.00 2.84 0.00 0.00 34.83 35.11 2ja6 s MET 841 CO 0.06 0.09 2.17 -1.71 -0.65 0.00 0.00 175.02 174.98 2ja6 n ASN 842 N 3.76 3.02 0.46 1.11 5.15 -0.20 -2.15 115.26 126.40 2ja6 n ASN 842 Ca -0.19 0.38 -0.20 0.00 -0.60 0.00 0.00 54.58 53.97 2ja6 n ASN 842 Cb 0.52 -1.45 -0.10 0.00 -0.53 0.00 0.00 39.78 38.22 2ja6 n ASN 842 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 2ja6 h GLN 843 N 13.47 -1.15 0.00 1.20 5.75 0.95 -1.68 115.11 133.65 2ja6 h GLN 843 Ca -0.38 0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 2ja6 h GLN 843 Cb 1.27 0.26 0.00 0.00 1.07 0.00 0.00 27.48 30.08 2ja6 h GLN 843 CO 0.97 -0.77 0.00 0.43 -2.65 0.00 0.00 178.83 176.81 2ja6 n SER 844 N -5.62 0.00 -0.35 -0.69 7.64 -1.21 0.28 113.62 113.67 2ja6 n SER 844 Ca -0.15 0.50 0.28 0.00 1.01 0.00 0.00 58.87 60.50 2ja6 n SER 844 Cb 0.49 -0.18 0.53 0.00 -1.01 0.00 0.00 64.21 64.04 2ja6 n SER 844 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ja6 h SER 845 N 0.00 0.43 -0.89 6.43 4.64 -1.87 1.51 113.55 123.79 2ja6 h SER 845 Ca 0.00 0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.55 2ja6 h SER 845 Cb 0.00 0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.19 2ja6 h SER 845 CO 0.00 -0.19 0.57 0.40 -0.87 0.00 0.00 176.83 176.74 2ja6 h ILE 846 N 0.22 1.13 0.09 0.95 2.04 0.49 -1.10 117.51 121.33 2ja6 h ILE 846 Ca 0.77 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 66.25 2ja6 h ILE 846 Cb 1.94 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2ja6 h ILE 846 CO -0.59 0.20 -0.06 0.44 0.00 0.00 0.00 178.15 178.15 2ja6 h ASP 847 N 1.10 -0.14 0.00 1.72 3.32 0.52 -1.43 116.42 121.51 2ja6 h ASP 847 Ca 0.36 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2ja6 h ASP 847 Cb 0.03 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2ja6 h ASP 847 CO -0.13 -0.09 0.00 0.54 -1.72 0.00 0.00 179.24 177.84 2ja6 n ARG 848 N -5.16 0.21 -0.55 3.56 1.74 -0.90 -4.67 116.66 110.88 2ja6 n ARG 848 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2ja6 n ARG 848 Cb 0.09 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 2ja6 n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ja6 n GLY 849 N -0.19 1.17 3.76 -0.13 0.00 -0.59 -5.06 105.19 104.14 2ja6 n GLY 849 Ca 0.00 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2ja6 n GLY 849 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ja6 s LEU 850 N 0.00 4.48 -0.77 0.99 2.96 -0.45 -3.35 118.68 122.55 2ja6 s LEU 850 Ca 0.00 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 2ja6 s LEU 850 Cb 0.00 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2ja6 s LEU 850 CO 0.00 -0.34 0.00 0.49 -1.32 0.00 0.00 176.35 175.18 2ja6 n PHE 851 N 1.39 -0.35 -2.11 5.38 3.01 -1.26 -4.72 117.46 118.79 2ja6 n PHE 851 Ca 0.01 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.12 2ja6 n PHE 851 Cb 0.44 -1.94 0.01 0.00 -0.01 0.00 0.00 39.48 37.98 2ja6 n PHE 851 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2ja6 s ARG 852 N -2.31 3.22 0.15 -1.08 0.52 -1.21 -4.58 118.95 113.65 2ja6 s ARG 852 Ca 0.00 1.50 -0.05 0.00 -0.52 0.00 0.00 55.73 56.66 2ja6 s ARG 852 Cb 0.00 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 2ja6 s ARG 852 CO 0.00 -0.94 0.18 -1.54 0.02 0.00 0.00 175.30 173.02 2ja6 s SER 853 N -2.09 0.16 0.53 0.23 1.04 -1.16 -1.31 113.70 111.09 2ja6 s SER 853 Ca 0.70 -1.05 0.09 0.00 0.48 0.00 0.00 55.95 56.17 2ja6 s SER 853 Cb -0.22 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.34 2ja6 s SER 853 CO 0.31 -0.82 0.69 -0.76 0.98 0.00 0.00 173.24 173.64 2ja6 s LEU 854 N -3.01 3.22 -0.30 2.42 1.43 0.27 -1.95 118.68 120.76 2ja6 s LEU 854 Ca 0.21 -0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2ja6 s LEU 854 Cb 0.05 -1.86 0.19 0.00 0.03 0.00 0.00 46.19 44.60 2ja6 s LEU 854 CO 0.02 -1.15 0.66 0.12 0.23 0.00 0.00 176.35 176.23 2ja6 s PHE 855 N -2.59 -1.53 -0.12 0.29 5.36 -0.34 -3.28 117.98 115.77 2ja6 s PHE 855 Ca 0.57 1.32 -0.05 0.00 -0.96 0.00 0.00 56.93 57.81 2ja6 s PHE 855 Cb -0.06 0.42 -0.04 0.00 -0.34 0.00 0.00 43.02 43.00 2ja6 s PHE 855 CO 0.36 -0.86 0.06 -0.06 -1.46 0.00 0.00 175.22 173.26 2ja6 s PHE 856 N 2.86 3.32 0.18 10.12 0.40 0.84 -1.93 117.98 133.78 2ja6 s PHE 856 Ca 0.16 0.27 0.08 0.00 -0.60 0.00 0.00 56.93 56.83 2ja6 s PHE 856 Cb -0.12 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 2ja6 s PHE 856 CO -0.22 0.47 -0.15 0.50 0.70 0.00 0.00 175.22 176.52 2ja6 s ARG 857 N -0.59 1.28 -0.35 0.44 3.52 -0.78 -0.40 118.95 122.07 2ja6 s ARG 857 Ca 0.11 -1.50 0.00 0.00 -0.13 0.00 0.00 55.73 54.21 2ja6 s ARG 857 Cb -0.12 -1.15 0.14 0.00 -1.56 0.00 0.00 34.95 32.26 2ja6 s ARG 857 CO 0.02 0.21 0.23 -1.12 -0.81 0.00 0.00 175.30 173.83 2ja6 s SER 858 N -3.04 2.68 0.88 -2.12 0.01 -1.26 -1.33 113.70 109.53 2ja6 s SER 858 Ca 0.19 -2.00 -0.10 0.00 1.31 0.00 0.00 55.95 55.34 2ja6 s SER 858 Cb -0.03 -0.22 0.13 0.00 0.21 0.00 0.00 66.02 66.11 2ja6 s SER 858 CO 0.06 -0.31 1.12 -0.31 0.41 0.00 0.00 173.24 174.21 2ja6 s TYR 859 N 1.22 1.92 0.11 2.43 1.51 -0.43 -4.61 117.35 119.49 2ja6 s TYR 859 Ca 0.17 1.67 -0.12 0.00 -1.01 0.00 0.00 57.07 57.79 2ja6 s TYR 859 Cb -0.21 -3.24 0.01 0.00 -0.11 0.00 0.00 41.96 38.42 2ja6 s TYR 859 CO -0.03 -2.55 0.28 1.41 -1.11 0.00 0.00 175.55 173.56 2ja6 s MET 860 N -4.73 0.95 -0.14 -0.62 1.75 -1.26 -2.25 119.30 113.00 2ja6 s MET 860 Ca 0.65 -0.86 -0.31 0.00 -1.25 0.00 0.00 55.69 53.92 2ja6 s MET 860 Cb -0.21 0.40 0.13 0.00 2.84 0.00 0.00 34.83 37.99 2ja6 s MET 860 CO 0.58 -0.34 1.07 0.34 -0.65 0.00 0.00 175.02 176.02 2ja6 s ASP 861 N -2.84 -0.26 0.20 1.11 -1.08 -0.87 -5.03 116.67 107.89 2ja6 s ASP 861 Ca 0.05 0.13 0.01 0.00 -0.52 0.00 0.00 52.55 52.21 2ja6 s ASP 861 Cb 0.04 0.25 -0.05 0.00 -1.46 0.00 0.00 42.92 41.70 2ja6 s ASP 861 CO -0.11 -0.35 0.07 -1.10 0.52 0.00 0.00 175.17 174.19 2ja6 s GLN 862 N -2.05 1.19 -0.94 4.34 -0.21 -1.26 -1.46 119.66 119.26 2ja6 s GLN 862 Ca 0.05 -1.61 -0.11 0.00 0.02 0.00 0.00 55.36 53.71 2ja6 s GLN 862 Cb -0.01 -0.06 0.24 0.00 1.00 0.00 0.00 33.01 34.18 2ja6 s GLN 862 CO -0.04 -0.26 0.90 -1.21 -2.12 0.00 0.00 175.29 172.55 2ja6 s GLU 863 N -4.03 3.78 0.41 2.91 2.02 -1.09 -5.01 118.70 117.69 2ja6 s GLU 863 Ca 0.32 -2.84 -0.23 0.00 0.02 0.00 0.00 54.97 52.24 2ja6 s GLU 863 Cb 0.07 -4.42 -0.12 0.00 0.10 0.00 0.00 34.13 29.76 2ja6 s GLU 863 CO 0.08 -1.26 0.66 1.63 0.02 0.00 0.00 175.26 176.39 2ja6 n LYS 864 N 3.31 0.74 -4.53 1.61 5.02 -1.26 -4.74 118.16 118.30 2ja6 n LYS 864 Ca 0.18 0.27 -0.25 0.00 -2.02 0.00 0.00 58.31 56.49 2ja6 n LYS 864 Cb 0.43 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 2ja6 n LYS 864 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2ja6 s LYS 865 N -1.67 1.79 -0.12 1.97 2.36 -1.26 -3.63 119.74 119.18 2ja6 s LYS 865 Ca 0.63 -1.98 -0.04 0.00 -2.55 0.00 0.00 55.97 52.03 2ja6 s LYS 865 Cb -0.60 -1.31 0.06 0.00 -1.05 0.00 0.00 37.83 34.92 2ja6 s LYS 865 CO 0.58 -0.07 0.14 0.71 1.55 0.00 0.00 175.35 178.26 2ja6 s TYR 866 N -2.94 -0.08 0.24 4.03 1.51 -1.18 -5.00 117.35 113.92 2ja6 s TYR 866 Ca 0.35 0.28 0.17 0.00 -1.01 0.00 0.00 57.07 56.85 2ja6 s TYR 866 Cb 0.08 -0.41 0.82 0.00 -0.11 0.00 0.00 41.96 42.35 2ja6 s TYR 866 CO 0.16 -0.38 0.89 0.41 -1.11 0.00 0.00 175.55 175.52 2ja6 n GLY 867 N 5.31 -0.46 1.13 0.71 0.00 -1.26 0.58 105.19 111.20 2ja6 n GLY 867 Ca -0.05 0.44 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 2ja6 n GLY 867 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ja6 n MET 868 N -3.94 1.04 -3.24 1.61 0.00 -1.26 -4.88 117.12 106.46 2ja6 n MET 868 Ca 0.22 -0.09 -0.19 0.00 0.00 0.00 0.00 57.70 57.64 2ja6 n MET 868 Cb 0.84 -1.04 0.02 0.00 0.00 0.00 0.00 33.22 33.05 2ja6 n MET 868 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2ja6 n SER 869 N 0.63 -6.44 -3.66 6.12 7.64 0.20 -5.05 113.62 113.06 2ja6 n SER 869 Ca 0.02 0.28 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 2ja6 n SER 869 Cb 0.53 -2.55 -0.12 0.00 -1.01 0.00 0.00 64.21 61.05 2ja6 n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ja6 s ILE 870 N -1.51 -0.47 0.07 0.44 1.01 -1.21 -5.01 121.20 114.53 2ja6 s ILE 870 Ca 0.21 0.25 0.07 0.00 0.00 0.00 0.00 60.65 61.18 2ja6 s ILE 870 Cb -0.03 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 2ja6 s ILE 870 CO 0.59 0.11 -0.18 -0.89 0.00 0.00 0.00 174.94 174.56 2ja6 s THR 871 N 2.46 1.43 0.83 2.92 2.01 -1.26 -3.08 115.64 120.95 2ja6 s THR 871 Ca 0.01 -1.34 -0.10 0.00 0.31 0.00 0.00 61.69 60.57 2ja6 s THR 871 Cb -0.12 -1.31 0.13 0.00 0.01 0.00 0.00 72.50 71.21 2ja6 s THR 871 CO -0.09 -0.06 1.16 -1.61 -0.69 0.00 0.00 174.62 173.33 2ja6 s GLU 872 N -1.63 1.45 -0.00 4.92 2.02 -1.24 -4.59 118.70 119.63 2ja6 s GLU 872 Ca 0.03 -0.39 -0.22 0.00 0.02 0.00 0.00 54.97 54.42 2ja6 s GLU 872 Cb -0.09 -2.03 0.04 0.00 0.10 0.00 0.00 34.13 32.15 2ja6 s GLU 872 CO 0.03 -1.81 0.48 0.99 0.02 0.00 0.00 175.26 174.97 2ja6 s THR 873 N -3.55 0.03 -0.79 3.63 2.01 -0.26 -4.90 115.64 111.82 2ja6 s THR 873 Ca 0.67 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 62.20 2ja6 s THR 873 Cb -0.07 -0.87 0.14 0.00 0.01 0.00 0.00 72.50 71.71 2ja6 s THR 873 CO 0.49 -0.16 0.91 -0.36 -0.69 0.00 0.00 174.62 174.81 2ja6 s PHE 874 N -1.74 3.20 0.33 4.92 2.99 -1.25 0.65 117.98 127.07 2ja6 s PHE 874 Ca -0.10 -1.34 0.04 0.00 0.00 0.00 0.00 56.93 55.53 2ja6 s PHE 874 Cb -0.02 -4.10 -0.02 0.00 0.00 0.00 0.00 43.02 38.88 2ja6 s PHE 874 CO 0.03 -1.33 0.33 -1.83 -0.00 0.00 0.00 175.22 172.42 2ja6 s GLU 875 N 2.21 1.77 -0.70 0.44 -1.05 -0.40 -3.98 118.70 117.00 2ja6 s GLU 875 Ca 0.22 -1.91 -0.07 0.00 -0.15 0.00 0.00 54.97 53.06 2ja6 s GLU 875 Cb -0.12 0.36 0.18 0.00 -0.44 0.00 0.00 34.13 34.11 2ja6 s GLU 875 CO -0.03 -0.68 0.56 0.21 0.95 0.00 0.00 175.26 176.26 2ja6 s LYS 876 N -3.37 2.93 0.61 -4.83 2.20 -1.26 -4.06 119.74 111.96 2ja6 s LYS 876 Ca 0.37 -2.51 -0.10 0.00 -0.36 0.00 0.00 55.97 53.37 2ja6 s LYS 876 Cb 0.02 -3.98 0.14 0.00 -1.51 0.00 0.00 37.83 32.51 2ja6 s LYS 876 CO 0.24 -1.22 0.70 -0.35 -0.36 0.00 0.00 175.35 174.37 2ja6 n PRO 877 N 3.65 -1.28 0.00 4.03 -0.04 -1.26 -5.11 135.00 134.98 2ja6 n PRO 877 Ca 0.10 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 2ja6 n PRO 877 Cb 0.41 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 2ja6 n PRO 877 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ja6 n GLN 878 N -2.89 0.00 0.00 0.54 -0.00 -1.26 -5.08 117.38 108.69 2ja6 n GLN 878 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 2ja6 n GLN 878 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.57 2ja6 n GLN 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2ja6 n ARG 879 N 0.00 0.00 -1.51 2.61 5.12 -1.26 -4.93 116.66 116.69 2ja6 n ARG 879 Ca 0.00 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2ja6 n ARG 879 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2ja6 n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2ja6 n THR 880 N 0.00 -1.04 0.00 0.55 -1.04 -1.26 -4.71 114.28 106.77 2ja6 n THR 880 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2ja6 n THR 880 Cb 0.00 -3.06 0.00 0.00 -1.82 0.00 0.00 70.33 65.45 2ja6 n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2ja6 n ASN 881 N -1.47 0.00 -0.36 8.00 3.02 -1.26 -3.60 115.26 119.60 2ja6 n ASN 881 Ca -0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 2ja6 n ASN 881 Cb 0.50 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.59 2ja6 n ASN 881 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2ja6 n THR 882 N 0.00 -0.58 0.00 3.41 -1.04 -1.26 -4.85 114.28 109.96 2ja6 n THR 882 Ca 0.00 2.21 0.00 0.00 -2.04 0.00 0.00 64.05 64.22 2ja6 n THR 882 Cb 0.00 -2.75 0.00 0.00 -1.82 0.00 0.00 70.33 65.76 2ja6 n THR 882 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2ja6 n LEU 883 N -4.95 0.00 -4.58 -4.42 4.77 -1.26 -4.95 117.00 101.61 2ja6 n LEU 883 Ca 0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.69 2ja6 n LEU 883 Cb 0.22 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2ja6 n LEU 883 CO -0.14 0.00 1.57 -0.13 -1.33 0.00 0.00 177.39 177.36 2ja6 s ARG 884 N -0.26 2.78 0.00 3.23 1.81 -1.26 -4.80 118.95 120.45 2ja6 s ARG 884 Ca 0.00 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 52.79 2ja6 s ARG 884 Cb 0.00 -5.28 0.00 0.00 -0.45 0.00 0.00 34.95 29.22 2ja6 s ARG 884 CO 0.00 -3.58 0.00 -1.33 -0.68 0.00 0.00 175.30 169.71 2ja6 n MET 885 N 8.38 2.37 -4.25 3.54 2.81 -1.26 -0.73 117.12 127.98 2ja6 n MET 885 Ca 0.45 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 56.20 2ja6 n MET 885 Cb 0.47 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.87 2ja6 n MET 885 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2ja6 s LYS 886 N 4.79 1.18 0.17 0.03 -0.14 -1.26 -4.87 119.74 119.64 2ja6 s LYS 886 Ca 0.00 -1.59 0.09 0.00 -1.36 0.00 0.00 55.97 53.10 2ja6 s LYS 886 Cb 0.00 -0.21 -0.09 0.00 -1.68 0.00 0.00 37.83 35.85 2ja6 s LYS 886 CO 0.00 -0.20 1.35 0.45 -0.76 0.00 0.00 175.35 176.19 2ja6 h HIS 887 N 2.62 0.00 -2.49 3.18 3.86 -2.00 -3.48 115.15 116.84 2ja6 h HIS 887 Ca -0.37 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.55 2ja6 h HIS 887 Cb 1.22 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.86 2ja6 h HIS 887 CO 0.50 0.87 -0.15 0.41 0.86 0.00 0.00 177.93 180.42 2ja6 n GLY 888 N 1.21 -3.26 3.41 2.45 0.00 -1.26 -4.95 105.19 102.78 2ja6 n GLY 888 Ca 0.00 -1.31 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 2ja6 n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ja6 s THR 889 N -2.09 5.05 -0.06 2.61 2.01 -1.26 -4.90 115.64 117.00 2ja6 s THR 889 Ca 0.52 -0.84 0.31 0.00 0.31 0.00 0.00 61.69 61.99 2ja6 s THR 889 Cb -0.09 -4.24 0.34 0.00 0.01 0.00 0.00 72.50 68.51 2ja6 s THR 889 CO 0.44 -0.74 1.91 1.88 -0.69 0.00 0.00 174.62 177.43 2ja6 h TYR 890 N 8.90 0.00 0.00 4.92 -1.99 -1.94 -3.31 116.97 123.55 2ja6 h TYR 890 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 2ja6 h TYR 890 Cb 1.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.83 2ja6 h TYR 890 CO 0.71 0.00 0.39 -0.25 -0.00 0.00 0.00 178.16 179.01 2ja6 n ASP 891 N -2.74 0.06 -0.38 3.88 8.00 -1.26 -0.66 116.55 123.45 2ja6 n ASP 891 Ca 0.01 0.25 0.13 0.00 0.71 0.00 0.00 54.79 55.88 2ja6 n ASP 891 Cb 0.23 -0.20 0.31 0.00 -0.02 0.00 0.00 41.12 41.44 2ja6 n ASP 891 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ja6 n LYS 892 N -1.41 1.16 -3.08 -1.24 5.02 -1.25 -4.89 118.16 112.48 2ja6 n LYS 892 Ca -0.00 -0.77 -0.39 0.00 -2.02 0.00 0.00 58.31 55.12 2ja6 n LYS 892 Cb 0.40 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 2ja6 n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ja6 s LEU 893 N -2.37 4.49 0.00 -0.35 1.43 0.16 -4.54 118.68 117.50 2ja6 s LEU 893 Ca 0.26 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 2ja6 s LEU 893 Cb 0.19 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2ja6 s LEU 893 CO 0.48 0.13 0.00 0.47 0.23 0.00 0.00 176.35 177.66 2ja6 n ASP 894 N 2.31 0.00 -0.00 2.29 9.92 0.20 -4.91 116.55 126.36 2ja6 n ASP 894 Ca -0.06 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.27 2ja6 n ASP 894 Cb 0.50 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.89 2ja6 n ASP 894 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ja6 n ASP 895 N 0.00 1.64 0.00 -2.24 9.92 -1.26 -4.17 116.55 120.45 2ja6 n ASP 895 Ca 0.00 -0.21 0.14 0.00 -0.53 0.00 0.00 54.79 54.19 2ja6 n ASP 895 Cb 0.00 1.44 0.82 0.00 -0.64 0.00 0.00 41.12 42.74 2ja6 n ASP 895 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2ja6 n ASP 896 N -1.78 0.00 -0.64 -2.24 5.68 -1.26 -4.47 116.55 111.84 2ja6 n ASP 896 Ca -0.01 -1.07 -0.04 0.00 -0.50 0.00 0.00 54.79 53.17 2ja6 n ASP 896 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2ja6 n ASP 896 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ja6 n GLY 897 N 0.88 0.37 3.23 6.12 0.00 -1.26 -4.57 105.19 109.96 2ja6 n GLY 897 Ca 0.21 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2ja6 n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja6 s LEU 898 N -1.44 1.29 0.12 0.99 1.43 -1.26 -1.29 118.68 118.52 2ja6 s LEU 898 Ca 0.03 -1.38 0.02 0.00 -1.03 0.00 0.00 54.13 51.77 2ja6 s LEU 898 Cb -0.02 0.28 -0.04 0.00 0.03 0.00 0.00 46.19 46.45 2ja6 s LEU 898 CO 0.04 -0.81 0.21 -0.63 0.23 0.00 0.00 176.35 175.39 2ja6 s ILE 899 N -4.05 5.06 0.02 -0.59 1.01 -1.26 -0.62 121.20 120.77 2ja6 s ILE 899 Ca 0.38 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 2ja6 s ILE 899 Cb 0.07 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 2ja6 s ILE 899 CO 0.12 -0.01 0.48 0.00 0.00 0.00 0.00 174.94 175.53 2ja6 s ALA 900 N -1.64 3.64 0.28 9.38 0.00 -1.26 -4.80 121.76 127.36 2ja6 s ALA 900 Ca 0.33 -0.12 0.15 0.00 0.00 0.00 0.00 51.96 52.33 2ja6 s ALA 900 Cb -0.11 -2.51 1.02 0.00 0.00 0.00 0.00 23.12 21.52 2ja6 s ALA 900 CO 0.26 0.40 1.22 -2.30 0.00 0.00 0.00 175.76 175.34 2ja6 n PRO 901 N 1.97 -0.05 -0.26 0.00 -0.02 -1.26 -1.22 135.00 134.16 2ja6 n PRO 901 Ca -0.12 1.07 -0.06 0.00 -2.02 0.00 0.00 63.50 62.37 2ja6 n PRO 901 Cb 0.52 -1.90 0.07 0.00 -0.02 0.00 0.00 33.50 32.16 2ja6 n PRO 901 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2ja6 h GLY 902 N 0.00 1.23 -3.97 -1.23 0.00 -1.93 -3.31 103.07 93.86 2ja6 h GLY 902 Ca 0.64 -0.72 -0.56 0.00 0.00 0.00 0.00 47.33 46.69 2ja6 h GLY 902 CO -0.60 0.68 -0.75 -0.62 0.00 0.00 0.00 176.54 175.25 2ja6 n VAL 903 N -4.25 0.86 -3.67 4.60 0.31 -0.36 -4.61 118.33 111.22 2ja6 n VAL 903 Ca 0.06 -0.44 -0.38 0.00 -0.01 0.00 0.00 64.34 63.57 2ja6 n VAL 903 Cb 0.22 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.05 2ja6 n VAL 903 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2ja6 s ARG 904 N -0.89 2.23 0.08 5.55 3.52 -1.26 -1.19 118.95 127.00 2ja6 s ARG 904 Ca 0.53 -1.81 -0.11 0.00 -0.13 0.00 0.00 55.73 54.21 2ja6 s ARG 904 Cb -0.63 -3.75 -0.06 0.00 -1.56 0.00 0.00 34.95 28.95 2ja6 s ARG 904 CO 0.54 -1.13 0.43 0.14 -0.81 0.00 0.00 175.30 174.47 2ja6 s VAL 905 N 1.22 5.04 0.00 7.11 -7.23 -0.39 -4.97 120.40 121.18 2ja6 s VAL 905 Ca 0.07 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.83 2ja6 s VAL 905 Cb -0.24 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.02 2ja6 s VAL 905 CO -0.03 0.32 0.00 -1.54 -0.31 0.00 0.00 175.10 173.54 2ja6 n SER 906 N 1.01 0.00 0.00 4.85 3.41 -1.26 -0.45 113.62 121.18 2ja6 n SER 906 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2ja6 n SER 906 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2ja6 n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ja6 n GLY 907 N 2.27 0.00 0.36 5.00 0.00 -1.26 -4.23 105.19 107.32 2ja6 n GLY 907 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2ja6 n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ja6 n GLU 908 N 0.00 2.75 -0.72 1.61 1.02 -1.26 -4.29 120.64 119.75 2ja6 n GLU 908 Ca 0.00 -1.76 -0.25 0.00 -0.02 0.00 0.00 57.16 55.14 2ja6 n GLU 908 Cb 0.00 -1.15 0.02 0.00 -0.02 0.00 0.00 31.44 30.29 2ja6 n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ja6 n ASP 909 N 0.09 -3.59 -4.88 1.62 9.92 -1.26 -3.56 116.55 114.88 2ja6 n ASP 909 Ca 0.06 0.21 -0.30 0.00 -0.53 0.00 0.00 54.79 54.24 2ja6 n ASP 909 Cb 0.34 -0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 2ja6 n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ja6 s VAL 910 N -1.34 4.85 0.00 2.53 1.01 -1.26 -1.55 120.40 124.64 2ja6 s VAL 910 Ca 0.30 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2ja6 s VAL 910 Cb -0.18 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2ja6 s VAL 910 CO 0.52 -0.49 0.05 -0.38 0.00 0.00 0.00 175.10 174.80 2ja6 n ILE 911 N -1.25 0.00 -3.68 2.22 5.41 -0.36 -4.82 119.36 116.87 2ja6 n ILE 911 Ca 0.01 -0.34 -0.10 0.00 1.00 0.00 0.00 62.75 63.33 2ja6 n ILE 911 Cb 0.54 1.04 -0.10 0.00 -0.71 0.00 0.00 39.64 40.41 2ja6 n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2ja6 s ILE 912 N -0.58 -0.16 -0.37 1.39 1.01 -1.17 -4.14 121.20 117.18 2ja6 s ILE 912 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.63 2ja6 s ILE 912 Cb 0.00 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.82 2ja6 s ILE 912 CO 0.00 0.04 0.24 -0.83 0.00 0.00 0.00 174.94 174.39 2ja6 s GLY 913 N 1.69 1.96 0.04 6.18 0.00 -0.41 -2.41 107.32 114.37 2ja6 s GLY 913 Ca -0.08 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.09 2ja6 s GLY 913 CO -0.13 0.83 -0.09 1.25 0.00 0.00 0.00 173.10 174.96 2ja6 s LYS 914 N 1.65 0.56 0.04 2.90 2.20 -1.25 -1.27 119.74 124.59 2ja6 s LYS 914 Ca 0.05 -0.75 -0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2ja6 s LYS 914 Cb -0.18 -0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 35.73 2ja6 s LYS 914 CO 0.09 0.07 -0.03 0.95 -0.36 0.00 0.00 175.35 176.07 2ja6 s THR 915 N -1.29 0.22 -0.06 3.43 -4.23 0.21 -2.13 115.64 111.80 2ja6 s THR 915 Ca -0.08 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 2ja6 s THR 915 Cb -0.10 -1.03 0.03 0.00 1.34 0.00 0.00 72.50 72.74 2ja6 s THR 915 CO 0.01 -0.78 0.01 -0.89 -0.54 0.00 0.00 174.62 172.42 2ja6 s THR 916 N -2.89 0.27 -0.02 3.99 2.01 -0.45 -1.10 115.64 117.45 2ja6 s THR 916 Ca -0.02 0.15 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 2ja6 s THR 916 Cb 0.00 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 2ja6 s THR 916 CO -0.06 0.22 0.72 -2.16 -0.69 0.00 0.00 174.62 172.65 2ja6 s PRO 917 N 1.74 4.45 -0.05 4.92 0.04 -1.26 -2.65 135.00 142.18 2ja6 s PRO 917 Ca 0.01 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 2ja6 s PRO 917 Cb -0.13 -3.41 0.04 0.00 0.04 0.00 0.00 34.50 31.04 2ja6 s PRO 917 CO -0.04 0.16 0.10 0.42 0.04 0.00 0.00 177.00 177.69 2ja6 s ILE 918 N 0.42 -0.14 -0.40 0.56 1.01 -1.26 -5.01 121.20 116.39 2ja6 s ILE 918 Ca 0.38 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.38 2ja6 s ILE 918 Cb -0.19 -0.19 0.11 0.00 0.01 0.00 0.00 42.46 42.20 2ja6 s ILE 918 CO 0.20 0.14 0.14 -0.94 0.00 0.00 0.00 174.94 174.47 2ja6 s SER 919 N 1.84 4.83 0.00 3.58 1.04 -1.26 -4.95 113.70 118.78 2ja6 s SER 919 Ca -0.00 -2.30 0.00 0.00 0.48 0.00 0.00 55.95 54.12 2ja6 s SER 919 Cb -0.12 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.31 2ja6 s SER 919 CO -0.04 -0.39 0.08 -1.54 0.98 0.00 0.00 173.24 172.32 2ja6 n SER 933 N 4.10 0.15 -4.05 7.02 3.41 -1.24 -5.36 113.62 117.67 2ja6 n SER 933 Ca 0.03 -0.48 -0.33 0.00 -0.26 0.00 0.00 58.87 57.83 2ja6 n SER 933 Cb 0.40 0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 64.65 2ja6 n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ja6 s LYS 934 N -0.43 1.88 -0.25 4.33 1.02 -1.26 -4.24 119.74 120.79 2ja6 s LYS 934 Ca 0.00 -2.10 -0.08 0.00 0.02 0.00 0.00 55.97 53.80 2ja6 s LYS 934 Cb 0.00 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2ja6 s LYS 934 CO 0.00 -1.05 0.11 1.03 -0.92 0.00 0.00 175.35 174.52 2ja6 s ARG 935 N 0.59 3.80 0.89 1.68 0.52 -1.09 -4.28 118.95 121.07 2ja6 s ARG 935 Ca 0.12 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 54.82 2ja6 s ARG 935 Cb -0.22 -3.41 0.13 0.00 0.52 0.00 0.00 34.95 31.97 2ja6 s ARG 935 CO -0.05 -0.12 1.14 0.34 0.02 0.00 0.00 175.30 176.64 2ja6 s ASP 936 N 1.47 3.16 0.00 0.23 -1.08 0.09 -1.34 116.67 119.21 2ja6 s ASP 936 Ca 0.06 2.13 0.00 0.00 -0.52 0.00 0.00 52.55 54.22 2ja6 s ASP 936 Cb -0.15 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2ja6 s ASP 936 CO 0.05 -2.94 0.60 0.00 0.52 0.00 0.00 175.17 173.40 2ja6 n ALA 937 N -4.12 2.27 -1.76 3.66 0.00 -0.90 -4.75 120.51 114.90 2ja6 n ALA 937 Ca 0.11 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 2ja6 n ALA 937 Cb 0.52 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 2ja6 n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ja6 s SER 938 N -0.20 7.01 -0.31 0.00 0.01 -1.24 -4.45 113.70 114.53 2ja6 s SER 938 Ca 0.00 2.32 -0.14 0.00 1.31 0.00 0.00 55.95 59.45 2ja6 s SER 938 Cb 0.00 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 2ja6 s SER 938 CO -0.00 -0.33 0.29 -0.89 0.41 0.00 0.00 173.24 172.72 2ja6 s THR 939 N -1.26 5.23 0.52 1.44 2.01 -1.01 -4.96 115.64 117.62 2ja6 s THR 939 Ca 0.49 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.58 2ja6 s THR 939 Cb -0.32 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 2ja6 s THR 939 CO 0.41 0.07 0.81 -2.16 -0.69 0.00 0.00 174.62 173.05 2ja6 s PRO 940 N 1.90 3.11 0.62 4.92 0.04 -1.26 -1.23 135.00 143.10 2ja6 s PRO 940 Ca 0.10 -0.10 -0.15 0.00 0.04 0.00 0.00 61.00 60.89 2ja6 s PRO 940 Cb -0.16 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 2ja6 s PRO 940 CO 0.11 -0.46 1.07 -1.17 0.04 0.00 0.00 177.00 176.60 2ja6 s LEU 941 N -4.80 3.43 -0.47 -3.56 2.96 -0.60 -4.84 118.68 110.81 2ja6 s LEU 941 Ca 0.51 1.86 -0.27 0.00 -0.22 0.00 0.00 54.13 56.01 2ja6 s LEU 941 Cb -0.10 -4.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.02 2ja6 s LEU 941 CO 0.43 -1.34 2.03 -0.13 -1.32 0.00 0.00 176.35 176.02 2ja6 s ARG 942 N -4.15 2.72 0.00 1.98 0.52 -1.26 -4.65 118.95 114.10 2ja6 s ARG 942 Ca 0.64 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.03 2ja6 s ARG 942 Cb -0.17 -4.39 0.00 0.00 0.52 0.00 0.00 34.95 30.91 2ja6 s ARG 942 CO 0.40 -2.59 0.00 -1.13 0.02 0.00 0.00 175.30 172.00 2ja6 n SER 943 N 12.86 0.00 -0.07 0.23 3.41 -1.26 0.27 113.62 129.06 2ja6 n SER 943 Ca 0.26 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.75 2ja6 n SER 943 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 2ja6 n SER 943 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2ja6 h THR 944 N 0.00 1.22 -2.15 6.66 1.35 -1.88 -3.42 112.91 114.69 2ja6 h THR 944 Ca 0.00 -2.01 -0.40 0.00 -0.55 0.00 0.00 66.41 63.46 2ja6 h THR 944 Cb 0.00 2.40 0.21 0.00 -1.73 0.00 0.00 68.15 69.03 2ja6 h THR 944 CO 0.00 0.41 -0.96 -0.62 -0.25 0.00 0.00 175.52 174.10 2ja6 n GLU 945 N -4.61 -1.82 -3.61 4.72 1.02 0.14 -4.92 120.64 111.56 2ja6 n GLU 945 Ca -0.12 -0.52 -0.04 0.00 -0.02 0.00 0.00 57.16 56.46 2ja6 n GLU 945 Cb 0.42 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 2ja6 n GLU 945 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ja6 s ASN 946 N -1.87 -0.10 0.00 1.62 4.22 -1.26 -4.40 114.94 113.15 2ja6 s ASN 946 Ca 0.50 0.01 0.00 0.00 -2.14 0.00 0.00 52.86 51.23 2ja6 s ASN 946 Cb -0.09 0.10 0.00 0.00 1.28 0.00 0.00 41.25 42.55 2ja6 s ASN 946 CO 0.58 -0.17 0.00 0.61 -2.04 0.00 0.00 177.10 176.08 2ja6 n GLY 947 N -0.02 -0.43 3.25 0.45 0.00 0.41 -4.82 105.19 104.03 2ja6 n GLY 947 Ca 0.02 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 2ja6 n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ja6 s ILE 948 N -4.00 1.95 0.87 -0.61 1.01 -0.69 -1.26 121.20 118.47 2ja6 s ILE 948 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 2ja6 s ILE 948 Cb 0.00 -1.64 0.10 0.00 0.01 0.00 0.00 42.46 40.93 2ja6 s ILE 948 CO 0.00 0.54 1.03 0.52 0.00 0.00 0.00 174.94 177.04 2ja6 n VAL 949 N 2.86 0.86 0.00 2.92 0.31 -0.33 -0.27 118.33 124.68 2ja6 n VAL 949 Ca -0.17 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2ja6 n VAL 949 Cb 0.52 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 2ja6 n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ja6 n ASP 950 N -3.27 1.31 0.00 4.52 2.03 0.12 -4.56 116.55 116.69 2ja6 n ASP 950 Ca 0.12 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2ja6 n ASP 950 Cb 0.51 0.34 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 2ja6 n ASP 950 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2ja6 n GLN 951 N -0.47 0.00 -3.60 -0.67 7.27 -1.16 -4.93 117.38 113.82 2ja6 n GLN 951 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.87 2ja6 n GLN 951 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 2ja6 n GLN 951 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2ja6 s VAL 952 N 0.00 3.57 -0.28 1.69 1.01 -1.26 -1.94 120.40 123.18 2ja6 s VAL 952 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 2ja6 s VAL 952 Cb 0.00 -3.22 0.10 0.00 0.00 0.00 0.00 36.38 33.26 2ja6 s VAL 952 CO 0.00 -0.13 0.66 -1.48 0.00 0.00 0.00 175.10 174.14 2ja6 s LEU 953 N -4.10 -1.00 -0.15 3.92 2.34 -0.83 -4.99 118.68 113.86 2ja6 s LEU 953 Ca 0.44 1.51 -0.08 0.00 0.06 0.00 0.00 54.13 56.07 2ja6 s LEU 953 Cb -0.07 2.30 -0.04 0.00 -0.56 0.00 0.00 46.19 47.81 2ja6 s LEU 953 CO 0.29 -0.23 0.12 -0.69 -1.06 0.00 0.00 176.35 174.78 2ja6 s VAL 954 N 2.19 5.31 0.31 1.48 1.01 -1.26 -2.63 120.40 126.81 2ja6 s VAL 954 Ca -0.08 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2ja6 s VAL 954 Cb -0.08 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 2ja6 s VAL 954 CO -0.19 0.54 0.46 -0.89 0.00 0.00 0.00 175.10 175.01 2ja6 s THR 955 N -0.37 0.00 0.06 3.92 2.01 0.48 -4.99 115.64 116.75 2ja6 s THR 955 Ca 0.11 -1.57 0.05 0.00 0.31 0.00 0.00 61.69 60.59 2ja6 s THR 955 Cb -0.12 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 2ja6 s THR 955 CO 0.01 0.00 -0.08 -0.89 -0.69 0.00 0.00 174.62 172.97 2ja6 s THR 956 N -3.32 3.51 -0.12 -0.82 2.01 -1.26 0.12 115.64 115.77 2ja6 s THR 956 Ca 0.29 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2ja6 s THR 956 Cb -0.00 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 2ja6 s THR 956 CO 0.17 0.24 -0.17 0.21 -0.69 0.00 0.00 174.62 174.38 2ja6 s ASN 957 N -1.85 3.70 0.00 3.53 2.47 -0.68 -4.84 114.94 117.26 2ja6 s ASN 957 Ca 0.20 -0.40 0.00 0.00 0.42 0.00 0.00 52.86 53.08 2ja6 s ASN 957 Cb -0.11 -1.50 0.00 0.00 -1.45 0.00 0.00 41.25 38.19 2ja6 s ASN 957 CO 0.11 0.17 0.00 0.00 -3.72 0.00 0.00 177.10 173.66 2ja6 n GLN 958 N 3.46 0.00 0.00 0.43 6.02 -1.26 0.25 117.38 126.28 2ja6 n GLN 958 Ca -0.18 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.84 2ja6 n GLN 958 Cb 0.53 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.96 2ja6 n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ja6 n ASP 959 N -0.26 0.00 -0.29 1.08 8.00 -1.26 -3.91 116.55 119.91 2ja6 n ASP 959 Ca 0.00 -0.61 -0.03 0.00 0.71 0.00 0.00 54.79 54.86 2ja6 n ASP 959 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2ja6 n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ja6 n GLY 960 N -0.15 0.52 3.82 0.44 0.00 0.70 -5.03 105.19 105.49 2ja6 n GLY 960 Ca 0.04 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2ja6 n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja6 s LEU 961 N -0.82 4.49 -0.09 0.99 1.43 -1.13 -4.81 118.68 118.73 2ja6 s LEU 961 Ca 0.00 1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.86 2ja6 s LEU 961 Cb 0.00 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 2ja6 s LEU 961 CO 0.00 0.30 1.72 -0.54 0.23 0.00 0.00 176.35 178.05 2ja6 s LYS 962 N -1.02 4.02 -0.23 1.70 1.02 -1.26 -1.69 119.74 122.29 2ja6 s LYS 962 Ca 0.25 2.11 -0.03 0.00 0.02 0.00 0.00 55.97 58.32 2ja6 s LYS 962 Cb -0.18 -4.04 -0.00 0.00 -0.52 0.00 0.00 37.83 33.09 2ja6 s LYS 962 CO 0.15 -1.04 -0.05 0.12 -0.92 0.00 0.00 175.35 173.61 2ja6 s PHE 963 N 4.62 2.97 -0.00 3.18 5.36 0.32 -2.68 117.98 131.74 2ja6 s PHE 963 Ca 0.76 -1.07 0.06 0.00 -0.96 0.00 0.00 56.93 55.73 2ja6 s PHE 963 Cb -0.32 -2.10 -0.02 0.00 -0.34 0.00 0.00 43.02 40.24 2ja6 s PHE 963 CO 0.31 -0.59 -0.20 0.08 -1.46 0.00 0.00 175.22 173.37 2ja6 s VAL 964 N 1.45 1.55 -0.09 3.12 1.01 -0.54 -0.39 120.40 126.52 2ja6 s VAL 964 Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2ja6 s VAL 964 Cb -0.15 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2ja6 s VAL 964 CO -0.04 0.38 -0.12 -0.54 0.00 0.00 0.00 175.10 174.78 2ja6 s LYS 965 N -0.61 1.79 -0.08 2.72 1.02 -1.08 -2.05 119.74 121.44 2ja6 s LYS 965 Ca 0.07 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.66 2ja6 s LYS 965 Cb -0.08 -1.56 -0.02 0.00 -0.52 0.00 0.00 37.83 35.65 2ja6 s LYS 965 CO -0.00 -0.05 -0.12 0.08 -0.92 0.00 0.00 175.35 174.33 2ja6 s VAL 966 N 0.95 3.22 -0.12 3.17 1.01 -0.96 -1.96 120.40 125.71 2ja6 s VAL 966 Ca -0.09 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2ja6 s VAL 966 Cb -0.15 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2ja6 s VAL 966 CO 0.00 0.56 -0.22 -0.60 0.00 0.00 0.00 175.10 174.84 2ja6 s ARG 967 N -0.33 2.97 -0.09 2.72 3.52 -0.82 -1.31 118.95 125.61 2ja6 s ARG 967 Ca 0.03 -0.84 -0.01 0.00 -0.13 0.00 0.00 55.73 54.78 2ja6 s ARG 967 Cb -0.13 -2.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.91 2ja6 s ARG 967 CO 0.02 0.07 -0.05 0.08 -0.81 0.00 0.00 175.30 174.62 2ja6 s VAL 968 N 0.61 3.84 -0.01 7.11 1.01 -0.44 0.10 120.40 132.62 2ja6 s VAL 968 Ca -0.13 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.48 2ja6 s VAL 968 Cb -0.17 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2ja6 s VAL 968 CO 0.03 0.57 -0.10 -0.60 0.00 0.00 0.00 175.10 175.01 2ja6 s ARG 969 N -0.51 2.50 0.03 2.72 3.00 0.63 -1.86 118.95 125.46 2ja6 s ARG 969 Ca 0.08 -0.73 -0.04 0.00 -1.00 0.00 0.00 55.73 54.04 2ja6 s ARG 969 Cb -0.12 -2.45 -0.01 0.00 0.00 0.00 0.00 34.95 32.37 2ja6 s ARG 969 CO 0.02 0.61 0.06 0.99 0.00 0.00 0.00 175.30 176.98 2ja6 s THR 970 N -0.92 0.12 -0.19 4.11 2.01 -0.81 -1.71 115.64 118.25 2ja6 s THR 970 Ca 0.15 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 2ja6 s THR 970 Cb -0.11 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 2ja6 s THR 970 CO 0.05 -0.56 -0.04 -0.89 -0.69 0.00 0.00 174.62 172.49 2ja6 s THR 971 N -2.12 3.60 -0.17 -0.82 2.01 -1.26 -1.20 115.64 115.67 2ja6 s THR 971 Ca -0.09 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 2ja6 s THR 971 Cb -0.04 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2ja6 s THR 971 CO -0.03 0.45 0.03 -0.54 -0.69 0.00 0.00 174.62 173.85 2ja6 s LYS 972 N 0.96 3.88 -0.12 4.92 1.02 -0.82 -5.01 119.74 124.56 2ja6 s LYS 972 Ca 0.00 -0.40 -0.06 0.00 0.02 0.00 0.00 55.97 55.53 2ja6 s LYS 972 Cb -0.15 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2ja6 s LYS 972 CO 0.01 0.26 0.11 0.42 -0.92 0.00 0.00 175.35 175.23 2ja6 s ILE 973 N 0.37 5.27 0.06 2.17 1.01 -1.26 -2.98 121.20 125.85 2ja6 s ILE 973 Ca 0.01 0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.47 2ja6 s ILE 973 Cb -0.13 -3.29 -0.10 0.00 0.01 0.00 0.00 42.46 38.95 2ja6 s ILE 973 CO 0.01 0.60 1.91 -0.81 0.00 0.00 0.00 174.94 176.65 2ja6 n PRO 974 N 2.14 2.78 -0.59 2.79 -0.04 -1.26 -4.94 135.00 135.87 2ja6 n PRO 974 Ca -0.19 1.02 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 2ja6 n PRO 974 Cb 0.55 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2ja6 n PRO 974 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ja6 n GLN 975 N 6.67 3.03 0.12 0.54 7.27 -1.26 -5.06 117.38 128.69 2ja6 n GLN 975 Ca 0.19 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.03 2ja6 n GLN 975 Cb 0.38 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.88 2ja6 n GLN 975 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2ja6 h ILE 976 N 0.25 1.35 0.00 1.69 2.04 -1.92 -3.33 117.51 117.59 2ja6 h ILE 976 Ca 0.00 -2.64 -0.04 0.00 1.00 0.00 0.00 64.86 63.18 2ja6 h ILE 976 Cb 0.00 3.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 2ja6 h ILE 976 CO 0.00 0.78 -0.20 1.23 0.00 0.00 0.00 178.15 179.96 2ja6 h GLY 977 N -0.01 0.00 -3.83 5.37 0.00 -1.93 -3.20 103.07 99.47 2ja6 h GLY 977 Ca -0.22 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.51 2ja6 h GLY 977 CO 0.24 0.00 -0.16 1.22 0.00 0.00 0.00 176.54 177.84 2ja6 n ASP 978 N -3.31 0.03 -4.92 0.19 9.92 -1.25 -4.35 116.55 112.85 2ja6 n ASP 978 Ca 0.01 0.96 -0.28 0.00 -0.53 0.00 0.00 54.79 54.95 2ja6 n ASP 978 Cb 0.44 -1.22 -0.03 0.00 -0.64 0.00 0.00 41.12 39.67 2ja6 n ASP 978 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2ja6 s LYS 979 N -1.80 3.54 0.09 -1.24 2.20 -1.25 -2.07 119.74 119.21 2ja6 s LYS 979 Ca 0.64 -0.29 -0.17 0.00 -0.36 0.00 0.00 55.97 55.79 2ja6 s LYS 979 Cb -0.58 -2.82 0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2ja6 s LYS 979 CO 0.57 0.39 0.40 -0.06 -0.36 0.00 0.00 175.35 176.29 2ja6 s PHE 980 N -1.87 -0.23 -0.10 4.03 2.99 -0.55 -4.13 117.98 118.12 2ja6 s PHE 980 Ca 0.39 0.03 -0.30 0.00 0.00 0.00 0.00 56.93 57.04 2ja6 s PHE 980 Cb -0.11 0.24 0.09 0.00 0.00 0.00 0.00 43.02 43.24 2ja6 s PHE 980 CO 0.29 -0.64 0.80 0.00 -0.00 0.00 0.00 175.22 175.67 2ja6 s ALA 981 N -3.23 -1.83 0.92 5.36 0.00 -0.96 -1.18 121.76 120.84 2ja6 s ALA 981 Ca -0.01 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2ja6 s ALA 981 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2ja6 s ALA 981 CO -0.08 -0.34 0.00 -1.13 0.00 0.00 0.00 175.76 174.21 2ja6 n SER 982 N 0.90 0.00 -1.71 0.00 3.41 -1.26 0.04 113.62 115.00 2ja6 n SER 982 Ca -0.16 -0.11 -0.16 0.00 -0.26 0.00 0.00 58.87 58.19 2ja6 n SER 982 Cb 0.57 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.69 2ja6 n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ja6 n ARG 983 N -0.11 2.15 -2.39 4.33 1.74 -1.26 -4.40 116.66 116.72 2ja6 n ARG 983 Ca 0.00 -3.19 -0.01 0.00 -0.77 0.00 0.00 57.85 53.88 2ja6 n ARG 983 Cb 0.00 -2.02 0.05 0.00 -1.02 0.00 0.00 32.46 29.47 2ja6 n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2ja6 n HIS 984 N -1.10 1.05 -3.88 -1.55 8.25 -1.26 -4.72 115.22 112.02 2ja6 n HIS 984 Ca 0.46 -1.75 -0.27 0.00 -0.26 0.00 0.00 57.72 55.91 2ja6 n HIS 984 Cb 1.24 -0.22 0.02 0.00 1.12 0.00 0.00 29.99 32.14 2ja6 n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ja6 n GLY 985 N -0.37 -0.37 2.34 -1.41 0.00 -1.25 -4.85 105.19 99.29 2ja6 n GLY 985 Ca 0.10 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2ja6 n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ja6 n GLN 986 N -4.47 3.03 -1.68 1.61 -0.06 -1.26 -4.97 117.38 109.58 2ja6 n GLN 986 Ca -0.13 -3.68 -0.39 0.00 -2.00 0.00 0.00 57.00 50.80 2ja6 n GLN 986 Cb 0.60 -2.28 0.04 0.00 -4.06 0.00 0.00 30.24 24.54 2ja6 n GLN 986 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 2ja6 n LYS 987 N -0.77 1.43 -3.64 3.69 2.85 -1.26 -4.10 118.16 116.36 2ja6 n LYS 987 Ca 0.54 0.53 -0.03 0.00 -1.05 0.00 0.00 58.31 58.30 2ja6 n LYS 987 Cb 0.68 -2.34 -0.05 0.00 -0.65 0.00 0.00 35.03 32.67 2ja6 n LYS 987 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2ja6 s GLY 988 N -0.94 0.13 0.42 2.58 0.00 -0.32 -4.88 107.32 104.30 2ja6 s GLY 988 Ca 0.70 2.94 0.08 0.00 0.00 0.00 0.00 44.72 48.44 2ja6 s GLY 988 CO 0.51 1.27 0.41 -0.51 0.00 0.00 0.00 173.10 174.78 2ja6 s THR 989 N -0.81 2.74 0.60 0.90 -4.23 -1.20 -1.48 115.64 112.15 2ja6 s THR 989 Ca 0.08 -1.28 -0.16 0.00 -1.18 0.00 0.00 61.69 59.15 2ja6 s THR 989 Cb -0.02 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 2ja6 s THR 989 CO -0.09 -0.00 1.07 -0.63 -0.54 0.00 0.00 174.62 174.43 2ja6 s ILE 990 N -2.45 3.68 -0.03 2.99 1.01 -0.88 0.04 121.20 125.56 2ja6 s ILE 990 Ca 0.49 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.95 2ja6 s ILE 990 Cb -0.04 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 2ja6 s ILE 990 CO 0.29 -0.46 -0.02 0.61 0.00 0.00 0.00 174.94 175.36 2ja6 n GLY 991 N -0.83 -0.04 3.48 6.18 0.00 -0.84 -4.53 105.19 108.61 2ja6 n GLY 991 Ca 0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2ja6 n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ja6 s ILE 992 N -2.06 0.02 0.03 -0.61 2.07 -1.26 -4.95 121.20 114.44 2ja6 s ILE 992 Ca -0.04 -0.48 0.09 0.00 -1.41 0.00 0.00 60.65 58.81 2ja6 s ILE 992 Cb 0.01 -1.33 -0.03 0.00 0.13 0.00 0.00 42.46 41.24 2ja6 s ILE 992 CO 0.06 -0.10 -0.26 0.42 -1.91 0.00 0.00 174.94 173.15 2ja6 s THR 993 N -3.82 2.15 0.40 4.00 -4.23 -1.26 -2.12 115.64 110.76 2ja6 s THR 993 Ca 0.05 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 2ja6 s THR 993 Cb -0.01 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 2ja6 s THR 993 CO -0.07 0.41 0.15 -0.31 -0.54 0.00 0.00 174.62 174.26 2ja6 s TYR 994 N -0.77 1.77 0.18 3.99 1.51 -0.91 -4.80 117.35 118.31 2ja6 s TYR 994 Ca 0.11 -1.35 0.07 0.00 -1.01 0.00 0.00 57.07 54.89 2ja6 s TYR 994 Cb -0.10 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 2ja6 s TYR 994 CO 0.02 -0.40 -0.14 1.03 -1.11 0.00 0.00 175.55 174.95 2ja6 s ARG 995 N -3.67 1.22 0.34 -0.62 0.52 -1.26 0.46 118.95 115.93 2ja6 s ARG 995 Ca 0.26 -1.49 0.25 0.00 -0.52 0.00 0.00 55.73 54.23 2ja6 s ARG 995 Cb 0.02 -1.00 1.14 0.00 0.52 0.00 0.00 34.95 35.64 2ja6 s ARG 995 CO 0.17 0.17 1.20 0.54 0.02 0.00 0.00 175.30 177.39 2ja6 n ARG 996 N -0.15 -0.03 -0.12 3.54 1.74 -1.26 -0.10 116.66 120.27 2ja6 n ARG 996 Ca -0.10 0.97 -0.11 0.00 -0.77 0.00 0.00 57.85 57.84 2ja6 n ARG 996 Cb 0.60 -1.90 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 2ja6 n ARG 996 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2ja6 h GLU 997 N 0.00 0.70 0.00 5.56 3.07 -1.95 -3.00 114.58 118.96 2ja6 h GLU 997 Ca 0.68 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 2ja6 h GLU 997 Cb 2.17 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 30.04 2ja6 h GLU 997 CO -0.37 0.86 -0.58 -0.44 -1.40 0.00 0.00 179.01 177.07 2ja6 h ASP 998 N 0.50 0.00 -3.85 1.42 3.32 -0.76 -3.38 116.42 113.66 2ja6 h ASP 998 Ca 0.09 -0.18 -0.51 0.00 0.02 0.00 0.00 57.03 56.45 2ja6 h ASP 998 Cb 0.60 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.19 2ja6 h ASP 998 CO 0.04 0.09 0.57 -0.32 -1.72 0.00 0.00 179.24 177.89 2ja6 s MET 999 N -3.18 4.47 0.32 3.56 1.75 0.17 -4.24 119.30 122.15 2ja6 s MET 999 Ca 0.06 2.04 -0.28 0.00 -1.25 0.00 0.00 55.69 56.26 2ja6 s MET 999 Cb 0.13 -3.11 -0.09 0.00 2.84 0.00 0.00 34.83 34.59 2ja6 s MET 999 CO 0.71 -0.03 1.15 -1.25 -0.65 0.00 0.00 175.02 174.96 2ja6 s PRO 1000N -1.66 4.44 0.14 4.11 0.04 -1.26 -3.83 135.00 136.97 2ja6 s PRO 1000Ca 0.47 1.88 0.05 0.00 0.04 0.00 0.00 61.00 63.44 2ja6 s PRO 1000Cb -0.36 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2ja6 s PRO 1000CO 0.48 0.01 -0.11 -0.59 0.04 0.00 0.00 177.00 176.82 2ja6 s PHE 1001N -1.24 1.26 -0.21 0.56 -0.12 -0.62 -4.37 117.98 113.25 2ja6 s PHE 1001Ca 0.49 -0.70 -0.10 0.00 -0.05 0.00 0.00 56.93 56.56 2ja6 s PHE 1001Cb -0.33 -0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 41.36 2ja6 s PHE 1001CO 0.42 0.09 0.14 -0.08 -0.05 0.00 0.00 175.22 175.74 2ja6 s THR 1002N -2.96 5.37 0.25 -4.49 -1.32 -0.83 0.11 115.64 111.78 2ja6 s THR 1002Ca 0.13 0.18 0.14 0.00 -1.21 0.00 0.00 61.69 60.94 2ja6 s THR 1002Cb 0.00 -3.47 0.24 0.00 -1.51 0.00 0.00 72.50 67.76 2ja6 s THR 1002CO 0.01 0.41 1.09 0.00 -2.21 0.00 0.00 174.62 173.92 2ja6 n ALA 1003N 3.77 0.71 -0.39 11.08 0.00 -1.26 0.41 120.51 134.83 2ja6 n ALA 1003Ca -0.16 0.70 0.38 0.00 0.00 0.00 0.00 53.44 54.37 2ja6 n ALA 1003Cb 0.52 -0.70 0.76 0.00 0.00 0.00 0.00 19.45 20.03 2ja6 n ALA 1003CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ja6 h GLU 1004N 0.00 0.01 0.00 0.00 4.39 -1.93 -3.44 114.58 113.61 2ja6 h GLU 1004Ca 0.59 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.28 2ja6 h GLU 1004Cb 1.55 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2ja6 h GLU 1004CO -0.53 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 177.73 2ja6 n GLY 1005N -1.79 1.17 3.48 -3.84 0.00 1.36 -5.09 105.19 100.47 2ja6 n GLY 1005Ca 0.29 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2ja6 n GLY 1005CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ja6 n ILE 1006N 0.00 1.62 -3.78 -0.61 -5.35 -1.22 -4.65 119.36 105.38 2ja6 n ILE 1006Ca 0.00 -0.36 -0.13 0.00 -0.27 0.00 0.00 62.75 62.00 2ja6 n ILE 1006Cb 0.00 -0.78 -0.09 0.00 -1.74 0.00 0.00 39.64 37.04 2ja6 n ILE 1006CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2ja6 s VAL 1007N -1.98 0.07 0.47 7.28 0.11 -1.26 -1.96 120.40 123.12 2ja6 s VAL 1007Ca 0.65 -0.55 -0.21 0.00 -2.93 0.00 0.00 61.98 58.94 2ja6 s VAL 1007Cb -0.32 -0.63 -0.08 0.00 -1.53 0.00 0.00 36.38 33.81 2ja6 s VAL 1007CO 0.58 -0.31 1.06 -2.16 -3.33 0.00 0.00 175.10 170.95 2ja6 s PRO 1008N -1.53 3.82 -0.09 1.54 0.04 -1.26 -4.95 135.00 132.58 2ja6 s PRO 1008Ca -0.12 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 2ja6 s PRO 1008Cb -0.05 -2.21 -0.26 0.00 0.04 0.00 0.00 34.50 32.02 2ja6 s PRO 1008CO 0.03 -0.43 0.50 -0.44 0.04 0.00 0.00 177.00 176.69 2ja6 h ASP 1009N 1.77 0.35 -1.59 6.66 3.32 -0.61 -3.39 116.42 122.93 2ja6 h ASP 1009Ca -0.49 -0.73 -0.60 0.00 0.02 0.00 0.00 57.03 55.23 2ja6 h ASP 1009Cb 1.23 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.56 2ja6 h ASP 1009CO 0.60 1.65 -0.54 -0.76 -1.72 0.00 0.00 179.24 178.46 2ja6 s LEU 1010N -6.87 2.99 -0.50 1.55 1.02 -1.16 -1.04 118.68 114.68 2ja6 s LEU 1010Ca -0.17 -1.23 0.06 0.00 0.02 0.00 0.00 54.13 52.82 2ja6 s LEU 1010Cb 0.07 -1.18 0.23 0.00 0.02 0.00 0.00 46.19 45.33 2ja6 s LEU 1010CO 0.80 -0.51 0.85 -0.38 0.02 0.00 0.00 176.35 177.12 2ja6 n ILE 1011N -1.12 0.00 -2.96 -0.59 5.41 -0.33 -3.53 119.36 116.25 2ja6 n ILE 1011Ca -0.03 -1.36 -0.40 0.00 1.00 0.00 0.00 62.75 61.96 2ja6 n ILE 1011Cb 0.66 1.36 -0.06 0.00 -0.71 0.00 0.00 39.64 40.89 2ja6 n ILE 1011CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 2ja6 s ILE 1012N 0.75 4.38 0.16 1.39 -4.36 -1.19 -3.03 121.20 119.30 2ja6 s ILE 1012Ca 0.31 1.74 -0.31 0.00 -0.26 0.00 0.00 60.65 62.13 2ja6 s ILE 1012Cb 0.17 -4.16 -0.09 0.00 1.25 0.00 0.00 42.46 39.63 2ja6 s ILE 1012CO -0.19 0.50 1.43 0.21 0.24 0.00 0.00 174.94 177.13 2ja6 s ASN 1013N -1.02 6.75 0.37 4.36 3.84 -1.25 -1.43 114.94 126.56 2ja6 s ASN 1013Ca 0.37 2.45 0.18 0.00 0.21 0.00 0.00 52.86 56.06 2ja6 s ASN 1013Cb -0.23 -2.60 1.13 0.00 -0.55 0.00 0.00 41.25 39.00 2ja6 s ASN 1013CO 0.26 -0.68 1.69 1.55 -2.79 0.00 0.00 177.10 177.13 2ja6 h PRO 1014N 6.37 0.32 -0.47 0.43 0.13 -1.84 -2.45 132.00 134.48 2ja6 h PRO 1014Ca -0.43 -0.02 0.14 0.00 -0.87 0.00 0.00 66.00 64.82 2ja6 h PRO 1014Cb 1.21 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2ja6 h PRO 1014CO 0.85 0.21 0.47 0.45 -0.23 0.00 0.00 178.00 179.75 2ja6 h HIS 1015N 0.33 0.00 -0.20 1.56 3.86 -1.96 -2.80 115.15 115.94 2ja6 h HIS 1015Ca 0.71 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.85 2ja6 h HIS 1015Cb 1.75 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.18 2ja6 h HIS 1015CO -0.01 0.00 0.09 0.00 0.86 0.00 0.00 177.93 178.87 2ja6 n ALA 1016N -2.39 3.08 -0.01 2.45 0.00 -0.92 -4.17 120.51 118.54 2ja6 n ALA 1016Ca 0.09 -0.62 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 2ja6 n ALA 1016Cb 0.66 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 2ja6 n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ja6 n ILE 1017N 0.12 1.24 -0.30 0.00 2.08 -1.05 -4.58 119.36 116.87 2ja6 n ILE 1017Ca 0.11 0.25 -0.08 0.00 0.56 0.00 0.00 62.75 63.59 2ja6 n ILE 1017Cb 0.65 -1.85 -0.07 0.00 -0.75 0.00 0.00 39.64 37.62 2ja6 n ILE 1017CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2ja6 n PRO 1018N -3.82 -0.31 0.10 0.38 -0.02 -1.26 -0.77 135.00 129.30 2ja6 n PRO 1018Ca -0.07 1.28 -0.01 0.00 -2.02 0.00 0.00 63.50 62.68 2ja6 n PRO 1018Cb 0.26 -1.88 0.27 0.00 -0.02 0.00 0.00 33.50 32.13 2ja6 n PRO 1018CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2ja6 h SER 1019N 0.00 0.23 0.55 2.55 4.64 -1.89 -2.53 113.55 117.10 2ja6 h SER 1019Ca 0.11 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 2ja6 h SER 1019Cb 0.29 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2ja6 h SER 1019CO -0.67 0.56 -0.58 0.03 -0.87 0.00 0.00 176.83 175.30 2ja6 h ARG 1020N 0.20 0.03 -6.37 4.77 2.47 -1.63 -3.46 114.38 110.39 2ja6 h ARG 1020Ca 0.03 -0.02 -0.48 0.00 -1.26 0.00 0.00 59.98 58.25 2ja6 h ARG 1020Cb 0.69 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.99 2ja6 h ARG 1020CO 0.05 0.61 -0.86 -1.33 0.56 0.00 0.00 179.97 179.00 2ja6 n MET 1021N -3.85 -3.95 -3.70 0.04 2.81 0.05 -4.48 117.12 104.04 2ja6 n MET 1021Ca -0.01 0.48 -0.38 0.00 -1.81 0.00 0.00 57.70 55.99 2ja6 n MET 1021Cb 0.59 -4.83 -0.10 0.00 -0.71 0.00 0.00 33.22 28.17 2ja6 n MET 1021CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2ja6 s THR 1022N -3.79 3.71 -0.10 2.03 -1.32 -1.25 -2.99 115.64 111.93 2ja6 s THR 1022Ca 0.09 -2.38 -0.05 0.00 -1.21 0.00 0.00 61.69 58.14 2ja6 s THR 1022Cb -0.05 -3.46 -0.26 0.00 -1.51 0.00 0.00 72.50 67.22 2ja6 s THR 1022CO 0.86 -0.79 0.44 0.58 -2.21 0.00 0.00 174.62 173.50 2ja6 h VAL 1023N 5.83 0.69 -1.34 5.08 2.07 -1.90 -3.35 116.25 123.33 2ja6 h VAL 1023Ca -0.09 -2.41 0.45 0.00 0.82 0.00 0.00 66.70 65.47 2ja6 h VAL 1023Cb 1.01 2.52 -0.13 0.00 -1.52 0.00 0.00 31.29 33.18 2ja6 h VAL 1023CO 0.74 0.85 0.86 0.00 0.02 0.00 0.00 177.57 180.03 2ja6 h ALA 1024N 0.20 2.76 -0.02 1.67 0.00 -1.85 4.19 119.26 126.22 2ja6 h ALA 1024Ca -0.40 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2ja6 h ALA 1024Cb 2.04 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 2ja6 h ALA 1024CO 0.10 -1.41 -0.11 1.25 0.00 0.00 0.00 179.25 179.07 2ja6 h HIS 1025N 0.06 -0.29 -0.97 0.00 6.17 -1.87 -0.03 115.15 118.22 2ja6 h HIS 1025Ca 0.84 0.01 0.10 0.00 0.71 0.00 0.00 60.37 62.03 2ja6 h HIS 1025Cb 2.65 0.13 -0.07 0.00 2.52 0.00 0.00 27.41 32.64 2ja6 h HIS 1025CO -0.01 -0.17 0.62 -0.07 0.71 0.00 0.00 177.93 179.01 2ja6 h LEU 1026N -0.18 0.93 0.24 0.26 3.38 0.79 -2.91 115.31 117.81 2ja6 h LEU 1026Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2ja6 h LEU 1026Cb 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2ja6 h LEU 1026CO -0.13 0.54 -0.12 0.40 0.09 0.00 0.00 178.44 179.23 2ja6 h ILE 1027N 1.03 0.77 -1.20 1.22 2.04 -0.60 -3.10 117.51 117.66 2ja6 h ILE 1027Ca 0.45 -0.81 0.45 0.00 1.00 0.00 0.00 64.86 65.94 2ja6 h ILE 1027Cb 0.36 1.18 -0.16 0.00 -0.74 0.00 0.00 36.82 37.46 2ja6 h ILE 1027CO -0.21 0.16 0.72 -0.08 0.00 0.00 0.00 178.15 178.74 2ja6 h GLU 1028N -0.79 0.02 0.67 2.37 4.81 -0.83 0.54 114.58 121.37 2ja6 h GLU 1028Ca -0.03 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2ja6 h GLU 1028Cb 0.51 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.89 2ja6 h GLU 1028CO 0.05 0.01 -0.32 0.00 -0.73 0.00 0.00 179.01 178.02 2ja6 h LEU 1030N -1.07 -0.84 -0.93 0.00 5.85 -0.06 0.62 115.31 118.88 2ja6 h LEU 1030Ca -0.09 0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.90 2ja6 h LEU 1030Cb 0.69 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 2ja6 h LEU 1030CO 0.15 -0.27 0.56 0.25 -0.34 0.00 0.00 178.44 178.79 2ja6 h LEU 1031N -0.19 0.82 -0.09 2.25 5.85 -0.50 -2.08 115.31 121.38 2ja6 h LEU 1031Ca 0.19 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.77 2ja6 h LEU 1031Cb 0.48 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.40 2ja6 h LEU 1031CO -0.50 0.45 -0.67 0.28 -0.34 0.00 0.00 178.44 177.66 2ja6 h SER 1032N 0.92 0.75 -0.08 1.25 0.02 0.12 -0.47 113.55 116.06 2ja6 h SER 1032Ca 0.45 -0.67 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 2ja6 h SER 1032Cb 0.42 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 2ja6 h SER 1032CO -0.25 1.30 0.18 0.50 -1.14 0.00 0.00 176.83 177.42 2ja6 h LYS 1033N 0.25 0.00 0.00 3.45 3.64 0.59 0.60 116.57 125.11 2ja6 h LYS 1033Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2ja6 h LYS 1033Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2ja6 h LYS 1033CO 0.14 0.00 0.00 0.28 -2.27 0.00 0.00 179.45 177.60 2ja6 n VAL 1034N -3.31 0.00 0.13 2.00 0.31 -0.82 -3.67 118.33 112.97 2ja6 n VAL 1034Ca -0.01 0.35 0.04 0.00 -0.01 0.00 0.00 64.34 64.72 2ja6 n VAL 1034Cb 0.27 -1.12 0.22 0.00 -0.91 0.00 0.00 33.84 32.29 2ja6 n VAL 1034CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ja6 n ALA 1035N -1.70 0.46 0.08 3.52 0.00 -0.21 0.26 120.51 122.92 2ja6 n ALA 1035Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 2ja6 n ALA 1035Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 2ja6 n ALA 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja6 h ALA 1036N 0.89 0.40 0.09 0.00 0.00 0.08 -1.52 119.26 119.20 2ja6 h ALA 1036Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 54.91 53.83 2ja6 h ALA 1036Cb 0.77 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2ja6 h ALA 1036CO 0.00 0.92 -1.78 -0.07 0.00 0.00 0.00 179.25 178.32 2ja6 h LEU 1037N 0.13 0.30 0.00 0.00 3.38 0.35 -3.36 115.31 116.10 2ja6 h LEU 1037Ca -0.07 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2ja6 h LEU 1037Cb 1.62 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.27 2ja6 h LEU 1037CO 0.15 1.50 -0.45 0.77 0.09 0.00 0.00 178.44 180.50 2ja6 h SER 1038N 0.05 0.00 -0.49 -0.43 4.64 -1.33 -3.47 113.55 112.52 2ja6 h SER 1038Ca -0.33 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 60.73 2ja6 h SER 1038Cb 2.03 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 64.03 2ja6 h SER 1038CO 0.11 0.02 -0.19 0.61 -0.87 0.00 0.00 176.83 176.51 2ja6 n GLY 1039N 1.21 1.15 3.31 -0.77 0.00 -0.58 -4.96 105.19 104.55 2ja6 n GLY 1039Ca 0.03 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 2ja6 n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ja6 s ASN 1040N -2.74 5.53 -0.91 1.61 0.01 -1.21 -5.00 114.94 112.23 2ja6 s ASN 1040Ca 0.00 -1.15 -0.27 0.00 -0.71 0.00 0.00 52.86 50.73 2ja6 s ASN 1040Cb 0.00 -1.95 -0.21 0.00 0.41 0.00 0.00 41.25 39.50 2ja6 s ASN 1040CO 0.00 -0.38 2.57 1.21 -1.51 0.00 0.00 177.10 178.98 2ja6 n GLU 1041N 4.90 0.18 -1.81 -0.60 2.13 -1.26 -4.52 120.64 119.66 2ja6 n GLU 1041Ca -0.12 -0.03 -0.42 0.00 0.66 0.00 0.00 57.16 57.25 2ja6 n GLU 1041Cb 0.45 -1.81 -0.03 0.00 0.27 0.00 0.00 31.44 30.32 2ja6 n GLU 1041CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2ja6 s GLY 1042N 8.25 1.36 -0.24 8.31 0.00 -1.14 -4.94 107.32 118.91 2ja6 s GLY 1042Ca 1.28 1.49 -0.21 0.00 0.00 0.00 0.00 44.72 47.28 2ja6 s GLY 1042CO 0.45 2.80 0.67 -0.35 0.00 0.00 0.00 173.10 176.66 2ja6 s ASP 1043N 1.26 6.64 -0.09 1.64 2.15 -1.26 -2.05 116.67 124.96 2ja6 s ASP 1043Ca 0.73 0.79 0.13 0.00 0.43 0.00 0.00 52.55 54.62 2ja6 s ASP 1043Cb -0.47 -2.36 0.28 0.00 -0.30 0.00 0.00 42.92 40.07 2ja6 s ASP 1043CO 0.32 -0.38 1.20 0.00 -0.17 0.00 0.00 175.17 176.13 2ja6 n ALA 1044N 5.67 2.36 -1.11 3.66 0.00 0.14 -4.86 120.51 126.38 2ja6 n ALA 1044Ca 0.00 -1.92 -0.37 0.00 0.00 0.00 0.00 53.44 51.15 2ja6 n ALA 1044Cb 0.49 -0.38 0.04 0.00 0.00 0.00 0.00 19.45 19.60 2ja6 n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ja6 n SER 1045N -0.68 -4.30 0.00 0.00 7.64 -0.84 -1.88 113.62 113.56 2ja6 n SER 1045Ca 0.13 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2ja6 n SER 1045Cb 0.57 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2ja6 n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2ja6 n PRO 1046N 1.44 0.00 -2.90 1.43 -0.02 -1.26 -4.41 135.00 129.28 2ja6 n PRO 1046Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 2ja6 n PRO 1046Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.95 2ja6 n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2ja6 s PHE 1047N 0.00 2.97 0.00 6.00 0.40 -1.26 -4.79 117.98 121.30 2ja6 s PHE 1047Ca 0.00 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 2ja6 s PHE 1047Cb 0.00 -3.77 0.00 0.00 0.51 0.00 0.00 43.02 39.76 2ja6 s PHE 1047CO 0.00 -1.01 0.00 0.25 0.70 0.00 0.00 175.22 175.16 2ja6 n THR 1048N 6.22 0.00 -1.28 0.64 -2.24 -1.26 -4.95 114.28 111.41 2ja6 n THR 1048Ca 0.04 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.51 2ja6 n THR 1048Cb 0.48 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.83 2ja6 n THR 1048CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ja6 n ASP 1049N -1.97 6.31 -4.97 3.42 8.00 -1.26 -4.98 116.55 121.10 2ja6 n ASP 1049Ca 0.00 -3.72 -0.21 0.00 0.71 0.00 0.00 54.79 51.57 2ja6 n ASP 1049Cb 0.00 -0.93 -0.02 0.00 -0.02 0.00 0.00 41.12 40.15 2ja6 n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ja6 s ILE 1050N -4.26 5.26 0.26 0.53 1.01 -1.26 -5.06 121.20 117.69 2ja6 s ILE 1050Ca 0.62 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 2ja6 s ILE 1050Cb 0.50 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 2ja6 s ILE 1050CO 0.03 -0.32 0.42 0.42 0.00 0.00 0.00 174.94 175.49 2ja6 s THR 1051N -1.97 0.00 0.01 2.92 -4.23 -1.26 -4.94 115.64 106.16 2ja6 s THR 1051Ca 0.34 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 59.14 2ja6 s THR 1051Cb -0.09 -2.36 -0.34 0.00 1.34 0.00 0.00 72.50 71.04 2ja6 s THR 1051CO 0.29 0.00 0.92 0.58 -0.54 0.00 0.00 174.62 175.87 2ja6 h VAL 1052N 2.28 1.24 -0.72 2.29 2.07 -1.99 -1.92 116.25 119.51 2ja6 h VAL 1052Ca -0.28 -2.64 -0.02 0.00 0.82 0.00 0.00 66.70 64.58 2ja6 h VAL 1052Cb 1.25 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.99 2ja6 h VAL 1052CO 0.39 0.81 0.39 -0.33 0.02 0.00 0.00 177.57 178.84 2ja6 h GLU 1053N 0.08 1.00 -0.40 1.57 4.39 -1.96 0.13 114.58 119.39 2ja6 h GLU 1053Ca -0.26 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.17 2ja6 h GLU 1053Cb 2.10 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.54 2ja6 h GLU 1053CO 0.24 0.74 -0.36 0.78 -1.16 0.00 0.00 179.01 179.25 2ja6 h GLY 1054N 1.05 1.02 0.60 -3.84 0.00 -1.95 -2.98 103.07 96.97 2ja6 h GLY 1054Ca 0.25 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 2ja6 h GLY 1054CO -0.04 0.92 -0.06 -2.22 0.00 0.00 0.00 176.54 175.14 2ja6 h ILE 1055N 0.77 1.38 -0.74 2.60 2.04 -0.85 -3.15 117.51 119.57 2ja6 h ILE 1055Ca 0.07 -1.24 0.15 0.00 1.00 0.00 0.00 64.86 64.84 2ja6 h ILE 1055Cb 0.95 2.08 -0.14 0.00 -0.74 0.00 0.00 36.82 38.97 2ja6 h ILE 1055CO 0.09 0.34 -0.16 0.28 0.00 0.00 0.00 178.15 178.70 2ja6 h SER 1056N -0.31 -0.65 -0.95 1.72 0.02 -0.78 0.50 113.55 113.09 2ja6 h SER 1056Ca 0.01 0.22 0.10 0.00 -0.84 0.00 0.00 61.79 61.27 2ja6 h SER 1056Cb 0.58 0.45 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 2ja6 h SER 1056CO 0.02 -0.24 0.59 0.11 -1.14 0.00 0.00 176.83 176.17 2ja6 h LYS 1057N 0.01 0.96 -0.58 3.45 1.57 -1.54 0.16 116.57 120.60 2ja6 h LYS 1057Ca 0.36 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 59.01 2ja6 h LYS 1057Cb 0.56 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2ja6 h LYS 1057CO -0.75 0.64 0.07 -0.07 -0.57 0.00 0.00 179.45 178.77 2ja6 h LEU 1058N 0.99 0.93 -0.94 2.94 3.38 -0.06 -2.08 115.31 120.47 2ja6 h LEU 1058Ca 0.45 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 2ja6 h LEU 1058Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2ja6 h LEU 1058CO -0.23 0.97 -0.43 0.25 0.09 0.00 0.00 178.44 179.09 2ja6 h LEU 1059N 0.86 0.21 -0.27 1.67 5.85 -0.04 -2.97 115.31 120.62 2ja6 h LEU 1059Ca 0.17 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2ja6 h LEU 1059Cb 0.45 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2ja6 h LEU 1059CO 0.02 0.62 0.17 -0.09 -0.34 0.00 0.00 178.44 178.82 2ja6 h ARG 1060N 0.17 0.36 0.00 1.25 9.65 -0.20 -0.89 114.38 124.71 2ja6 h ARG 1060Ca 0.01 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2ja6 h ARG 1060Cb 0.84 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 2ja6 h ARG 1060CO 0.07 0.25 0.00 0.39 2.80 0.00 0.00 179.97 183.48 2ja6 n GLU 1061N -4.89 0.00 0.00 0.20 1.02 -0.83 -0.03 120.64 116.12 2ja6 n GLU 1061Ca -0.02 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.15 2ja6 n GLU 1061Cb 0.03 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 2ja6 n GLU 1061CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ja6 n HIS 1062N -0.89 0.00 0.00 -0.32 8.25 -0.35 -5.04 115.22 116.88 2ja6 n HIS 1062Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2ja6 n HIS 1062Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2ja6 n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ja6 n GLY 1063N 1.05 3.09 3.82 -1.41 0.00 0.96 -5.06 105.19 107.64 2ja6 n GLY 1063Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2ja6 n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ja6 s TYR 1064N -2.99 3.23 0.50 1.61 1.51 -1.25 -4.97 117.35 115.00 2ja6 s TYR 1064Ca 0.00 1.59 -0.14 0.00 -1.01 0.00 0.00 57.07 57.51 2ja6 s TYR 1064Cb 0.00 -2.91 -0.12 0.00 -0.11 0.00 0.00 41.96 38.83 2ja6 s TYR 1064CO 0.00 -0.36 -0.26 0.94 -1.11 0.00 0.00 175.55 174.77 2ja6 n GLN 1065N -0.85 0.00 0.00 -0.62 -0.06 -1.26 -4.26 117.38 110.33 2ja6 n GLN 1065Ca 0.08 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 55.21 2ja6 n GLN 1065Cb 0.54 -0.77 0.56 0.00 -4.06 0.00 0.00 30.24 26.50 2ja6 n GLN 1065CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2ja6 n SER 1066N 2.16 0.15 -0.15 1.69 3.41 -1.26 -3.74 113.62 115.89 2ja6 n SER 1066Ca 0.04 0.16 0.07 0.00 -0.26 0.00 0.00 58.87 58.88 2ja6 n SER 1066Cb 0.38 -0.28 0.12 0.00 -0.26 0.00 0.00 64.21 64.17 2ja6 n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ja6 n ARG 1067N -1.42 1.92 0.00 4.33 5.12 -1.26 -4.30 116.66 121.04 2ja6 n ARG 1067Ca 0.08 -2.32 0.00 0.00 -1.93 0.00 0.00 57.85 53.68 2ja6 n ARG 1067Cb 0.32 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 2ja6 n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ja6 n GLY 1068N -1.05 2.68 2.41 -0.13 0.00 -1.25 -5.01 105.19 102.84 2ja6 n GLY 1068Ca 0.12 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 2ja6 n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ja6 n PHE 1069N 0.00 -1.50 -3.53 1.61 3.01 -1.25 -4.19 117.46 111.60 2ja6 n PHE 1069Ca 0.00 0.46 -0.11 0.00 1.01 0.00 0.00 57.45 58.81 2ja6 n PHE 1069Cb 0.00 -1.11 -0.04 0.00 -0.01 0.00 0.00 39.48 38.32 2ja6 n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2ja6 s GLU 1070N -1.60 0.78 0.27 -1.08 2.02 -0.91 -4.28 118.70 113.90 2ja6 s GLU 1070Ca 0.29 -0.03 -0.17 0.00 0.02 0.00 0.00 54.97 55.09 2ja6 s GLU 1070Cb 0.05 0.36 -0.09 0.00 0.10 0.00 0.00 34.13 34.56 2ja6 s GLU 1070CO 0.55 -0.29 0.72 0.08 0.02 0.00 0.00 175.26 176.34 2ja6 s VAL 1071N -1.99 4.65 0.07 2.63 1.01 -1.26 -2.86 120.40 122.66 2ja6 s VAL 1071Ca -0.01 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.05 2ja6 s VAL 1071Cb -0.01 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2ja6 s VAL 1071CO -0.02 -0.00 -0.08 -0.04 0.00 0.00 0.00 175.10 174.96 2ja6 s MET 1072N -2.52 0.69 -0.02 2.72 -1.94 -1.26 -4.28 119.30 112.68 2ja6 s MET 1072Ca 0.49 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 2ja6 s MET 1072Cb -0.13 -0.28 -0.03 0.00 2.01 0.00 0.00 34.83 36.40 2ja6 s MET 1072CO 0.19 0.03 -0.07 0.71 -0.01 0.00 0.00 175.02 175.86 2ja6 s TYR 1073N -2.43 2.89 -0.19 -0.03 1.51 0.30 0.43 117.35 119.83 2ja6 s TYR 1073Ca 0.01 -0.02 -0.29 0.00 -1.01 0.00 0.00 57.07 55.75 2ja6 s TYR 1073Cb -0.03 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 2ja6 s TYR 1073CO -0.02 0.35 1.60 1.21 -1.11 0.00 0.00 175.55 177.58 2ja6 s ASN 1074N -1.18 6.45 0.47 2.29 3.84 0.19 -1.59 114.94 125.42 2ja6 s ASN 1074Ca 0.15 1.71 0.25 0.00 0.21 0.00 0.00 52.86 55.18 2ja6 s ASN 1074Cb -0.11 -2.53 1.29 0.00 -0.55 0.00 0.00 41.25 39.34 2ja6 s ASN 1074CO 0.05 -1.18 1.84 1.23 -2.79 0.00 0.00 177.10 176.24 2ja6 h GLY 1075N 11.38 0.56 0.49 1.21 0.00 -1.74 1.12 103.07 116.09 2ja6 h GLY 1075Ca -0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2ja6 h GLY 1075CO 0.99 -0.04 -0.01 0.45 0.00 0.00 0.00 176.54 177.94 2ja6 h HIS 1076N 0.21 -0.01 0.01 5.60 3.86 -1.79 -3.39 115.15 119.64 2ja6 h HIS 1076Ca 0.50 -0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 59.33 2ja6 h HIS 1076Cb 1.60 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 30.01 2ja6 h HIS 1076CO -0.00 0.49 -2.43 0.25 0.86 0.00 0.00 177.93 177.09 2ja6 n THR 1077N -4.86 1.52 0.00 2.45 -2.24 -1.03 -5.00 114.28 105.13 2ja6 n THR 1077Ca -0.09 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2ja6 n THR 1077Cb 0.26 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 2ja6 n THR 1077CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ja6 n GLY 1078N 2.22 0.76 3.73 3.38 0.00 0.38 -5.02 105.19 110.64 2ja6 n GLY 1078Ca -0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 2ja6 n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ja6 s LYS 1079N -0.83 0.94 0.65 1.61 2.20 -1.25 -4.57 119.74 118.49 2ja6 s LYS 1079Ca 0.00 0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 56.04 2ja6 s LYS 1079Cb 0.00 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 2ja6 s LYS 1079CO 0.00 -2.39 1.02 0.15 -0.36 0.00 0.00 175.35 173.77 2ja6 s LYS 1080N -5.06 3.02 -0.44 4.03 1.02 -1.26 0.55 119.74 121.59 2ja6 s LYS 1080Ca 0.64 0.36 -0.15 0.00 0.02 0.00 0.00 55.97 56.84 2ja6 s LYS 1080Cb -0.17 -2.12 0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2ja6 s LYS 1080CO 0.56 -0.83 0.36 -0.51 -0.92 0.00 0.00 175.35 174.00 2ja6 s LEU 1081N -5.20 5.31 0.12 3.17 1.43 0.17 -4.60 118.68 119.08 2ja6 s LEU 1081Ca 0.56 -1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2ja6 s LEU 1081Cb -0.11 -2.19 0.20 0.00 0.03 0.00 0.00 46.19 44.12 2ja6 s LEU 1081CO 0.50 -0.56 0.70 0.80 0.23 0.00 0.00 176.35 178.02 2ja6 n MET 1082N 5.24 -0.04 -3.82 1.70 0.00 -1.26 -4.13 117.12 114.80 2ja6 n MET 1082Ca -0.11 0.70 -0.20 0.00 -0.00 0.00 0.00 57.70 58.08 2ja6 n MET 1082Cb 0.46 -1.04 -0.02 0.00 0.00 0.00 0.00 33.22 32.61 2ja6 n MET 1082CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ja6 s ALA 1083N -5.56 3.99 0.05 -5.12 0.00 -1.26 -5.11 121.76 108.75 2ja6 s ALA 1083Ca -0.07 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.58 2ja6 s ALA 1083Cb 0.12 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2ja6 s ALA 1083CO 0.35 0.15 0.06 -0.65 0.00 0.00 0.00 175.76 175.67 2ja6 s GLN 1084N -4.03 2.89 0.17 0.00 1.11 -1.26 -4.70 119.66 113.85 2ja6 s GLN 1084Ca 0.38 -0.64 0.03 0.00 0.01 0.00 0.00 55.36 55.13 2ja6 s GLN 1084Cb -0.09 -2.74 -0.03 0.00 -1.01 0.00 0.00 33.01 29.14 2ja6 s GLN 1084CO 0.29 0.59 0.31 0.42 0.01 0.00 0.00 175.29 176.91 2ja6 s ILE 1085N -1.30 5.30 -1.23 1.08 1.09 -1.13 -4.87 121.20 120.14 2ja6 s ILE 1085Ca 0.26 -0.72 -0.09 0.00 -1.10 0.00 0.00 60.65 58.99 2ja6 s ILE 1085Cb -0.12 -3.77 0.19 0.00 -1.06 0.00 0.00 42.46 37.71 2ja6 s ILE 1085CO 0.18 -0.15 1.71 0.33 -0.10 0.00 0.00 174.94 176.91 2ja6 n PHE 1086N -0.74 3.32 -2.83 3.97 7.35 -1.25 -2.15 117.46 125.14 2ja6 n PHE 1086Ca -0.07 -2.91 -0.38 0.00 -0.76 0.00 0.00 57.45 53.32 2ja6 n PHE 1086Cb 0.55 -1.89 -0.06 0.00 0.35 0.00 0.00 39.48 38.43 2ja6 n PHE 1086CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 2ja6 s PHE 1087N 0.09 3.81 0.00 -5.13 5.99 -1.26 -3.45 117.98 118.02 2ja6 s PHE 1087Ca 0.39 1.77 0.00 0.00 0.00 0.00 0.00 56.93 59.08 2ja6 s PHE 1087Cb 0.06 -2.89 0.00 0.00 0.00 0.00 0.00 43.02 40.19 2ja6 s PHE 1087CO 0.02 0.34 0.00 0.41 -0.00 0.00 0.00 175.22 175.98 2ja6 n GLY 1088N 0.98 3.43 3.72 13.12 0.00 -1.19 -4.66 105.19 120.60 2ja6 n GLY 1088Ca -0.01 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 2ja6 n GLY 1088CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ja6 s PRO 1089N -2.12 2.06 -0.25 1.61 0.04 -1.26 -2.01 135.00 133.07 2ja6 s PRO 1089Ca 0.00 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 2ja6 s PRO 1089Cb 0.00 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.78 2ja6 s PRO 1089CO 0.00 -1.89 0.70 0.99 0.04 0.00 0.00 177.00 176.85 2ja6 s THR 1090N -2.05 0.00 0.11 1.26 2.01 -1.01 -4.02 115.64 111.94 2ja6 s THR 1090Ca 0.73 -0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 2ja6 s THR 1090Cb -0.28 -0.98 -0.06 0.00 0.01 0.00 0.00 72.50 71.18 2ja6 s THR 1090CO 0.46 -0.00 1.00 -0.47 -0.69 0.00 0.00 174.62 174.92 2ja6 s TYR 1091N 0.24 3.74 -0.03 4.92 5.04 -1.26 0.13 117.35 130.12 2ja6 s TYR 1091Ca -0.01 1.73 0.02 0.00 -2.44 0.00 0.00 57.07 56.38 2ja6 s TYR 1091Cb -0.05 -3.12 0.01 0.00 0.35 0.00 0.00 41.96 39.15 2ja6 s TYR 1091CO 0.02 -0.04 -0.09 0.71 -1.34 0.00 0.00 175.55 174.81 2ja6 s TYR 1092N 0.08 1.02 0.18 4.97 1.51 -0.60 -4.43 117.35 120.08 2ja6 s TYR 1092Ca 0.48 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 56.25 2ja6 s TYR 1092Cb -0.25 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 2ja6 s TYR 1092CO 0.31 -0.14 0.38 -0.65 -1.11 0.00 0.00 175.55 174.34 2ja6 s GLN 1093N 0.33 3.53 -0.60 -0.62 -0.21 0.11 -1.77 119.66 120.44 2ja6 s GLN 1093Ca -0.06 -0.30 -0.04 0.00 0.02 0.00 0.00 55.36 54.98 2ja6 s GLN 1093Cb -0.10 -2.85 0.15 0.00 1.00 0.00 0.00 33.01 31.21 2ja6 s GLN 1093CO 0.01 0.42 0.42 0.50 -2.12 0.00 0.00 175.29 174.52 2ja6 s ARG 1094N -3.17 2.54 0.54 2.91 3.52 -1.26 -2.27 118.95 121.76 2ja6 s ARG 1094Ca 0.39 -2.38 -0.19 0.00 -0.13 0.00 0.00 55.73 53.42 2ja6 s ARG 1094Cb -0.11 -3.76 -0.06 0.00 -1.56 0.00 0.00 34.95 29.45 2ja6 s ARG 1094CO 0.28 -1.17 1.07 -0.48 -0.81 0.00 0.00 175.30 174.19 2ja6 s LEU 1095N 0.20 3.70 0.00 -0.88 0.05 -1.26 -1.64 118.68 118.85 2ja6 s LEU 1095Ca 0.15 1.96 0.00 0.00 0.05 0.00 0.00 54.13 56.29 2ja6 s LEU 1095Cb -0.20 -4.56 0.00 0.00 -2.05 0.00 0.00 46.19 39.38 2ja6 s LEU 1095CO -0.04 -1.04 0.00 -2.11 -0.55 0.00 0.00 176.35 172.62 2ja6 n ARG 1096N -1.42 1.12 -1.89 1.48 1.85 0.21 -4.63 116.66 113.38 2ja6 n ARG 1096Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.92 2ja6 n ARG 1096Cb 0.52 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.94 2ja6 n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2ja6 n HIS 1097N -0.80 -0.61 -3.43 2.89 8.25 -1.26 -4.67 115.22 115.59 2ja6 n HIS 1097Ca 0.00 0.22 -0.29 0.00 -0.26 0.00 0.00 57.72 57.39 2ja6 n HIS 1097Cb 0.00 -2.61 -0.03 0.00 1.12 0.00 0.00 29.99 28.46 2ja6 n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ja6 s MET 1098N -3.21 3.63 0.09 -0.41 -1.94 -1.26 -3.79 119.30 112.41 2ja6 s MET 1098Ca 0.07 -0.03 -0.35 0.00 -1.71 0.00 0.00 55.69 53.67 2ja6 s MET 1098Cb -0.01 -2.69 -0.16 0.00 2.01 0.00 0.00 34.83 33.98 2ja6 s MET 1098CO 0.17 0.27 1.57 -0.24 -0.01 0.00 0.00 175.02 176.79 2ja6 h VAL 1099N 1.50 0.05 0.00 -6.03 3.04 -1.92 -2.07 116.25 110.81 2ja6 h VAL 1099Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2ja6 h VAL 1099Cb 1.19 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2ja6 h VAL 1099CO 0.67 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.70 2ja6 n ASP 1100N -5.54 0.00 -0.01 3.17 9.92 -1.26 0.18 116.55 123.00 2ja6 n ASP 1100Ca -0.11 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.22 2ja6 n ASP 1100Cb 0.45 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.84 2ja6 n ASP 1100CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ja6 n ASP 1101N -0.71 0.79 -0.03 -2.24 8.00 -0.78 -4.63 116.55 116.95 2ja6 n ASP 1101Ca 0.00 -0.89 -0.05 0.00 0.71 0.00 0.00 54.79 54.56 2ja6 n ASP 1101Cb 0.00 0.98 -0.03 0.00 -0.02 0.00 0.00 41.12 42.05 2ja6 n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ja6 n LYS 1102N -1.34 0.51 -1.18 -1.24 5.02 0.48 -5.02 118.16 115.39 2ja6 n LYS 1102Ca 0.03 0.04 -0.46 0.00 -2.02 0.00 0.00 58.31 55.90 2ja6 n LYS 1102Cb 0.25 -1.14 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 2ja6 n LYS 1102CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2ja6 n ILE 1103N -2.65 0.13 -3.64 -0.18 -0.00 -0.88 -4.93 119.36 107.22 2ja6 n ILE 1103Ca -0.12 -0.03 -0.04 0.00 -0.00 0.00 0.00 62.75 62.55 2ja6 n ILE 1103Cb 0.64 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.22 2ja6 n ILE 1103CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 2ja6 s HIS 1104N -0.07 -1.13 0.04 1.39 5.65 -1.26 -5.03 115.29 114.88 2ja6 s HIS 1104Ca 0.70 2.13 0.04 0.00 0.25 0.00 0.00 55.06 58.18 2ja6 s HIS 1104Cb -0.98 0.68 -0.02 0.00 -1.18 0.00 0.00 32.58 31.08 2ja6 s HIS 1104CO 0.45 -0.56 -0.12 0.00 -0.65 0.00 0.00 174.74 173.85 2ja6 s ALA 1105N 2.11 1.02 -0.13 1.58 0.00 -1.26 -5.05 121.76 120.02 2ja6 s ALA 1105Ca -0.08 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 2ja6 s ALA 1105Cb -0.08 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.96 2ja6 s ALA 1105CO -0.19 0.16 0.35 0.50 0.00 0.00 0.00 175.76 176.58 2ja6 s ARG 1106N -1.26 0.42 -0.31 0.00 3.52 -1.26 -5.00 118.95 115.05 2ja6 s ARG 1106Ca -0.01 0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 56.06 2ja6 s ARG 1106Cb -0.08 0.20 0.13 0.00 -1.56 0.00 0.00 34.95 33.64 2ja6 s ARG 1106CO 0.01 -0.05 0.25 0.00 -0.81 0.00 0.00 175.30 174.70 2ja6 s ALA 1107N 0.16 0.03 0.42 6.12 0.00 -1.26 -4.96 121.76 122.27 2ja6 s ALA 1107Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2ja6 s ALA 1107Cb -0.03 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.40 2ja6 s ALA 1107CO 0.01 -1.81 0.00 2.89 0.00 0.00 0.00 175.76 176.85 2ja6 n ARG 1108N 4.97 -2.45 0.00 0.00 1.85 -1.26 -5.06 116.66 114.72 2ja6 n ARG 1108Ca 0.01 1.92 0.00 0.00 -1.00 0.00 0.00 57.85 58.78 2ja6 n ARG 1108Cb 0.44 -3.02 0.00 0.00 -1.05 0.00 0.00 32.46 28.83 2ja6 n ARG 1108CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ja6 n GLY 1109N -3.88 0.33 3.67 2.89 0.00 -1.26 -5.08 105.19 101.85 2ja6 n GLY 1109Ca -0.05 -1.15 -0.62 0.00 0.00 0.00 0.00 46.02 44.20 2ja6 n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ja6 n PRO 1110N 0.00 0.33 -4.80 1.61 -0.04 -1.26 -4.94 135.00 125.90 2ja6 n PRO 1110Ca 0.00 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 2ja6 n PRO 1110Cb 0.00 -1.67 -0.16 0.00 -0.04 0.00 0.00 33.50 31.63 2ja6 n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2ja6 s MET 1111N 2.15 3.19 1.13 0.54 -1.94 -1.26 -2.65 119.30 120.46 2ja6 s MET 1111Ca 0.98 -0.78 -0.18 0.00 -1.71 0.00 0.00 55.69 54.00 2ja6 s MET 1111Cb -1.31 -2.51 0.15 0.00 2.01 0.00 0.00 34.83 33.16 2ja6 s MET 1111CO 0.70 0.11 0.16 0.94 -0.01 0.00 0.00 175.02 176.91 2ja6 n GLN 1112N 3.78 -2.03 -0.05 2.03 7.27 -0.18 -4.87 117.38 123.33 2ja6 n GLN 1112Ca -0.19 -0.58 -0.05 0.00 0.07 0.00 0.00 57.00 56.24 2ja6 n GLN 1112Cb 0.52 -1.69 -0.07 0.00 2.41 0.00 0.00 30.24 31.41 2ja6 n GLN 1112CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2ja6 n VAL 1113N -4.57 0.68 -0.04 1.69 0.31 -1.26 -3.63 118.33 111.52 2ja6 n VAL 1113Ca 0.02 -0.40 -0.15 0.00 -0.01 0.00 0.00 64.34 63.81 2ja6 n VAL 1113Cb 0.57 -0.77 -0.12 0.00 -0.91 0.00 0.00 33.84 32.61 2ja6 n VAL 1113CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2ja6 h LEU 1114N 0.00 0.11 0.10 7.52 5.85 -1.98 -3.39 115.31 123.52 2ja6 h LEU 1114Ca -0.27 -0.86 -0.20 0.00 0.84 0.00 0.00 57.88 57.39 2ja6 h LEU 1114Cb 1.58 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.58 2ja6 h LEU 1114CO 0.01 0.96 -0.99 0.74 -0.34 0.00 0.00 178.44 178.81 2ja6 h THR 1115N -0.72 1.30 0.00 1.05 2.02 -1.99 -3.48 112.91 111.09 2ja6 h THR 1115Ca -0.02 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.73 2ja6 h THR 1115Cb 0.99 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 70.34 2ja6 h THR 1115CO 0.03 0.66 0.00 0.54 0.37 0.00 0.00 175.52 177.12 2ja6 n ARG 1116N -4.13 0.00 -2.81 6.66 1.74 -1.24 -4.30 116.66 112.58 2ja6 n ARG 1116Ca -0.19 0.30 -0.20 0.00 -0.77 0.00 0.00 57.85 56.99 2ja6 n ARG 1116Cb 0.80 -3.18 0.04 0.00 -1.02 0.00 0.00 32.46 29.09 2ja6 n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2ja6 s GLN 1117N -1.26 2.53 0.47 5.56 -0.21 -1.26 -4.53 119.66 120.97 2ja6 s GLN 1117Ca 0.00 -1.08 -0.23 0.00 0.02 0.00 0.00 55.36 54.07 2ja6 s GLN 1117Cb 0.00 -2.59 -0.07 0.00 1.00 0.00 0.00 33.01 31.35 2ja6 s GLN 1117CO 0.00 -0.64 1.28 -2.14 -2.12 0.00 0.00 175.29 171.66 2ja6 s PRO 1118N -4.64 3.60 0.81 2.91 0.02 -1.26 -1.01 135.00 135.43 2ja6 s PRO 1118Ca 0.58 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 63.54 2ja6 s PRO 1118Cb -0.09 -2.46 0.08 0.00 0.02 0.00 0.00 34.50 32.05 2ja6 s PRO 1118CO 0.37 -0.76 1.11 0.14 -0.33 0.00 0.00 177.00 177.52 2ja6 s VAL 1119N -1.38 2.89 -0.12 3.83 -7.23 -1.09 -4.68 120.40 112.63 2ja6 s VAL 1119Ca 0.64 0.29 -0.03 0.00 -1.81 0.00 0.00 61.98 61.07 2ja6 s VAL 1119Cb -0.36 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.50 2ja6 s VAL 1119CO 0.44 -0.38 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.14 2ja6 s GLU 1120N -5.20 3.29 0.00 4.82 2.12 -1.26 -1.89 118.70 120.58 2ja6 s GLU 1120Ca 0.61 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.50 2ja6 s GLU 1120Cb -0.14 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.38 2ja6 s GLU 1120CO 0.54 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 176.19 2ja6 n GLY 1121N 2.71 2.47 0.45 -1.50 0.00 -1.26 -4.69 105.19 103.37 2ja6 n GLY 1121Ca -0.18 -0.82 0.25 0.00 0.00 0.00 0.00 46.02 45.26 2ja6 n GLY 1121CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ja6 h ARG 1122N 0.00 0.00 0.11 1.61 0.11 -1.91 0.74 114.38 115.05 2ja6 h ARG 1122Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2ja6 h ARG 1122Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2ja6 h ARG 1122CO 0.00 0.00 -0.11 0.66 0.10 0.00 0.00 179.97 180.62 2ja6 h SER 1123N 0.00 -0.29 -0.21 0.08 4.64 -1.95 -2.26 113.55 113.56 2ja6 h SER 1123Ca 0.33 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2ja6 h SER 1123Cb 1.78 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 2ja6 h SER 1123CO -0.00 -0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.33 2ja6 n ARG 1124N -5.23 2.20 -1.81 4.77 1.74 0.25 -4.84 116.66 113.74 2ja6 n ARG 1124Ca -0.07 -1.06 -0.14 0.00 -0.77 0.00 0.00 57.85 55.81 2ja6 n ARG 1124Cb 0.15 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 2ja6 n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2ja6 n ASP 1125N 0.23 -4.44 -3.10 0.55 -0.08 -0.85 -4.72 116.55 104.13 2ja6 n ASP 1125Ca 0.09 0.17 -0.12 0.00 -1.51 0.00 0.00 54.79 53.43 2ja6 n ASP 1125Cb 0.50 -3.37 0.11 0.00 2.34 0.00 0.00 41.12 40.71 2ja6 n ASP 1125CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ja6 n GLY 1126N -1.17 -3.59 3.72 0.27 0.00 -0.55 -4.64 105.19 99.24 2ja6 n GLY 1126Ca -0.15 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 2ja6 n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ja6 s GLY 1127N -2.32 2.50 0.57 -0.02 0.00 -0.79 -4.62 107.32 102.64 2ja6 s GLY 1127Ca 0.26 -1.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.09 2ja6 s GLY 1127CO 0.22 -2.02 0.78 1.04 0.00 0.00 0.00 173.10 173.11 2ja6 n LEU 1128N -1.19 0.00 -4.32 0.66 4.77 -1.26 -4.60 117.00 111.06 2ja6 n LEU 1128Ca -0.05 -1.29 -0.32 0.00 -0.03 0.00 0.00 56.01 54.32 2ja6 n LEU 1128Cb 0.66 -0.54 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 2ja6 n LEU 1128CO 0.45 -0.96 -0.55 -0.60 -1.33 0.00 0.00 177.39 174.41 2ja6 s ARG 1129N -4.54 2.42 -0.90 3.23 3.52 -1.26 -5.02 118.95 116.40 2ja6 s ARG 1129Ca 0.48 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 2ja6 s ARG 1129Cb -0.02 -2.17 0.32 0.00 -1.56 0.00 0.00 34.95 31.53 2ja6 s ARG 1129CO 0.33 0.47 1.55 0.34 -0.81 0.00 0.00 175.30 177.18 2ja6 n PHE 1130N 2.70 3.13 -0.32 5.12 7.35 -1.26 -5.04 117.46 129.15 2ja6 n PHE 1130Ca -0.17 -3.00 -0.28 0.00 -0.76 0.00 0.00 57.45 53.24 2ja6 n PHE 1130Cb 0.52 -0.99 0.27 0.00 0.35 0.00 0.00 39.48 39.62 2ja6 n PHE 1130CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ja6 n GLY 1131N -0.05 -3.41 0.34 7.13 0.00 -1.26 -4.58 105.19 103.36 2ja6 n GLY 1131Ca 0.41 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 2ja6 n GLY 1131CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ja6 h GLU 1132N -3.34 -0.05 -0.63 1.61 5.08 -2.00 -2.17 114.58 113.06 2ja6 h GLU 1132Ca -0.41 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.07 2ja6 h GLU 1132Cb 1.25 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.39 2ja6 h GLU 1132CO 0.27 -0.04 -0.28 0.52 -1.00 0.00 0.00 179.01 178.48 2ja6 h MET 1133N -0.06 -0.10 -0.95 2.33 2.86 -1.99 0.44 114.93 117.46 2ja6 h MET 1133Ca 0.11 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.94 2ja6 h MET 1133Cb 0.35 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.95 2ja6 h MET 1133CO -0.70 -0.07 0.61 0.93 1.06 0.00 0.00 176.91 178.74 2ja6 h GLU 1134N -0.11 0.62 0.52 1.72 3.07 -1.71 -1.38 114.58 117.32 2ja6 h GLU 1134Ca 0.27 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 2ja6 h GLU 1134Cb 0.54 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2ja6 h GLU 1134CO -0.70 0.41 -0.25 -0.09 -1.40 0.00 0.00 179.01 176.98 2ja6 h ARG 1135N 0.64 -0.68 -1.39 2.33 2.43 0.25 -2.82 114.38 115.14 2ja6 h ARG 1135Ca 0.51 0.05 0.48 0.00 -0.81 0.00 0.00 59.98 60.20 2ja6 h ARG 1135Cb 0.94 0.15 -0.13 0.00 -0.42 0.00 0.00 29.97 30.52 2ja6 h ARG 1135CO -0.27 -0.45 0.90 -0.25 -1.51 0.00 0.00 179.97 178.39 2ja6 n ASP 1136N -4.34 0.19 -0.02 -3.80 9.92 -0.53 0.83 116.55 118.80 2ja6 n ASP 1136Ca -0.09 1.34 -0.13 0.00 -0.53 0.00 0.00 54.79 55.38 2ja6 n ASP 1136Cb 0.28 -0.66 -0.09 0.00 -0.64 0.00 0.00 41.12 40.01 2ja6 n ASP 1136CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ja6 h MET 1138N -0.40 0.82 -0.94 0.00 2.86 0.67 0.21 114.93 118.16 2ja6 h MET 1138Ca 0.00 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.69 2ja6 h MET 1138Cb 0.48 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 31.89 2ja6 h MET 1138CO 0.00 0.54 0.60 0.82 1.06 0.00 0.00 176.91 179.94 2ja6 h ILE 1139N 0.84 0.98 0.02 -1.22 2.04 -0.78 0.44 117.51 119.83 2ja6 h ILE 1139Ca 0.29 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2ja6 h ILE 1139Cb 0.05 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 2ja6 h ILE 1139CO -0.12 0.18 -0.01 0.00 0.00 0.00 0.00 178.15 178.19 2ja6 h ALA 1140N 1.53 -0.03 -0.11 1.87 0.00 0.46 -2.58 119.26 120.41 2ja6 h ALA 1140Ca 0.44 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2ja6 h ALA 1140Cb 0.39 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ja6 h ALA 1140CO -0.20 -0.38 0.11 0.45 0.00 0.00 0.00 179.25 179.23 2ja6 h HIS 1141N -0.30 0.00 0.00 0.00 3.86 0.70 -3.45 115.15 115.96 2ja6 h HIS 1141Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ja6 h HIS 1141Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2ja6 h HIS 1141CO 0.02 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.22 2ja6 n GLY 1142N -1.41 0.64 2.88 2.45 0.00 0.14 -4.89 105.19 104.99 2ja6 n GLY 1142Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2ja6 n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ja6 n ALA 1143N 0.44 3.61 -0.02 4.61 0.00 -0.70 -4.73 120.51 123.72 2ja6 n ALA 1143Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.12 2ja6 n ALA 1143Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.23 2ja6 n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja6 n ALA 1144N 5.75 -0.20 -0.16 0.00 0.00 -1.26 -1.86 120.51 122.78 2ja6 n ALA 1144Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.83 2ja6 n ALA 1144Cb 0.23 0.30 0.03 0.00 0.00 0.00 0.00 19.45 20.01 2ja6 n ALA 1144CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2ja6 h SER 1145N 0.00 -0.54 -0.37 0.00 0.02 -2.00 -1.69 113.55 108.97 2ja6 h SER 1145Ca 0.00 0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.18 2ja6 h SER 1145Cb 0.00 0.34 -0.09 0.00 0.14 0.00 0.00 62.40 62.79 2ja6 h SER 1145CO 0.00 -0.19 -0.32 0.15 -1.14 0.00 0.00 176.83 175.33 2ja6 h PHE 1146N -0.03 -0.88 -0.35 3.45 3.57 -1.93 0.18 116.94 120.96 2ja6 h PHE 1146Ca 0.24 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.85 2ja6 h PHE 1146Cb 0.40 0.44 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 2ja6 h PHE 1146CO -0.44 -0.38 -0.52 1.25 -2.23 0.00 0.00 178.31 175.99 2ja6 h LEU 1147N -0.26 -1.71 -0.67 0.59 6.46 -0.57 0.14 115.31 119.29 2ja6 h LEU 1147Ca 0.17 0.23 0.13 0.00 -0.12 0.00 0.00 57.88 58.28 2ja6 h LEU 1147Cb 0.53 0.70 -0.09 0.00 -0.73 0.00 0.00 40.66 41.07 2ja6 h LEU 1147CO -0.52 -0.41 0.19 0.50 -0.62 0.00 0.00 178.44 177.58 2ja6 h LYS 1148N -0.42 0.31 -0.94 1.25 3.64 -0.71 -0.97 116.57 118.73 2ja6 h LYS 1148Ca 0.08 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2ja6 h LYS 1148Cb 0.61 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 2ja6 h LYS 1148CO -0.56 0.21 0.59 1.49 -2.27 0.00 0.00 179.45 178.91 2ja6 h GLU 1149N 0.32 1.01 -0.10 1.90 4.81 0.18 0.81 114.58 123.51 2ja6 h GLU 1149Ca 0.36 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2ja6 h GLU 1149Cb 0.55 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2ja6 h GLU 1149CO -0.42 0.67 0.03 0.00 -0.73 0.00 0.00 179.01 178.55 2ja6 h ARG 1150N 1.04 0.17 -0.45 1.92 2.47 0.16 -1.78 114.38 117.91 2ja6 h ARG 1150Ca 0.42 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 59.03 2ja6 h ARG 1150Cb 0.25 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 2ja6 h ARG 1150CO -0.20 0.34 -0.02 -0.07 0.56 0.00 0.00 179.97 180.59 2ja6 h LEU 1151N -0.04 0.71 0.00 3.04 4.07 -0.04 -3.35 115.31 119.69 2ja6 h LEU 1151Ca 0.03 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2ja6 h LEU 1151Cb 0.25 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.80 2ja6 h LEU 1151CO 0.00 0.78 0.00 0.23 -1.08 0.00 0.00 178.44 178.38 2ja6 n MET 1152N -4.22 0.00 -0.19 1.13 2.81 0.27 -3.88 117.12 113.04 2ja6 n MET 1152Ca 0.02 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.00 2ja6 n MET 1152Cb 0.30 0.00 0.17 0.00 -0.71 0.00 0.00 33.22 32.98 2ja6 n MET 1152CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2ja6 n GLU 1153N 0.00 -0.04 -1.08 0.03 4.71 -1.20 0.47 120.64 123.53 2ja6 n GLU 1153Ca 0.00 0.83 -0.24 0.00 -0.01 0.00 0.00 57.16 57.74 2ja6 n GLU 1153Cb 0.00 -1.33 0.06 0.00 -1.01 0.00 0.00 31.44 29.16 2ja6 n GLU 1153CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ja6 n ALA 1154N -3.36 5.62 -2.00 0.62 0.00 -0.67 -4.85 120.51 115.87 2ja6 n ALA 1154Ca 0.13 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 51.14 2ja6 n ALA 1154Cb 0.44 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2ja6 n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ja6 n SER 1155N -0.22 0.00 0.00 0.00 2.88 0.18 -4.88 113.62 111.58 2ja6 n SER 1155Ca 0.44 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2ja6 n SER 1155Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2ja6 n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2ja6 n ASP 1156N 0.00 0.00 -1.86 -3.46 8.00 -1.22 -4.89 116.55 113.11 2ja6 n ASP 1156Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2ja6 n ASP 1156Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2ja6 n ASP 1156CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ja6 n ALA 1157N -2.85 -1.41 -3.23 2.24 0.00 -1.25 -4.58 120.51 109.43 2ja6 n ALA 1157Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 2ja6 n ALA 1157Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 2ja6 n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2ja6 s PHE 1158N -0.23 -0.31 -0.24 0.00 5.36 -0.52 -4.60 117.98 117.44 2ja6 s PHE 1158Ca 0.00 0.35 -0.00 0.00 -0.96 0.00 0.00 56.93 56.32 2ja6 s PHE 1158Cb 0.00 0.24 0.03 0.00 -0.34 0.00 0.00 43.02 42.95 2ja6 s PHE 1158CO 0.00 -0.56 -0.09 0.50 -1.46 0.00 0.00 175.22 173.61 2ja6 s ARG 1159N -2.20 2.69 0.35 10.12 3.00 -1.26 -0.96 118.95 130.70 2ja6 s ARG 1159Ca -0.07 -1.06 0.09 0.00 -1.00 0.00 0.00 55.73 53.69 2ja6 s ARG 1159Cb -0.01 -2.90 -0.06 0.00 0.00 0.00 0.00 34.95 31.97 2ja6 s ARG 1159CO -0.00 -0.42 0.00 0.08 0.00 0.00 0.00 175.30 174.96 2ja6 s VAL 1160N 1.26 2.45 0.20 7.11 1.01 -0.61 -4.96 120.40 126.86 2ja6 s VAL 1160Ca -0.02 -2.00 0.08 0.00 0.00 0.00 0.00 61.98 60.05 2ja6 s VAL 1160Cb -0.17 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2ja6 s VAL 1160CO -0.06 -0.16 -0.04 -1.00 0.00 0.00 0.00 175.10 173.84 2ja6 s HIS 1161N -2.56 2.72 0.30 5.22 3.76 -1.26 -0.25 115.29 123.22 2ja6 s HIS 1161Ca 0.35 -0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 2ja6 s HIS 1161Cb 0.02 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 2ja6 s HIS 1161CO 0.19 0.54 0.13 0.42 -0.85 0.00 0.00 174.74 175.17 2ja6 s ILE 1162N -1.85 0.47 -0.23 0.60 1.01 -0.60 -4.50 121.20 116.09 2ja6 s ILE 1162Ca 0.27 -2.00 -0.10 0.00 0.00 0.00 0.00 60.65 58.83 2ja6 s ILE 1162Cb -0.08 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2ja6 s ILE 1162CO 0.17 0.00 0.13 0.00 0.00 0.00 0.00 174.94 175.25 2ja6 h GLY 1164N 7.31 0.00 0.00 0.00 0.00 -1.41 -3.32 103.07 105.65 2ja6 h GLY 1164Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2ja6 h GLY 1164CO 0.67 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.60 2ja6 n ILE 1165N -3.07 0.00 -3.01 2.60 5.41 -1.26 -4.79 119.36 115.23 2ja6 n ILE 1165Ca -0.03 0.16 -0.43 0.00 1.00 0.00 0.00 62.75 63.45 2ja6 n ILE 1165Cb 0.09 -0.73 -0.05 0.00 -0.71 0.00 0.00 39.64 38.25 2ja6 n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ja6 n GLY 1167N 5.20 0.80 3.65 0.00 0.00 -1.26 -4.13 105.19 109.46 2ja6 n GLY 1167Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2ja6 n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja6 s LEU 1168N 0.00 2.54 0.00 0.99 1.43 -1.26 -1.12 118.68 121.26 2ja6 s LEU 1168Ca 0.00 -1.50 0.27 0.00 -1.03 0.00 0.00 54.13 51.87 2ja6 s LEU 1168Cb 0.00 -0.74 0.90 0.00 0.03 0.00 0.00 46.19 46.37 2ja6 s LEU 1168CO 0.00 -0.65 1.65 0.23 0.23 0.00 0.00 176.35 177.81 2ja6 n MET 1169N -1.06 1.07 -0.08 1.70 2.81 -1.26 -3.25 117.12 117.05 2ja6 n MET 1169Ca -0.10 -0.60 -0.02 0.00 -1.81 0.00 0.00 57.70 55.16 2ja6 n MET 1169Cb 0.67 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.67 2ja6 n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2ja6 n THR 1170N -0.44 -0.13 0.00 2.03 -1.04 -1.26 -4.77 114.28 108.67 2ja6 n THR 1170Ca 0.14 0.76 0.00 0.00 -2.04 0.00 0.00 64.05 62.91 2ja6 n THR 1170Cb 0.34 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 2ja6 n THR 1170CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2ja6 n VAL 1171N -3.43 0.00 -3.29 12.58 0.31 -1.26 -4.85 118.33 118.39 2ja6 n VAL 1171Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 2ja6 n VAL 1171Cb 0.05 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.98 2ja6 n VAL 1171CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ja6 s ILE 1172N 0.00 5.83 -0.42 2.52 1.01 -1.07 -4.93 121.20 124.14 2ja6 s ILE 1172Ca 0.00 -3.18 -0.29 0.00 0.00 0.00 0.00 60.65 57.18 2ja6 s ILE 1172Cb 0.00 -4.63 0.02 0.00 0.01 0.00 0.00 42.46 37.86 2ja6 s ILE 1172CO 0.00 -1.22 1.21 0.00 0.00 0.00 0.00 174.94 174.93 2ja6 s ALA 1173N -0.69 3.21 -2.34 9.38 0.00 -1.26 -4.37 121.76 125.69 2ja6 s ALA 1173Ca 0.30 -0.26 0.21 0.00 0.00 0.00 0.00 51.96 52.21 2ja6 s ALA 1173Cb -0.09 -3.86 0.66 0.00 0.00 0.00 0.00 23.12 19.83 2ja6 s ALA 1173CO -0.07 -2.11 1.50 1.63 0.00 0.00 0.00 175.76 176.71 2ja6 n LYS 1174N 7.68 1.92 -0.55 0.00 5.02 -1.10 -4.91 118.16 126.21 2ja6 n LYS 1174Ca 0.13 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 2ja6 n LYS 1174Cb 0.48 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 2ja6 n LYS 1174CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ja6 n LEU 1175N 0.61 0.00 0.00 -0.35 4.77 -1.26 -4.07 117.00 116.69 2ja6 n LEU 1175Ca 0.17 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2ja6 n LEU 1175Cb 0.40 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2ja6 n LEU 1175CO 0.14 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.79 2ja6 n ASN 1176N -0.09 0.00 -0.94 -1.43 3.02 -1.26 -4.74 115.26 109.82 2ja6 n ASN 1176Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2ja6 n ASN 1176Cb 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 2ja6 n ASN 1176CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2ja6 n HIS 1177N -1.61 0.01 -0.14 3.10 8.25 -1.26 -4.78 115.22 118.79 2ja6 n HIS 1177Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 2ja6 n HIS 1177Cb 0.00 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.88 2ja6 n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2ja6 n ASN 1178N 0.44 -0.07 -4.66 0.41 3.02 -1.26 -4.87 115.26 108.26 2ja6 n ASN 1178Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 2ja6 n ASN 1178Cb 0.47 -0.72 0.04 0.00 -0.61 0.00 0.00 39.78 38.97 2ja6 n ASN 1178CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ja6 n GLN 1179N 0.18 1.28 0.00 3.52 6.02 -1.26 -4.86 117.38 122.26 2ja6 n GLN 1179Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2ja6 n GLN 1179Cb 0.01 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 28.97 2ja6 n GLN 1179CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2ja6 n PHE 1180N -1.24 0.00 0.00 1.08 3.01 -1.26 -2.73 117.46 116.32 2ja6 n PHE 1180Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2ja6 n PHE 1180Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2ja6 n PHE 1180CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2ja6 n GLU 1181N -1.62 0.00 0.00 -1.08 1.02 -1.26 -2.61 120.64 115.08 2ja6 n GLU 1181Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2ja6 n GLU 1181Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 2ja6 n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ja6 n LYS 1183N 0.00 0.00 0.00 0.00 4.01 -1.26 0.04 118.16 120.95 2ja6 n LYS 1183Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2ja6 n LYS 1183Cb 0.00 -0.84 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 2ja6 n LYS 1183CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ja6 n GLY 1184N 2.93 1.85 0.10 0.72 0.00 -1.26 -3.65 105.19 105.88 2ja6 n GLY 1184Ca -0.02 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.68 2ja6 n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ja6 n ASP 1186N -2.17 -6.71 0.00 0.00 -0.08 0.11 -5.02 116.55 102.68 2ja6 n ASP 1186Ca 0.04 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 2ja6 n ASP 1186Cb 0.34 -1.61 0.00 0.00 2.34 0.00 0.00 41.12 42.19 2ja6 n ASP 1186CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2ja6 n ASN 1187N 1.44 0.00 0.00 1.67 2.85 -1.24 -4.92 115.26 115.06 2ja6 n ASN 1187Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2ja6 n ASN 1187Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 2ja6 n ASN 1187CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2ja6 n LYS 1188N 0.00 0.00 0.06 1.20 5.02 -1.26 -4.79 118.16 118.39 2ja6 n LYS 1188Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ja6 n LYS 1188Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2ja6 n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2ja6 n ILE 1189N -1.01 0.82 -2.79 -0.18 5.41 -1.26 -4.69 119.36 115.66 2ja6 n ILE 1189Ca 0.00 0.27 -0.43 0.00 1.00 0.00 0.00 62.75 63.59 2ja6 n ILE 1189Cb 0.00 -1.34 -0.03 0.00 -0.71 0.00 0.00 39.64 37.55 2ja6 n ILE 1189CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ja6 s ASP 1190N -5.66 6.34 -0.08 4.38 2.15 -1.26 -4.95 116.67 117.59 2ja6 s ASP 1190Ca 0.00 -1.26 -0.03 0.00 0.43 0.00 0.00 52.55 51.69 2ja6 s ASP 1190Cb 0.00 -2.46 0.04 0.00 -0.30 0.00 0.00 42.92 40.20 2ja6 s ASP 1190CO 0.00 -1.41 0.17 -0.63 -0.17 0.00 0.00 175.17 173.13 2ja6 s ILE 1191N 4.08 -0.05 0.47 4.11 1.01 -1.26 -0.95 121.20 128.61 2ja6 s ILE 1191Ca 0.30 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.20 2ja6 s ILE 1191Cb -0.10 -0.28 -0.00 0.00 0.01 0.00 0.00 42.46 42.09 2ja6 s ILE 1191CO 0.03 0.07 0.36 -0.31 0.00 0.00 0.00 174.94 175.09 2ja6 s TYR 1192N 1.22 2.23 -0.04 3.97 1.51 -1.20 -4.94 117.35 120.10 2ja6 s TYR 1192Ca -0.09 -0.65 0.01 0.00 -1.01 0.00 0.00 57.07 55.33 2ja6 s TYR 1192Cb -0.11 -2.04 0.02 0.00 -0.11 0.00 0.00 41.96 39.72 2ja6 s TYR 1192CO -0.07 -0.23 -0.06 -1.14 -1.11 0.00 0.00 175.55 172.94 2ja6 s GLN 1193N -4.16 0.93 0.18 -0.62 0.74 -1.26 -1.56 119.66 113.91 2ja6 s GLN 1193Ca 0.42 -0.16 0.04 0.00 0.05 0.00 0.00 55.36 55.71 2ja6 s GLN 1193Cb -0.02 -0.89 -0.05 0.00 1.10 0.00 0.00 33.01 33.16 2ja6 s GLN 1193CO 0.25 -0.04 -0.07 0.96 -0.55 0.00 0.00 175.29 175.83 2ja6 s ILE 1194N 0.78 1.14 -0.20 -2.34 -4.36 0.66 -4.99 121.20 111.88 2ja6 s ILE 1194Ca -0.11 -2.06 -0.04 0.00 -0.26 0.00 0.00 60.65 58.18 2ja6 s ILE 1194Cb -0.14 -2.03 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 2ja6 s ILE 1194CO 0.01 -0.60 -0.04 -1.00 0.24 0.00 0.00 174.94 173.56 2ja6 s HIS 1195N -3.35 2.98 0.03 1.37 3.76 -1.26 -1.58 115.29 117.24 2ja6 s HIS 1195Ca 0.21 -0.66 -0.18 0.00 -0.15 0.00 0.00 55.06 54.28 2ja6 s HIS 1195Cb 0.03 -2.05 0.03 0.00 1.11 0.00 0.00 32.58 31.71 2ja6 s HIS 1195CO 0.04 -0.34 0.40 0.96 -0.85 0.00 0.00 174.74 174.94 2ja6 s ILE 1196N 1.06 0.06 0.05 0.60 -4.36 -0.13 -4.93 121.20 113.54 2ja6 s ILE 1196Ca 0.01 -0.46 -0.33 0.00 -0.26 0.00 0.00 60.65 59.61 2ja6 s ILE 1196Cb -0.15 -0.89 -0.12 0.00 1.25 0.00 0.00 42.46 42.56 2ja6 s ILE 1196CO 0.00 -0.25 1.76 -0.81 0.24 0.00 0.00 174.94 175.88 2ja6 n PRO 1197N 0.70 2.31 -0.35 0.37 -0.04 -1.26 -1.43 135.00 135.30 2ja6 n PRO 1197Ca -0.19 0.84 0.23 0.00 -0.04 0.00 0.00 63.50 64.34 2ja6 n PRO 1197Cb 0.59 -2.67 0.47 0.00 -0.04 0.00 0.00 33.50 31.85 2ja6 n PRO 1197CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2ja6 h TYR 1198N 7.87 0.87 -0.90 0.54 3.20 -1.81 1.62 116.97 128.35 2ja6 h TYR 1198Ca -0.47 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.54 2ja6 h TYR 1198Cb 1.25 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.22 2ja6 h TYR 1198CO 0.77 -0.05 0.58 0.00 -1.64 0.00 0.00 178.16 177.82 2ja6 h ALA 1199N 1.74 1.65 -0.05 1.82 0.00 -1.88 -0.82 119.26 121.72 2ja6 h ALA 1199Ca 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.59 2ja6 h ALA 1199Cb 1.58 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2ja6 h ALA 1199CO -0.48 0.16 0.01 0.00 0.00 0.00 0.00 179.25 178.94 2ja6 h ALA 1200N 1.56 0.06 -0.78 0.00 0.00 0.20 0.13 119.26 120.43 2ja6 h ALA 1200Ca 0.43 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.41 2ja6 h ALA 1200Cb 0.46 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.10 2ja6 h ALA 1200CO -0.19 -0.33 0.12 -0.22 0.00 0.00 0.00 179.25 178.63 2ja6 h LYS 1201N -0.12 0.18 0.85 0.00 3.64 -0.70 0.15 116.57 120.56 2ja6 h LYS 1201Ca 0.02 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2ja6 h LYS 1201Cb 0.21 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2ja6 h LYS 1201CO -0.00 0.12 -0.41 1.25 -2.27 0.00 0.00 179.45 178.14 2ja6 h LEU 1202N 0.18 -0.96 -0.82 5.20 6.46 -0.92 0.35 115.31 124.81 2ja6 h LEU 1202Ca 0.45 0.03 0.14 0.00 -0.12 0.00 0.00 57.88 58.38 2ja6 h LEU 1202Cb 0.82 0.25 -0.14 0.00 -0.73 0.00 0.00 40.66 40.86 2ja6 h LEU 1202CO -0.61 -0.68 -0.28 -0.11 -0.62 0.00 0.00 178.44 176.14 2ja6 n LEU 1203N -5.57 -0.45 0.44 2.25 7.94 0.41 0.13 117.00 122.15 2ja6 n LEU 1203Ca -0.15 1.42 -0.19 0.00 -1.11 0.00 0.00 56.01 55.98 2ja6 n LEU 1203Cb 0.45 -0.36 -0.09 0.00 0.53 0.00 0.00 43.42 43.95 2ja6 n LEU 1203CO 0.39 -1.31 0.61 -0.26 -1.11 0.00 0.00 177.39 175.71 2ja6 h PHE 1204N 0.00 -1.01 -0.72 1.96 0.05 -0.41 0.20 116.94 117.00 2ja6 h PHE 1204Ca 0.32 -0.02 0.05 0.00 3.82 0.00 0.00 57.97 62.14 2ja6 h PHE 1204Cb 0.53 0.34 -0.04 0.00 2.00 0.00 0.00 35.95 38.77 2ja6 h PHE 1204CO -0.69 -0.63 0.47 1.96 -0.18 0.00 0.00 178.31 179.25 2ja6 h GLN 1205N -1.09 0.79 -0.54 1.51 4.20 0.33 0.10 115.11 120.40 2ja6 h GLN 1205Ca -0.11 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 2ja6 h GLN 1205Cb 0.84 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2ja6 h GLN 1205CO 0.18 0.52 0.14 0.93 -0.67 0.00 0.00 178.83 179.93 2ja6 h GLU 1206N 0.81 0.87 -0.81 1.46 5.08 0.13 -1.93 114.58 120.18 2ja6 h GLU 1206Ca 0.30 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2ja6 h GLU 1206Cb 0.15 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2ja6 h GLU 1206CO -0.09 0.81 0.47 -0.07 -1.00 0.00 0.00 179.01 179.13 2ja6 h LEU 1207N 0.77 0.99 -0.41 1.33 3.38 0.12 -2.61 115.31 118.87 2ja6 h LEU 1207Ca 0.17 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2ja6 h LEU 1207Cb 0.33 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2ja6 h LEU 1207CO 0.00 0.77 0.11 0.24 0.09 0.00 0.00 178.44 179.65 2ja6 h MET 1208N 1.12 0.65 0.00 1.13 2.86 -0.53 -1.11 114.93 119.06 2ja6 h MET 1208Ca 0.29 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2ja6 h MET 1208Cb -0.02 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.55 2ja6 h MET 1208CO -0.05 0.66 0.00 0.00 1.06 0.00 0.00 176.91 178.58 2ja6 h ALA 1209N 0.96 1.00 -0.61 6.32 0.00 -0.99 1.82 119.26 127.76 2ja6 h ALA 1209Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ja6 h ALA 1209Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ja6 h ALA 1209CO -0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2ja6 n MET 1210N -2.41 3.21 -2.09 0.00 2.00 -0.51 -4.92 117.12 112.40 2ja6 n MET 1210Ca -0.02 -2.53 -0.16 0.00 0.00 0.00 0.00 57.70 54.99 2ja6 n MET 1210Cb 0.04 -1.75 -0.02 0.00 0.00 0.00 0.00 33.22 31.49 2ja6 n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2ja6 n ASN 1211N 1.13 -4.89 -4.58 7.83 2.85 0.62 -5.00 115.26 113.22 2ja6 n ASN 1211Ca 0.23 0.10 -0.33 0.00 -0.11 0.00 0.00 54.58 54.46 2ja6 n ASN 1211Cb 0.75 -3.95 -0.11 0.00 1.24 0.00 0.00 39.78 37.70 2ja6 n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2ja6 s ILE 1212N -2.76 3.63 -0.24 -1.44 1.01 -0.64 -4.99 121.20 115.77 2ja6 s ILE 1212Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 2ja6 s ILE 1212Cb 0.00 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 2ja6 s ILE 1212CO 0.00 0.53 0.02 0.42 0.00 0.00 0.00 174.94 175.91 2ja6 s THR 1213N -0.87 3.90 -0.35 2.92 -4.23 -1.26 -3.25 115.64 112.49 2ja6 s THR 1213Ca 0.14 -0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.20 2ja6 s THR 1213Cb -0.11 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.93 2ja6 s THR 1213CO 0.03 0.35 0.19 -2.16 -0.54 0.00 0.00 174.62 172.50 2ja6 s PRO 1214N 1.55 3.01 -0.07 3.99 0.04 -1.26 -5.07 135.00 137.19 2ja6 s PRO 1214Ca 0.06 -0.95 -0.19 0.00 0.04 0.00 0.00 61.00 59.95 2ja6 s PRO 1214Cb -0.15 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.67 2ja6 s PRO 1214CO 0.01 -0.60 0.54 1.03 0.04 0.00 0.00 177.00 178.02 2ja6 s ARG 1215N 1.58 4.32 -0.43 4.56 1.81 -1.26 -4.67 118.95 124.86 2ja6 s ARG 1215Ca 0.03 0.60 -0.10 0.00 -1.72 0.00 0.00 55.73 54.54 2ja6 s ARG 1215Cb -0.18 -3.39 0.08 0.00 -0.45 0.00 0.00 34.95 31.00 2ja6 s ARG 1215CO 0.07 0.24 0.29 -0.51 -0.68 0.00 0.00 175.30 174.71 2ja6 s LEU 1216N 0.29 5.30 -0.10 2.53 2.01 -0.27 -4.95 118.68 123.49 2ja6 s LEU 1216Ca 0.29 -1.54 0.00 0.00 0.01 0.00 0.00 54.13 52.90 2ja6 s LEU 1216Cb -0.17 -2.02 -0.02 0.00 0.01 0.00 0.00 46.19 43.99 2ja6 s LEU 1216CO 0.14 -0.58 -0.10 -0.31 1.01 0.00 0.00 176.35 176.51 2ja6 s TYR 1217N 1.45 2.86 -2.10 0.29 1.51 -1.26 -4.47 117.35 115.63 2ja6 s TYR 1217Ca 0.03 -0.28 0.14 0.00 -1.01 0.00 0.00 57.07 55.96 2ja6 s TYR 1217Cb -0.24 -1.78 0.59 0.00 -0.11 0.00 0.00 41.96 40.42 2ja6 s TYR 1217CO 0.02 0.07 1.42 0.25 -1.11 0.00 0.00 175.55 176.20 2ja6 n THR 1218N 2.88 0.20 -3.72 -0.71 -2.24 -1.26 -4.84 114.28 104.59 2ja6 n THR 1218Ca -0.18 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 2ja6 n THR 1218Cb 0.53 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 2ja6 n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2ja6 s ASP 1219N -1.32 -0.45 0.27 3.42 1.47 -1.26 -5.14 116.67 113.65 2ja6 s ASP 1219Ca 0.24 0.81 -0.29 0.00 1.18 0.00 0.00 52.55 54.49 2ja6 s ASP 1219Cb 0.12 0.75 -0.09 0.00 -0.34 0.00 0.00 42.92 43.35 2ja6 s ASP 1219CO 0.18 -0.17 1.02 0.00 0.68 0.00 0.00 175.17 176.88 2ja6 s ARG 1220N 0.90 4.71 0.00 2.11 1.70 -1.26 -4.92 118.95 122.19 2ja6 s ARG 1220Ca -0.06 1.62 0.00 0.00 -0.47 0.00 0.00 55.73 56.83 2ja6 s ARG 1220Cb -0.06 -3.17 0.00 0.00 -0.57 0.00 0.00 34.95 31.15 2ja6 s ARG 1220CO -0.07 0.33 0.28 -1.13 -1.08 0.00 0.00 175.30 173.63 2ja6 n SER 1221N 1.21 0.54 -1.00 -2.89 3.41 -1.26 -4.69 113.62 108.95 2ja6 n SER 1221Ca -0.01 -1.01 0.11 0.00 -0.26 0.00 0.00 58.87 57.70 2ja6 n SER 1221Cb 0.46 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.67 2ja6 n SER 1221CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2ja6 n ARG 1222N -0.01 2.30 0.00 4.33 0.63 -1.26 -5.04 116.66 117.61 2ja6 n ARG 1222Ca 0.00 -1.96 0.00 0.00 -0.92 0.00 0.00 57.85 54.97 2ja6 n ARG 1222Cb 0.13 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.56 2ja6 n ARG 1222CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2ja6 n ASP 1223N 1.17 0.00 0.00 6.15 8.00 -1.26 -5.36 116.55 125.25 2ja6 n ASP 1223Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2ja6 n ASP 1223Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2ja6 n ASP 1223CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30