#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h38 s THR 3 N 0.00 5.17 -0.63 3.41 -4.23 -1.26 -4.77 115.64 113.32 1h38 s THR 3 Ca 0.00 0.53 -0.26 0.00 -1.18 0.00 0.00 61.69 60.79 1h38 s THR 3 Cb 0.00 -3.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.12 1h38 s THR 3 CO 0.00 0.48 2.42 -0.38 -0.54 0.00 0.00 174.62 176.60 1h38 n ILE 4 N 1.51 -0.05 -1.66 2.99 5.41 -1.22 -4.88 119.36 121.46 1h38 n ILE 4 Ca -0.13 -0.66 -0.48 0.00 1.00 0.00 0.00 62.75 62.47 1h38 n ILE 4 Cb 0.53 -2.41 -0.05 0.00 -0.71 0.00 0.00 39.64 37.00 1h38 n ILE 4 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1h38 n ASN 5 N 17.12 2.86 0.11 4.38 3.02 -1.26 -4.59 115.26 136.90 1h38 n ASN 5 Ca 0.42 1.07 0.01 0.00 -0.03 0.00 0.00 54.58 56.05 1h38 n ASN 5 Cb 0.49 -1.36 -0.01 0.00 -0.61 0.00 0.00 39.78 38.29 1h38 n ASN 5 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1h38 h ILE 6 N 4.01 0.86 0.00 2.41 1.08 -1.90 -3.38 117.51 120.60 1h38 h ILE 6 Ca -0.46 -2.28 -0.01 0.00 -0.39 0.00 0.00 64.86 61.71 1h38 h ILE 6 Cb 1.28 2.38 -0.01 0.00 -3.07 0.00 0.00 36.82 37.40 1h38 h ILE 6 CO 0.88 0.49 0.29 0.00 -0.69 0.00 0.00 178.15 179.12 1h38 n ALA 7 N -2.27 1.62 -3.00 1.87 0.00 -1.26 -3.29 120.51 114.18 1h38 n ALA 7 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1h38 n ALA 7 Cb 0.78 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1h38 n ALA 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h38 n LYS 8 N 2.65 0.01 0.00 0.00 5.02 -1.26 -4.95 118.16 119.63 1h38 n LYS 8 Ca 0.03 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.42 1h38 n LYS 8 Cb 0.08 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.54 1h38 n LYS 8 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1h38 n ASN 9 N 0.00 0.00 0.00 4.39 2.85 -1.26 -2.22 115.26 119.02 1h38 n ASN 9 Ca 0.00 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1h38 n ASN 9 Cb 0.00 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 40.62 1h38 n ASN 9 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1h38 n ASP 10 N -1.40 0.00 0.28 1.20 -0.08 -1.24 -3.15 116.55 112.16 1h38 n ASP 10 Ca 0.07 0.58 0.16 0.00 -1.51 0.00 0.00 54.79 54.09 1h38 n ASP 10 Cb 0.19 -0.24 0.74 0.00 2.34 0.00 0.00 41.12 44.16 1h38 n ASP 10 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1h38 h PHE 11 N 0.00 0.00 -0.98 -0.67 0.04 -1.64 -1.37 116.94 112.32 1h38 h PHE 11 Ca 0.00 0.00 0.28 0.00 2.80 0.00 0.00 57.97 61.05 1h38 h PHE 11 Cb 0.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1h38 h PHE 11 CO 0.07 0.06 0.70 1.03 -0.60 0.00 0.00 178.31 179.57 1h38 h SER 12 N 0.00 0.03 -0.92 2.17 0.87 -1.51 -1.08 113.55 113.12 1h38 h SER 12 Ca -0.00 0.01 0.24 0.00 -1.23 0.00 0.00 61.79 60.81 1h38 h SER 12 Cb 0.44 -0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.24 1h38 h SER 12 CO 0.01 0.01 0.05 -0.78 -0.53 0.00 0.00 176.83 175.59 1h38 h ASP 13 N 0.03 -0.38 0.00 6.23 -0.00 -1.19 -1.27 116.42 119.84 1h38 h ASP 13 Ca 0.47 0.25 -0.12 0.00 -0.00 0.00 0.00 57.03 57.63 1h38 h ASP 13 Cb 1.84 0.42 -0.03 0.00 -0.00 0.00 0.00 39.33 41.56 1h38 h ASP 13 CO -0.02 -0.29 0.21 -0.38 -0.00 0.00 0.00 179.24 178.77 1h38 n ILE 14 N -5.42 1.69 -1.53 2.25 5.41 -0.41 -4.85 119.36 116.49 1h38 n ILE 14 Ca 0.21 -0.86 -0.32 0.00 1.00 0.00 0.00 62.75 62.78 1h38 n ILE 14 Cb 0.68 -1.80 -0.09 0.00 -0.71 0.00 0.00 39.64 37.72 1h38 n ILE 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1h38 n GLU 15 N 2.84 0.53 0.00 0.38 1.02 -0.48 -4.75 120.64 120.19 1h38 n GLU 15 Ca 0.25 -0.15 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 1h38 n GLU 15 Cb 0.47 -2.64 0.31 0.00 -0.02 0.00 0.00 31.44 29.56 1h38 n GLU 15 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1h38 n LEU 16 N 13.65 0.00 -0.02 -4.62 -0.00 -1.26 -3.31 117.00 121.43 1h38 n LEU 16 Ca 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.47 1h38 n LEU 16 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.73 1h38 n LEU 16 CO 0.79 0.00 -0.67 0.00 -0.00 0.00 0.00 177.39 177.52 1h38 n ALA 17 N -0.98 2.32 -3.88 1.47 0.00 -1.26 -4.61 120.51 113.57 1h38 n ALA 17 Ca 0.08 -0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 1h38 n ALA 17 Cb 0.04 0.41 -0.17 0.00 0.00 0.00 0.00 19.45 19.73 1h38 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h38 s ALA 18 N -2.09 1.32 0.00 0.00 0.00 -1.21 -5.08 121.76 114.70 1h38 s ALA 18 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1h38 s ALA 18 Cb 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1h38 s ALA 18 CO 0.10 -0.60 0.00 -0.89 0.00 0.00 0.00 175.76 174.36 1h38 n ILE 19 N 4.94 0.00 -0.52 0.00 2.08 -1.26 -4.53 119.36 120.06 1h38 n ILE 19 Ca -0.12 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.05 1h38 n ILE 19 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.36 1h38 n ILE 19 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1h38 n PRO 20 N -0.02 1.45 -0.13 0.38 -0.04 -1.26 -3.98 135.00 131.40 1h38 n PRO 20 Ca 0.00 -1.12 0.09 0.00 -0.04 0.00 0.00 63.50 62.44 1h38 n PRO 20 Cb 0.00 -2.27 0.16 0.00 -0.04 0.00 0.00 33.50 31.35 1h38 n PRO 20 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1h38 n PHE 21 N 4.26 0.35 0.00 0.54 1.16 -1.26 -4.39 117.46 118.12 1h38 n PHE 21 Ca 0.31 -0.23 0.00 0.00 -1.87 0.00 0.00 57.45 55.66 1h38 n PHE 21 Cb 0.12 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 37.99 1h38 n PHE 21 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1h38 n ASN 22 N 1.12 0.00 0.17 5.98 3.02 -1.26 -0.40 115.26 123.89 1h38 n ASN 22 Ca 0.15 0.31 -0.07 0.00 -0.03 0.00 0.00 54.58 54.94 1h38 n ASN 22 Cb 0.50 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 1h38 n ASN 22 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1h38 h THR 23 N 0.00 0.00 0.36 3.41 1.35 -1.93 -2.36 112.91 113.74 1h38 h THR 23 Ca 0.00 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1h38 h THR 23 Cb 0.15 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.54 1h38 h THR 23 CO 0.00 0.00 -0.51 -0.07 -0.25 0.00 0.00 175.52 174.69 1h38 h LEU 24 N -0.77 -1.44 -0.90 3.87 3.38 -1.07 -0.12 115.31 118.26 1h38 h LEU 24 Ca -0.05 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.17 1h38 h LEU 24 Cb 0.35 0.50 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 1h38 h LEU 24 CO 0.08 -0.62 -0.46 0.00 0.09 0.00 0.00 178.44 177.52 1h38 h ALA 25 N -0.71 -0.18 -0.47 1.53 0.00 -1.43 0.68 119.26 118.69 1h38 h ALA 25 Ca -0.04 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1h38 h ALA 25 Cb 0.83 1.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 1h38 h ALA 25 CO -0.15 -0.78 0.03 0.22 0.00 0.00 0.00 179.25 178.57 1h38 h ASP 26 N -0.06 0.72 -0.10 0.00 3.58 -1.25 1.07 116.42 120.38 1h38 h ASP 26 Ca 0.25 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1h38 h ASP 26 Cb 0.53 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 1h38 h ASP 26 CO -0.90 0.77 -0.03 0.45 -2.88 0.00 0.00 179.24 176.64 1h38 h HIS 27 N 0.71 0.23 0.00 0.28 3.86 0.17 -3.38 115.15 117.02 1h38 h HIS 27 Ca 0.15 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1h38 h HIS 27 Cb 0.40 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1h38 h HIS 27 CO 0.02 0.53 -0.28 0.66 0.86 0.00 0.00 177.93 179.72 1h38 n TYR 28 N -4.75 0.00 0.00 2.45 4.02 0.19 -5.07 117.16 114.00 1h38 n TYR 28 Ca -0.06 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.43 1h38 n TYR 28 Cb 0.25 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1h38 n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h38 n GLY 29 N -0.56 0.57 0.09 2.72 0.00 0.37 -4.47 105.19 103.91 1h38 n GLY 29 Ca 0.06 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1h38 n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h38 h GLU 30 N 0.00 0.14 0.13 1.61 5.08 -1.89 -3.03 114.58 116.61 1h38 h GLU 30 Ca 0.00 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1h38 h GLU 30 Cb 0.00 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1h38 h GLU 30 CO 0.00 1.11 -0.44 -0.09 -1.00 0.00 0.00 179.01 178.59 1h38 h ARG 31 N -0.71 -0.63 -0.49 2.33 2.43 -1.94 0.39 114.38 115.77 1h38 h ARG 31 Ca -0.08 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1h38 h ARG 31 Cb 1.31 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.93 1h38 h ARG 31 CO 0.06 -0.42 0.07 -0.07 -1.51 0.00 0.00 179.97 178.11 1h38 h LEU 32 N -0.65 -0.05 -0.52 3.80 -0.00 -1.78 0.15 115.31 116.25 1h38 h LEU 32 Ca -0.01 0.09 0.11 0.00 -0.00 0.00 0.00 57.88 58.07 1h38 h LEU 32 Cb 0.64 0.14 -0.10 0.00 -0.00 0.00 0.00 40.66 41.35 1h38 h LEU 32 CO -0.22 0.00 -0.09 0.00 -0.00 0.00 0.00 178.44 178.13 1h38 h ALA 33 N 1.39 0.40 0.00 1.53 0.00 -1.24 0.38 119.26 121.72 1h38 h ALA 33 Ca 0.24 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 1h38 h ALA 33 Cb 0.34 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1h38 h ALA 33 CO -0.34 -0.43 -0.27 0.00 0.00 0.00 0.00 179.25 178.21 1h38 h ARG 34 N 0.03 0.00 0.07 0.00 3.08 0.98 -2.71 114.38 115.83 1h38 h ARG 34 Ca 0.26 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1h38 h ARG 34 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1h38 h ARG 34 CO -0.51 0.27 -0.03 1.49 -1.07 0.00 0.00 179.97 180.12 1h38 h GLU 35 N 0.00 -0.09 -0.15 0.04 4.81 0.16 -2.01 114.58 117.35 1h38 h GLU 35 Ca -0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1h38 h GLU 35 Cb 0.86 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 1h38 h GLU 35 CO 0.04 0.43 -0.19 0.37 -0.73 0.00 0.00 179.01 178.92 1h38 h GLN 36 N -0.67 -0.23 -0.12 1.92 5.75 -0.34 0.42 115.11 121.84 1h38 h GLN 36 Ca -0.01 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1h38 h GLN 36 Cb 0.56 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 1h38 h GLN 36 CO 0.02 -0.15 0.03 -0.07 -2.65 0.00 0.00 178.83 176.00 1h38 h LEU 37 N -0.24 0.15 -0.14 -2.39 3.38 -1.55 0.29 115.31 114.80 1h38 h LEU 37 Ca 0.10 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1h38 h LEU 37 Cb 0.39 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1h38 h LEU 37 CO -0.29 0.16 -0.20 0.00 0.09 0.00 0.00 178.44 178.21 1h38 h ALA 38 N 1.87 0.22 -0.38 1.53 0.00 -0.32 -0.47 119.26 121.70 1h38 h ALA 38 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1h38 h ALA 38 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1h38 h ALA 38 CO -0.00 0.15 0.25 1.25 0.00 0.00 0.00 179.25 180.90 1h38 h LEU 39 N 0.00 0.43 -1.02 0.00 6.46 0.43 0.39 115.31 121.99 1h38 h LEU 39 Ca 0.02 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1h38 h LEU 39 Cb 0.76 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 1h38 h LEU 39 CO 0.05 0.31 0.37 -0.33 -0.62 0.00 0.00 178.44 178.21 1h38 h GLU 40 N 0.51 1.06 -0.48 1.25 5.08 -0.43 -1.36 114.58 120.22 1h38 h GLU 40 Ca 0.14 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1h38 h GLU 40 Cb -0.05 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1h38 h GLU 40 CO -0.03 0.81 0.11 1.25 -1.00 0.00 0.00 179.01 180.15 1h38 h HIS 41 N 1.06 0.81 -0.64 4.33 2.76 -0.05 -2.84 115.15 120.58 1h38 h HIS 41 Ca 0.26 -0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 1h38 h HIS 41 Cb 0.09 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 1h38 h HIS 41 CO 0.01 0.73 0.40 1.49 -1.30 0.00 0.00 177.93 179.27 1h38 h GLU 42 N 0.65 0.78 -0.94 5.26 4.81 0.34 -1.54 114.58 123.93 1h38 h GLU 42 Ca 0.15 -0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.54 1h38 h GLU 42 Cb 0.34 -0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.47 1h38 h GLU 42 CO 0.00 0.52 0.62 0.77 -0.73 0.00 0.00 179.01 180.19 1h38 h SER 43 N 0.80 0.46 1.08 1.04 0.02 -1.02 0.56 113.55 116.50 1h38 h SER 43 Ca 0.25 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 61.13 1h38 h SER 43 Cb -0.02 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1h38 h SER 43 CO -0.09 0.17 -0.61 1.88 -1.14 0.00 0.00 176.83 177.04 1h38 h TYR 44 N 0.45 0.00 -0.48 3.45 -1.99 -1.26 -1.41 116.97 115.73 1h38 h TYR 44 Ca 0.51 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.16 1h38 h TYR 44 Cb 1.20 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.91 1h38 h TYR 44 CO -0.00 0.61 -0.00 0.93 -0.00 0.00 0.00 178.16 179.69 1h38 h GLU 45 N 0.00 0.85 -0.36 4.88 5.08 0.29 -0.75 114.58 124.58 1h38 h GLU 45 Ca -0.01 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1h38 h GLU 45 Cb 1.31 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1h38 h GLU 45 CO 0.08 0.89 -0.18 0.52 -1.00 0.00 0.00 179.01 179.32 1h38 h MET 46 N 0.71 0.66 -0.38 2.33 2.86 -0.97 -0.66 114.93 119.49 1h38 h MET 46 Ca 0.14 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1h38 h MET 46 Cb 0.51 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1h38 h MET 46 CO 0.02 0.80 -0.14 0.78 1.06 0.00 0.00 176.91 179.44 1h38 h GLY 47 N 0.98 0.73 0.74 8.32 0.00 -1.06 -0.08 103.07 112.71 1h38 h GLY 47 Ca 0.09 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1h38 h GLY 47 CO 0.05 0.51 -0.12 -2.09 0.00 0.00 0.00 176.54 174.88 1h38 h GLU 48 N 0.61 0.34 -0.41 4.80 4.81 -0.71 -0.91 114.58 123.12 1h38 h GLU 48 Ca 0.10 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1h38 h GLU 48 Cb 0.59 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1h38 h GLU 48 CO 0.04 0.71 0.17 0.00 -0.73 0.00 0.00 179.01 179.20 1h38 h ALA 49 N 0.63 1.54 0.35 2.92 0.00 -1.02 -0.48 119.26 123.21 1h38 h ALA 49 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1h38 h ALA 49 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1h38 h ALA 49 CO 0.03 0.36 -0.22 -0.09 0.00 0.00 0.00 179.25 179.33 1h38 h ARG 50 N 0.57 -0.52 -0.41 0.00 2.43 -0.74 -0.38 114.38 115.33 1h38 h ARG 50 Ca 0.14 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1h38 h ARG 50 Cb 0.10 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1h38 h ARG 50 CO -0.02 -0.35 0.27 0.35 -1.51 0.00 0.00 179.97 178.72 1h38 h PHE 51 N -0.54 0.49 0.68 2.20 -0.00 -0.61 -2.27 116.94 116.88 1h38 h PHE 51 Ca -0.04 0.01 -0.03 0.00 -0.00 0.00 0.00 57.97 57.91 1h38 h PHE 51 Cb 0.45 -0.17 0.01 0.00 -0.00 0.00 0.00 35.95 36.24 1h38 h PHE 51 CO -0.09 0.31 -0.32 0.00 -0.00 0.00 0.00 178.31 178.20 1h38 h ARG 52 N 0.53 -0.87 -1.00 1.11 2.47 -0.55 0.40 114.38 116.47 1h38 h ARG 52 Ca 0.15 0.06 0.21 0.00 -1.26 0.00 0.00 59.98 59.14 1h38 h ARG 52 Cb -0.02 0.20 -0.10 0.00 -1.65 0.00 0.00 29.97 28.39 1h38 h ARG 52 CO -0.03 -0.56 0.62 -0.22 0.56 0.00 0.00 179.97 180.33 1h38 h LYS 53 N -1.20 0.64 -0.04 0.04 3.64 -0.98 0.25 116.57 118.92 1h38 h LYS 53 Ca -0.09 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1h38 h LYS 53 Cb 0.71 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1h38 h LYS 53 CO 0.15 0.43 -0.03 1.98 -2.27 0.00 0.00 179.45 179.71 1h38 h MET 54 N 0.66 0.08 -0.03 1.90 4.05 -1.28 -2.81 114.93 117.51 1h38 h MET 54 Ca 0.58 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.97 1h38 h MET 54 Cb 1.04 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1h38 h MET 54 CO -0.37 0.51 0.03 0.35 0.23 0.00 0.00 176.91 177.67 1h38 h PHE 55 N -0.35 0.00 0.06 1.39 3.57 0.13 -2.03 116.94 119.71 1h38 h PHE 55 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h38 h PHE 55 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1h38 h PHE 55 CO 0.08 0.00 -0.03 1.49 -2.23 0.00 0.00 178.31 177.62 1h38 h GLU 56 N 0.00 -0.08 -1.01 1.11 4.22 -0.33 -2.59 114.58 115.91 1h38 h GLU 56 Ca 0.01 0.01 0.25 0.00 0.08 0.00 0.00 59.36 59.71 1h38 h GLU 56 Cb 0.08 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.22 1h38 h GLU 56 CO -0.00 -0.05 0.60 0.00 -2.18 0.00 0.00 179.01 177.38 1h38 h ARG 57 N -0.08 0.56 -0.49 1.92 3.08 -1.28 -0.23 114.38 117.86 1h38 h ARG 57 Ca -0.01 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.10 1h38 h ARG 57 Cb 0.06 -0.13 -0.09 0.00 0.08 0.00 0.00 29.97 29.90 1h38 h ARG 57 CO 0.01 0.37 -0.04 1.96 -1.07 0.00 0.00 179.97 181.20 1h38 h GLN 58 N 0.58 0.07 -0.19 0.04 1.08 -1.24 -1.78 115.11 113.67 1h38 h GLN 58 Ca 0.64 -0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.71 1h38 h GLN 58 Cb 1.23 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1h38 h GLN 58 CO -0.47 0.05 -0.37 -0.07 -0.95 0.00 0.00 178.83 177.01 1h38 h LEU 59 N 0.07 0.65 -0.43 1.46 3.38 -0.70 0.29 115.31 120.02 1h38 h LEU 59 Ca 0.24 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1h38 h LEU 59 Cb 0.37 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1h38 h LEU 59 CO -0.44 1.08 0.38 1.17 0.09 0.00 0.00 178.44 180.72 1h38 n LYS 60 N -4.28 0.05 -1.09 1.13 4.81 -0.38 -0.38 118.16 118.01 1h38 n LYS 60 Ca -0.06 0.44 0.03 0.00 -0.87 0.00 0.00 58.31 57.85 1h38 n LYS 60 Cb 0.52 -2.03 0.03 0.00 0.02 0.00 0.00 35.03 33.57 1h38 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h38 n ALA 61 N -1.40 2.33 -1.12 3.14 0.00 -1.01 -4.97 120.51 117.48 1h38 n ALA 61 Ca -0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 53.44 51.38 1h38 n ALA 61 Cb 0.39 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 1h38 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h38 n GLY 62 N 0.18 0.43 0.73 0.00 0.00 0.48 -4.77 105.19 102.25 1h38 n GLY 62 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1h38 n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h38 n GLU 63 N 0.24 1.68 0.15 1.61 1.02 0.97 -3.97 120.64 122.34 1h38 n GLU 63 Ca -0.05 -0.56 0.10 0.00 -0.02 0.00 0.00 57.16 56.63 1h38 n GLU 63 Cb 0.53 -1.62 0.51 0.00 -0.02 0.00 0.00 31.44 30.84 1h38 n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1h38 n VAL 64 N 0.10 1.08 0.04 2.62 0.31 -0.95 0.89 118.33 122.42 1h38 n VAL 64 Ca 0.05 0.72 -0.09 0.00 -0.01 0.00 0.00 64.34 65.01 1h38 n VAL 64 Cb 0.41 -1.72 -0.13 0.00 -0.91 0.00 0.00 33.84 31.49 1h38 n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h38 h ALA 65 N 1.91 0.45 -0.36 3.52 0.00 -1.89 -3.32 119.26 119.57 1h38 h ALA 65 Ca 0.00 -1.08 -0.40 0.00 0.00 0.00 0.00 54.91 53.44 1h38 h ALA 65 Cb 0.07 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.77 1h38 h ALA 65 CO 0.00 1.32 0.13 -0.25 0.00 0.00 0.00 179.25 180.45 1h38 n ASP 66 N -3.28 6.06 -3.75 0.00 10.43 0.26 -4.53 116.55 121.74 1h38 n ASP 66 Ca -0.06 -2.97 -0.13 0.00 2.57 0.00 0.00 54.79 54.20 1h38 n ASP 66 Cb 0.98 -1.29 -0.09 0.00 1.84 0.00 0.00 41.12 42.56 1h38 n ASP 66 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1h38 s ASN 67 N 0.90 -0.25 0.14 -2.24 3.84 -1.25 -5.02 114.94 111.06 1h38 s ASN 67 Ca 0.62 0.27 0.17 0.00 0.21 0.00 0.00 52.86 54.13 1h38 s ASN 67 Cb 0.36 0.43 0.76 0.00 -0.55 0.00 0.00 41.25 42.25 1h38 s ASN 67 CO -0.15 -0.37 1.54 0.00 -2.79 0.00 0.00 177.10 175.33 1h38 n ALA 68 N 1.68 1.54 0.08 1.71 0.00 -1.26 -2.19 120.51 122.07 1h38 n ALA 68 Ca -0.19 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1h38 n ALA 68 Cb 0.56 -1.28 0.11 0.00 0.00 0.00 0.00 19.45 18.84 1h38 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h38 h ALA 69 N 2.31 0.82 -0.00 0.00 0.00 -1.90 -3.30 119.26 117.18 1h38 h ALA 69 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1h38 h ALA 69 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h38 h ALA 69 CO 0.00 0.75 -0.86 0.00 0.00 0.00 0.00 179.25 179.14 1h38 n ALA 70 N -2.47 4.39 0.09 0.00 0.00 -0.93 -4.44 120.51 117.15 1h38 n ALA 70 Ca -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 1h38 n ALA 70 Cb 0.63 -0.67 0.11 0.00 0.00 0.00 0.00 19.45 19.53 1h38 n ALA 70 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1h38 h LYS 71 N 0.03 0.20 -0.54 0.00 1.57 -1.58 -3.08 116.57 113.17 1h38 h LYS 71 Ca 0.00 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1h38 h LYS 71 Cb 0.44 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1h38 h LYS 71 CO 0.00 0.77 0.35 -1.00 -0.57 0.00 0.00 179.45 179.00 1h38 h PRO 72 N 0.14 0.69 0.42 3.15 0.13 -1.80 -2.05 132.00 132.68 1h38 h PRO 72 Ca -0.01 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1h38 h PRO 72 Cb 1.16 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1h38 h PRO 72 CO 0.10 0.46 -0.20 -0.07 -0.23 0.00 0.00 178.00 178.05 1h38 h LEU 73 N 0.71 -0.48 -1.43 1.56 3.38 -1.86 -2.84 115.31 114.35 1h38 h LEU 73 Ca 0.20 -0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.36 1h38 h LEU 73 Cb -0.07 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1h38 h LEU 73 CO -0.05 -0.25 0.65 0.40 0.09 0.00 0.00 178.44 179.27 1h38 h ILE 74 N -0.69 0.59 0.00 1.22 5.03 -1.46 0.58 117.51 122.78 1h38 h ILE 74 Ca -0.06 -0.14 -0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1h38 h ILE 74 Cb 0.50 0.15 -0.00 0.00 -3.03 0.00 0.00 36.82 34.44 1h38 h ILE 74 CO 0.10 0.07 -0.01 0.74 -0.68 0.00 0.00 178.15 178.37 1h38 h THR 75 N 0.40 0.70 0.00 -0.27 2.02 -1.11 -0.58 112.91 114.07 1h38 h THR 75 Ca 0.54 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.68 1h38 h THR 75 Cb 1.37 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1h38 h THR 75 CO -0.24 0.01 -1.27 0.35 0.37 0.00 0.00 175.52 174.74 1h38 n THR 76 N -4.09 0.00 0.03 3.16 -2.24 0.16 -4.51 114.28 106.79 1h38 n THR 76 Ca -0.03 -0.26 -0.05 0.00 -2.27 0.00 0.00 64.05 61.43 1h38 n THR 76 Cb 0.09 0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 1h38 n THR 76 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1h38 h LEU 77 N 0.00 0.00 -0.27 3.22 5.85 0.12 -3.37 115.31 120.87 1h38 h LEU 77 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1h38 h LEU 77 Cb 0.48 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1h38 h LEU 77 CO 0.00 0.86 -0.03 0.25 -0.34 0.00 0.00 178.44 179.18 1h38 h LEU 78 N 0.00 0.49 -0.22 2.25 5.85 -1.34 -2.82 115.31 119.51 1h38 h LEU 78 Ca -0.15 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1h38 h LEU 78 Cb 1.79 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 1h38 h LEU 78 CO 0.09 0.71 0.14 1.55 -0.34 0.00 0.00 178.44 180.59 1h38 h PRO 79 N 0.26 0.30 -0.52 5.25 0.13 -1.80 0.78 132.00 136.40 1h38 h PRO 79 Ca 0.07 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 65.28 1h38 h PRO 79 Cb 0.47 -0.07 -0.09 0.00 0.13 0.00 0.00 31.00 31.45 1h38 h PRO 79 CO 0.02 0.22 -0.01 -0.22 -0.23 0.00 0.00 178.00 177.78 1h38 h LYS 80 N 0.29 0.10 0.17 0.86 3.64 -1.71 -0.51 116.57 119.40 1h38 h LYS 80 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1h38 h LYS 80 Cb -0.01 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1h38 h LYS 80 CO -0.02 0.07 -0.08 1.98 -2.27 0.00 0.00 179.45 179.13 1h38 h MET 81 N 0.10 -0.21 -0.71 1.90 4.05 -1.25 -2.37 114.93 116.44 1h38 h MET 81 Ca 0.26 0.01 0.16 0.00 -0.28 0.00 0.00 59.70 59.85 1h38 h MET 81 Cb 0.40 0.05 -0.13 0.00 -0.80 0.00 0.00 31.60 31.13 1h38 h MET 81 CO -0.45 0.02 -0.03 0.82 0.23 0.00 0.00 176.91 177.49 1h38 h ILE 82 N -0.42 0.36 0.12 1.77 2.04 -0.32 -1.22 117.51 119.83 1h38 h ILE 82 Ca -0.02 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1h38 h ILE 82 Cb 0.33 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1h38 h ILE 82 CO 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 178.15 178.15 1h38 h ALA 83 N 1.68 -0.16 -0.68 1.87 0.00 -1.04 -2.15 119.26 118.78 1h38 h ALA 83 Ca 0.38 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1h38 h ALA 83 Cb 0.64 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1h38 h ALA 83 CO -0.65 -0.58 -0.46 -0.09 0.00 0.00 0.00 179.25 177.47 1h38 h ARG 84 N -0.18 -0.07 -0.88 0.00 1.12 -0.69 0.39 114.38 114.07 1h38 h ARG 84 Ca -0.02 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1h38 h ARG 84 Cb 0.14 0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 30.08 1h38 h ARG 84 CO 0.03 -0.05 0.51 0.82 -3.11 0.00 0.00 179.97 178.17 1h38 h ILE 85 N -0.07 1.25 -0.15 1.20 2.04 -1.42 0.45 117.51 120.81 1h38 h ILE 85 Ca 0.11 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.44 1h38 h ILE 85 Cb 0.36 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 1h38 h ILE 85 CO -0.68 0.27 -0.24 0.78 0.00 0.00 0.00 178.15 178.28 1h38 h ASN 86 N 1.22 -0.74 0.11 1.72 2.35 -0.33 0.37 115.58 120.28 1h38 h ASN 86 Ca 0.31 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.19 1h38 h ASN 86 Cb -0.01 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1h38 h ASN 86 CO -0.05 -0.28 -0.09 0.44 -1.65 0.00 0.00 177.43 175.80 1h38 h ASP 87 N -0.29 -0.22 -0.98 5.81 3.32 -0.68 -2.54 116.42 120.84 1h38 h ASP 87 Ca 0.11 0.02 0.19 0.00 0.02 0.00 0.00 57.03 57.37 1h38 h ASP 87 Cb 0.45 0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.98 1h38 h ASP 87 CO -0.32 -0.14 0.61 -0.25 -1.72 0.00 0.00 179.24 177.43 1h38 h TRP 88 N -0.20 0.92 -0.41 4.55 2.91 -0.37 0.10 115.95 123.44 1h38 h TRP 88 Ca -0.00 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.94 1h38 h TRP 88 Cb 0.18 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 1h38 h TRP 88 CO -0.10 0.23 -0.18 0.74 -1.03 0.00 0.00 178.44 178.10 1h38 h PHE 89 N 0.68 0.89 0.00 2.65 0.04 0.13 -2.66 116.94 118.66 1h38 h PHE 89 Ca 0.54 -0.19 -0.10 0.00 2.80 0.00 0.00 57.97 61.02 1h38 h PHE 89 Cb 0.96 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1h38 h PHE 89 CO -0.00 0.91 -0.50 0.93 -0.60 0.00 0.00 178.31 179.05 1h38 h GLU 90 N 0.70 0.00 -0.80 1.51 5.08 -0.67 -2.34 114.58 118.07 1h38 h GLU 90 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1h38 h GLU 90 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1h38 h GLU 90 CO 0.05 0.50 0.48 0.93 -1.00 0.00 0.00 179.01 179.96 1h38 h GLU 91 N 0.00 1.09 0.06 2.33 5.08 -0.61 -1.79 114.58 120.74 1h38 h GLU 91 Ca -0.00 -0.10 -0.27 0.00 -1.00 0.00 0.00 59.36 57.98 1h38 h GLU 91 Cb 1.22 -0.23 0.02 0.00 0.50 0.00 0.00 28.75 30.26 1h38 h GLU 91 CO 0.06 0.77 -1.12 0.28 -1.00 0.00 0.00 179.01 178.01 1h38 h VAL 92 N 1.10 1.33 -0.13 3.13 2.07 -1.38 -3.26 116.25 119.10 1h38 h VAL 92 Ca 0.29 -2.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.32 1h38 h VAL 92 Cb -0.03 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1h38 h VAL 92 CO -0.05 0.74 -0.07 0.11 0.02 0.00 0.00 177.57 178.32 1h38 h LYS 93 N 0.28 0.20 -0.85 1.57 1.57 -1.26 -2.42 116.57 115.66 1h38 h LYS 93 Ca -0.14 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1h38 h LYS 93 Cb 1.78 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 34.01 1h38 h LYS 93 CO 0.21 0.28 0.09 0.00 -0.57 0.00 0.00 179.45 179.45 1h38 n ALA 94 N -2.50 3.40 -3.72 3.86 0.00 -0.69 -4.78 120.51 116.09 1h38 n ALA 94 Ca -0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 1h38 n ALA 94 Cb 0.21 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 1h38 n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1h38 s LYS 95 N -1.78 0.16 0.88 0.00 1.02 -0.91 -5.06 119.74 114.05 1h38 s LYS 95 Ca 0.27 0.53 -0.13 0.00 0.02 0.00 0.00 55.97 56.66 1h38 s LYS 95 Cb 0.21 -0.13 0.12 0.00 -0.52 0.00 0.00 37.83 37.51 1h38 s LYS 95 CO 0.07 -0.19 1.18 1.03 -0.92 0.00 0.00 175.35 176.52 1h38 s ARG 96 N 1.46 1.37 0.00 1.68 3.00 -1.26 -4.93 118.95 120.27 1h38 s ARG 96 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 55.73 55.78 1h38 s ARG 96 Cb -0.11 -1.88 0.00 0.00 0.00 0.00 0.00 34.95 32.96 1h38 s ARG 96 CO -0.08 -2.01 0.00 0.41 0.00 0.00 0.00 175.30 173.62 1h38 n GLY 97 N -2.83 2.19 3.48 -3.53 0.00 -1.26 -4.93 105.19 98.32 1h38 n GLY 97 Ca 0.08 -1.68 -0.56 0.00 0.00 0.00 0.00 46.02 43.87 1h38 n GLY 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h38 n LYS 98 N 1.95 0.80 -0.70 1.61 4.81 -1.26 -4.88 118.16 120.48 1h38 n LYS 98 Ca 0.00 0.25 -0.32 0.00 -0.87 0.00 0.00 58.31 57.37 1h38 n LYS 98 Cb 0.00 -2.09 0.16 0.00 0.02 0.00 0.00 35.03 33.12 1h38 n LYS 98 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1h38 n ARG 99 N 7.09 -0.73 -1.29 1.64 3.00 -1.26 -4.95 116.66 120.16 1h38 n ARG 99 Ca 0.40 -0.17 -0.32 0.00 -0.01 0.00 0.00 57.85 57.75 1h38 n ARG 99 Cb 0.12 -2.07 0.10 0.00 0.00 0.00 0.00 32.46 30.62 1h38 n ARG 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1h38 s PRO 100 N -4.07 2.06 0.14 5.56 0.04 -1.26 -4.93 135.00 132.55 1h38 s PRO 100 Ca 0.62 1.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.88 1h38 s PRO 100 Cb -0.21 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1h38 s PRO 100 CO 0.64 -1.84 1.63 1.15 0.04 0.00 0.00 177.00 178.62 1h38 h THR 101 N -0.83 0.40 -0.22 1.26 2.02 -1.98 -2.84 112.91 110.72 1h38 h THR 101 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1h38 h THR 101 Cb 1.26 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1h38 h THR 101 CO 0.49 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.52 1h38 h ALA 102 N 0.69 0.28 -1.08 6.16 0.00 -1.93 -2.88 119.26 120.50 1h38 h ALA 102 Ca 0.12 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.31 1h38 h ALA 102 Cb 0.47 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 1h38 h ALA 102 CO -0.34 -0.25 0.68 0.35 0.00 0.00 0.00 179.25 179.69 1h38 h PHE 103 N 0.29 0.71 -0.16 0.00 3.57 -1.88 -1.50 116.94 117.97 1h38 h PHE 103 Ca 0.08 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1h38 h PHE 103 Cb -0.03 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.46 1h38 h PHE 103 CO -0.07 -0.01 -0.22 1.96 -2.23 0.00 0.00 178.31 177.74 1h38 h GLN 104 N 0.36 -0.25 0.00 1.11 1.08 -1.42 -2.82 115.11 113.16 1h38 h GLN 104 Ca 0.66 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.87 1h38 h GLN 104 Cb 1.67 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.16 1h38 h GLN 104 CO -0.37 -0.17 -0.00 0.74 -0.95 0.00 0.00 178.83 178.08 1h38 h PHE 105 N -0.26 -0.00 0.00 2.96 -1.00 -1.48 -3.32 116.94 113.84 1h38 h PHE 105 Ca 0.11 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1h38 h PHE 105 Cb 0.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.99 1h38 h PHE 105 CO -0.33 0.98 0.04 1.28 -1.61 0.00 0.00 178.31 178.66 1h38 n LEU 106 N -4.62 0.00 0.10 1.54 4.77 -0.65 -0.09 117.00 118.05 1h38 n LEU 106 Ca -0.10 0.17 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1h38 n LEU 106 Cb 0.47 -0.17 0.28 0.00 -2.33 0.00 0.00 43.42 41.66 1h38 n LEU 106 CO 0.34 -0.17 0.64 1.56 -1.33 0.00 0.00 177.39 178.42 1h38 h GLN 107 N 0.00 0.00 0.06 3.23 1.08 -1.59 -3.36 115.11 114.53 1h38 h GLN 107 Ca 0.00 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 1h38 h GLN 107 Cb 0.09 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 1h38 h GLN 107 CO 0.00 0.00 -2.15 0.39 -0.95 0.00 0.00 178.83 176.12 1h38 n GLU 108 N -2.30 0.70 -2.64 1.46 -0.58 0.87 -4.91 120.64 113.23 1h38 n GLU 108 Ca 0.04 0.21 -0.42 0.00 -0.42 0.00 0.00 57.16 56.57 1h38 n GLU 108 Cb 0.45 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 1h38 n GLU 108 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1h38 s ILE 109 N -2.55 4.68 -0.06 -3.67 1.09 -1.25 -4.97 121.20 114.47 1h38 s ILE 109 Ca -0.23 1.94 -0.37 0.00 -1.10 0.00 0.00 60.65 60.88 1h38 s ILE 109 Cb 0.07 -4.25 -0.15 0.00 -1.06 0.00 0.00 42.46 37.08 1h38 s ILE 109 CO 0.73 0.08 1.58 1.17 -0.10 0.00 0.00 174.94 178.40 1h38 n LYS 110 N 4.44 1.37 -0.29 2.79 4.81 -1.26 -4.74 118.16 125.28 1h38 n LYS 110 Ca 0.08 0.50 0.07 0.00 -0.87 0.00 0.00 58.31 58.08 1h38 n LYS 110 Cb 0.49 -2.19 0.18 0.00 0.02 0.00 0.00 35.03 33.52 1h38 n LYS 110 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1h38 h PRO 111 N 6.23 0.06 -0.42 1.64 0.13 -1.93 -0.50 132.00 137.21 1h38 h PRO 111 Ca -0.47 -0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1h38 h PRO 111 Cb 1.31 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.34 1h38 h PRO 111 CO 0.88 0.04 -0.24 0.93 -0.23 0.00 0.00 178.00 179.37 1h38 h GLU 112 N 0.06 -0.16 -0.65 0.86 3.07 -1.94 0.91 114.58 116.73 1h38 h GLU 112 Ca 0.45 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.30 1h38 h GLU 112 Cb 0.81 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 1h38 h GLU 112 CO -0.78 -0.11 0.29 0.00 -1.40 0.00 0.00 179.01 177.01 1h38 h ALA 113 N 1.05 1.28 0.59 3.43 0.00 -1.48 -2.10 119.26 122.03 1h38 h ALA 113 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1h38 h ALA 113 Cb 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1h38 h ALA 113 CO -0.52 0.54 -0.30 0.28 0.00 0.00 0.00 179.25 179.26 1h38 h VAL 114 N 0.93 0.39 -0.07 0.00 2.07 -0.16 0.40 116.25 119.81 1h38 h VAL 114 Ca 0.22 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.78 1h38 h VAL 114 Cb 0.13 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 1h38 h VAL 114 CO -0.03 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.22 1h38 h ALA 115 N -0.40 -0.46 0.38 1.67 0.00 -0.76 -2.23 119.26 117.46 1h38 h ALA 115 Ca -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1h38 h ALA 115 Cb 0.63 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1h38 h ALA 115 CO 0.12 -0.84 -0.40 -0.92 0.00 0.00 0.00 179.25 177.21 1h38 h TYR 116 N -0.45 -1.08 -0.83 0.00 -0.00 -1.31 -2.17 116.97 111.12 1h38 h TYR 116 Ca 0.08 0.01 0.21 0.00 -0.00 0.00 0.00 58.73 59.02 1h38 h TYR 116 Cb 0.57 0.42 -0.14 0.00 -0.00 0.00 0.00 36.73 37.59 1h38 h TYR 116 CO -0.39 -0.55 0.13 0.82 -0.00 0.00 0.00 178.16 178.17 1h38 h ILE 117 N -0.80 0.31 0.29 1.81 2.04 -0.03 -0.56 117.51 120.58 1h38 h ILE 117 Ca -0.03 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1h38 h ILE 117 Cb 0.72 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1h38 h ILE 117 CO -0.07 0.03 -0.14 0.74 0.00 0.00 0.00 178.15 178.70 1h38 h THR 118 N 0.16 0.74 -0.37 -0.27 2.02 -1.10 -1.11 112.91 112.98 1h38 h THR 118 Ca 0.49 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 67.43 1h38 h THR 118 Cb 0.95 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 68.18 1h38 h THR 118 CO -0.67 0.06 -0.54 0.40 0.37 0.00 0.00 175.52 175.14 1h38 h ILE 119 N -0.54 0.02 0.57 3.11 1.08 -0.51 -0.06 117.51 121.17 1h38 h ILE 119 Ca -0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.40 1h38 h ILE 119 Cb 0.40 0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.17 1h38 h ILE 119 CO 0.07 0.00 -0.28 0.50 -0.69 0.00 0.00 178.15 177.75 1h38 h LYS 120 N -0.41 -0.74 -0.25 2.37 3.64 -1.22 -2.51 116.57 117.45 1h38 h LYS 120 Ca 0.08 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1h38 h LYS 120 Cb 0.61 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1h38 h LYS 120 CO -0.57 -0.47 0.17 1.15 -2.27 0.00 0.00 179.45 177.46 1h38 h THR 121 N -0.83 0.90 0.44 1.00 2.02 -1.07 -2.10 112.91 113.27 1h38 h THR 121 Ca -0.08 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1h38 h THR 121 Cb 0.62 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1h38 h THR 121 CO 0.13 0.01 -0.21 0.74 0.37 0.00 0.00 175.52 176.56 1h38 h THR 122 N 0.05 0.44 -0.80 3.16 2.02 -0.82 -2.78 112.91 114.18 1h38 h THR 122 Ca 0.11 -0.50 0.23 0.00 0.77 0.00 0.00 66.41 67.02 1h38 h THR 122 Cb 0.39 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1h38 h THR 122 CO -0.01 0.07 0.57 -0.07 0.37 0.00 0.00 175.52 176.46 1h38 h LEU 123 N -0.93 0.03 -0.32 2.58 3.38 -1.00 0.10 115.31 119.15 1h38 h LEU 123 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1h38 h LEU 123 Cb 0.57 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1h38 h LEU 123 CO 0.10 0.01 -0.04 0.00 0.09 0.00 0.00 178.44 178.60 1h38 h ALA 124 N 1.60 0.44 -0.13 1.53 0.00 -1.29 -2.53 119.26 118.88 1h38 h ALA 124 Ca 0.38 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1h38 h ALA 124 Cb 1.49 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1h38 h ALA 124 CO -0.02 0.23 -0.15 0.00 0.00 0.00 0.00 179.25 179.32 1h38 h LEU 126 N -0.07 0.25 -3.54 0.00 3.38 -1.01 0.12 115.31 114.43 1h38 h LEU 126 Ca 0.02 0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.58 1h38 h LEU 126 Cb 0.68 -0.04 -0.20 0.00 0.09 0.00 0.00 40.66 41.19 1h38 h LEU 126 CO 0.04 0.14 0.53 0.35 0.09 0.00 0.00 178.44 179.59 1h38 n THR 127 N -4.45 2.85 -3.86 0.22 -2.24 -0.96 -4.89 114.28 100.95 1h38 n THR 127 Ca 0.10 -1.78 -0.35 0.00 -2.27 0.00 0.00 64.05 59.74 1h38 n THR 127 Cb 0.44 -0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 67.62 1h38 n THR 127 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h38 s SER 128 N -0.59 6.41 0.17 3.42 0.15 0.41 -4.73 113.70 118.93 1h38 s SER 128 Ca 0.42 0.43 -0.29 0.00 0.70 0.00 0.00 55.95 57.22 1h38 s SER 128 Cb 0.34 -2.04 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 1h38 s SER 128 CO 0.03 0.31 1.55 0.00 1.20 0.00 0.00 173.24 176.33 1h38 h ALA 129 N 4.25 -0.44 0.00 5.45 0.00 -1.90 -3.42 119.26 123.20 1h38 h ALA 129 Ca -0.51 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1h38 h ALA 129 Cb 1.20 1.25 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1h38 h ALA 129 CO 0.65 -0.91 -0.06 -0.25 0.00 0.00 0.00 179.25 178.67 1h38 n ASP 130 N -5.32 0.22 -4.66 0.00 8.00 -1.26 -5.07 116.55 108.46 1h38 n ASP 130 Ca 0.03 0.31 -0.42 0.00 0.71 0.00 0.00 54.79 55.41 1h38 n ASP 130 Cb 0.30 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1h38 n ASP 130 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h38 n ASN 131 N -3.35 4.13 -0.45 -2.24 2.85 -1.26 -4.78 115.26 110.17 1h38 n ASN 131 Ca 0.00 0.90 0.00 0.00 -0.11 0.00 0.00 54.58 55.37 1h38 n ASN 131 Cb 0.03 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 39.53 1h38 n ASN 131 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h38 n THR 132 N 5.55 0.00 -1.73 -0.44 -2.24 -1.26 -4.78 114.28 109.38 1h38 n THR 132 Ca 0.20 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.56 1h38 n THR 132 Cb 0.40 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 1h38 n THR 132 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1h38 n THR 133 N 0.00 1.66 0.47 4.28 -2.24 -1.26 -2.04 114.28 115.15 1h38 n THR 133 Ca 0.00 -0.42 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 1h38 n THR 133 Cb 0.64 -1.76 0.24 0.00 -2.10 0.00 0.00 70.33 67.35 1h38 n THR 133 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1h38 n VAL 134 N 0.93 0.54 -0.07 2.28 3.14 0.32 -2.22 118.33 123.25 1h38 n VAL 134 Ca 0.05 0.13 -0.08 0.00 -2.96 0.00 0.00 64.34 61.48 1h38 n VAL 134 Cb 0.36 -0.99 -0.06 0.00 -1.06 0.00 0.00 33.84 32.10 1h38 n VAL 134 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1h38 h GLN 135 N 0.00 0.00 -0.33 1.45 5.75 -1.89 -3.11 115.11 116.98 1h38 h GLN 135 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1h38 h GLN 135 Cb 0.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1h38 h GLN 135 CO 0.00 0.45 0.04 0.00 -2.65 0.00 0.00 178.83 176.67 1h38 h ALA 136 N -0.63 0.44 -0.44 3.38 0.00 -1.86 -2.86 119.26 117.29 1h38 h ALA 136 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1h38 h ALA 136 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1h38 h ALA 136 CO -0.03 0.16 0.28 0.28 0.00 0.00 0.00 179.25 179.94 1h38 h VAL 137 N 0.39 1.12 -0.95 0.00 2.07 -1.64 -1.07 116.25 116.17 1h38 h VAL 137 Ca 0.10 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.48 1h38 h VAL 137 Cb 0.37 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1h38 h VAL 137 CO 0.01 0.12 0.61 0.00 0.02 0.00 0.00 177.57 178.32 1h38 h ALA 138 N 1.15 1.55 -0.25 1.67 0.00 -1.50 -0.91 119.26 120.97 1h38 h ALA 138 Ca 0.16 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1h38 h ALA 138 Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1h38 h ALA 138 CO -0.03 0.25 -0.02 1.03 0.00 0.00 0.00 179.25 180.48 1h38 h SER 139 N 0.98 0.46 0.27 0.00 0.87 -1.17 -2.31 113.55 112.65 1h38 h SER 139 Ca 0.44 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1h38 h SER 139 Cb 0.37 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1h38 h SER 139 CO -0.20 0.68 -0.36 0.00 -0.53 0.00 0.00 176.83 176.43 1h38 h ALA 140 N 0.79 -0.98 -0.71 6.23 0.00 -0.30 0.42 119.26 124.71 1h38 h ALA 140 Ca 0.07 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1h38 h ALA 140 Cb 0.46 0.64 -0.12 0.00 0.00 0.00 0.00 17.79 18.77 1h38 h ALA 140 CO 0.02 -1.02 0.04 0.82 0.00 0.00 0.00 179.25 179.11 1h38 h ILE 141 N -0.65 0.42 -0.18 0.00 2.04 -1.25 0.53 117.51 118.42 1h38 h ILE 141 Ca -0.03 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1h38 h ILE 141 Cb 0.58 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1h38 h ILE 141 CO -0.09 0.03 0.09 1.23 0.00 0.00 0.00 178.15 179.40 1h38 h GLY 142 N 0.14 0.28 0.73 5.37 0.00 -1.03 0.12 103.07 108.69 1h38 h GLY 142 Ca 0.39 -0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.67 1h38 h GLY 142 CO -0.59 0.13 0.58 -0.09 0.00 0.00 0.00 176.54 176.57 1h38 h ARG 143 N 0.17 0.88 -0.16 4.80 9.65 0.10 -1.31 114.38 128.51 1h38 h ARG 143 Ca 0.06 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.71 1h38 h ARG 143 Cb 0.12 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1h38 h ARG 143 CO -0.01 0.58 -0.62 0.00 2.80 0.00 0.00 179.97 182.72 1h38 h ALA 144 N 1.55 0.61 -0.70 2.80 0.00 -0.52 -3.11 119.26 119.88 1h38 h ALA 144 Ca 0.41 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1h38 h ALA 144 Cb 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1h38 h ALA 144 CO -0.17 0.71 0.24 0.82 0.00 0.00 0.00 179.25 180.85 1h38 h ILE 145 N 0.42 1.25 -0.25 0.00 1.08 0.32 -3.08 117.51 117.26 1h38 h ILE 145 Ca -0.01 -0.82 -0.05 0.00 -0.39 0.00 0.00 64.86 63.59 1h38 h ILE 145 Cb 1.19 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1h38 h ILE 145 CO 0.12 0.32 -0.05 -0.08 -0.69 0.00 0.00 178.15 177.77 1h38 h GLU 146 N 1.02 0.47 -0.68 2.37 4.81 -1.33 -2.34 114.58 118.89 1h38 h GLU 146 Ca 0.23 -0.18 0.12 0.00 -0.13 0.00 0.00 59.36 59.40 1h38 h GLU 146 Cb 0.25 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.51 1h38 h GLU 146 CO -0.01 0.69 0.26 -0.44 -0.73 0.00 0.00 179.01 178.77 1h38 h ASP 147 N 0.22 0.24 -0.25 1.04 3.32 -1.47 0.11 116.42 119.63 1h38 h ASP 147 Ca 0.06 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 1h38 h ASP 147 Cb 0.51 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1h38 h ASP 147 CO 0.02 0.12 -0.32 -0.08 -1.72 0.00 0.00 179.24 177.26 1h38 h GLU 148 N 0.42 0.76 -0.49 3.56 4.57 -1.45 -1.25 114.58 120.70 1h38 h GLU 148 Ca 0.36 -0.36 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1h38 h GLU 148 Cb 0.50 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1h38 h GLU 148 CO -0.36 0.98 0.06 0.00 -1.18 0.00 0.00 179.01 178.51 1h38 h ALA 149 N 0.99 0.66 0.44 2.92 0.00 -0.73 0.91 119.26 124.45 1h38 h ALA 149 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1h38 h ALA 149 Cb 0.86 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1h38 h ALA 149 CO 0.07 0.41 -0.21 -0.09 0.00 0.00 0.00 179.25 179.43 1h38 h ARG 150 N 0.70 -0.58 0.00 0.00 2.43 -0.71 -3.13 114.38 113.09 1h38 h ARG 150 Ca 0.15 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1h38 h ARG 150 Cb 0.43 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1h38 h ARG 150 CO 0.01 -0.38 -0.18 1.19 -1.51 0.00 0.00 179.97 179.10 1h38 n PHE 151 N -4.97 0.31 0.07 2.20 3.72 -0.48 -2.93 117.46 115.38 1h38 n PHE 151 Ca -0.07 0.09 -0.04 0.00 -0.05 0.00 0.00 57.45 57.37 1h38 n PHE 151 Cb 0.24 -0.59 0.16 0.00 -0.94 0.00 0.00 39.48 38.34 1h38 n PHE 151 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1h38 h GLY 152 N 4.81 0.32 -0.24 1.37 0.00 -0.91 -2.79 103.07 105.64 1h38 h GLY 152 Ca 0.00 -0.35 0.27 0.00 0.00 0.00 0.00 47.33 47.25 1h38 h GLY 152 CO 0.00 0.31 0.60 -0.09 0.00 0.00 0.00 176.54 177.36 1h38 h ARG 153 N 0.23 0.50 -0.06 4.80 2.43 -1.47 0.14 114.38 120.96 1h38 h ARG 153 Ca 0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1h38 h ARG 153 Cb 0.97 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1h38 h ARG 153 CO 0.08 0.33 -0.02 0.82 -1.51 0.00 0.00 179.97 179.67 1h38 h ILE 154 N 0.51 1.31 0.00 1.20 2.04 -1.65 -0.79 117.51 120.13 1h38 h ILE 154 Ca 0.66 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1h38 h ILE 154 Cb 1.35 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1h38 h ILE 154 CO -0.49 0.26 0.00 -1.14 0.00 0.00 0.00 178.15 176.78 1h38 n ARG 155 N -4.82 0.14 0.00 2.37 0.00 -0.09 -0.91 116.66 113.35 1h38 n ARG 155 Ca -0.07 0.20 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1h38 n ARG 155 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.19 1h38 n ARG 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1h38 n ASP 156 N -1.31 0.00 0.00 6.15 9.92 -0.48 -4.81 116.55 126.03 1h38 n ASP 156 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1h38 n ASP 156 Cb 0.09 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 1h38 n ASP 156 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1h38 n LEU 157 N -2.47 0.22 -0.21 0.64 7.94 -0.33 -4.19 117.00 118.61 1h38 n LEU 157 Ca 0.00 0.07 -0.05 0.00 -1.11 0.00 0.00 56.01 54.92 1h38 n LEU 157 Cb 0.00 -0.33 -0.05 0.00 0.53 0.00 0.00 43.42 43.57 1h38 n LEU 157 CO 0.00 -0.33 0.36 -0.62 -1.11 0.00 0.00 177.39 175.69 1h38 n GLU 158 N -2.02 -0.22 -1.19 1.96 1.02 -1.20 0.23 120.64 119.23 1h38 n GLU 158 Ca 0.00 1.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.85 1h38 n GLU 158 Cb 0.00 -1.47 0.08 0.00 -0.02 0.00 0.00 31.44 30.03 1h38 n GLU 158 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h38 n ALA 159 N -3.21 5.89 -0.22 0.62 0.00 -0.09 -4.68 120.51 118.82 1h38 n ALA 159 Ca 0.01 -2.90 0.17 0.00 0.00 0.00 0.00 53.44 50.72 1h38 n ALA 159 Cb 0.13 -1.63 0.32 0.00 0.00 0.00 0.00 19.45 18.28 1h38 n ALA 159 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h38 n LYS 160 N -0.61 -0.04 0.00 0.00 4.81 0.14 0.05 118.16 122.50 1h38 n LYS 160 Ca 0.53 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.92 1h38 n LYS 160 Cb 0.76 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 34.18 1h38 n LYS 160 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1h38 n HIS 161 N -4.63 0.00 -0.08 5.64 8.25 -1.26 -4.66 115.22 118.48 1h38 n HIS 161 Ca 0.22 0.00 0.25 0.00 -0.26 0.00 0.00 57.72 57.93 1h38 n HIS 161 Cb 0.74 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.57 1h38 n HIS 161 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1h38 h PHE 162 N 0.00 0.00 -0.32 4.41 -0.00 -1.72 -1.01 116.94 118.31 1h38 h PHE 162 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.97 58.06 1h38 h PHE 162 Cb 0.94 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.87 1h38 h PHE 162 CO 0.00 0.00 0.55 -0.22 -0.00 0.00 0.00 178.31 178.64 1h38 h LYS 163 N 0.00 0.00 -0.25 1.11 1.63 -0.65 -0.66 116.57 117.76 1h38 h LYS 163 Ca 0.34 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.15 1h38 h LYS 163 Cb 1.44 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.06 1h38 h LYS 163 CO -0.00 0.00 0.14 0.87 -3.45 0.00 0.00 179.45 177.01 1h38 h LYS 164 N 0.00 0.28 0.00 1.90 1.79 -1.43 0.42 116.57 119.53 1h38 h LYS 164 Ca 0.15 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1h38 h LYS 164 Cb 1.26 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1h38 h LYS 164 CO -0.00 0.19 0.00 0.09 -1.08 0.00 0.00 179.45 178.64 1h38 n ASN 165 N -4.95 0.00 -0.05 0.86 4.13 -0.25 -3.56 115.26 111.44 1h38 n ASN 165 Ca -0.02 -0.16 -0.10 0.00 1.68 0.00 0.00 54.58 55.98 1h38 n ASN 165 Cb 0.05 -0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.12 1h38 n ASN 165 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1h38 n VAL 166 N -1.13 1.14 -0.24 2.41 0.31 -0.04 -4.60 118.33 116.17 1h38 n VAL 166 Ca 0.08 0.06 -0.06 0.00 -0.01 0.00 0.00 64.34 64.41 1h38 n VAL 166 Cb 0.07 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.07 1h38 n VAL 166 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h38 n GLU 167 N -3.86 -0.26 -0.28 5.55 1.02 0.13 0.02 120.64 122.95 1h38 n GLU 167 Ca -0.17 1.19 0.06 0.00 -0.02 0.00 0.00 57.16 58.22 1h38 n GLU 167 Cb 0.46 -1.76 0.16 0.00 -0.02 0.00 0.00 31.44 30.28 1h38 n GLU 167 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1h38 h GLU 168 N 0.00 0.05 0.00 3.49 -0.00 -1.83 0.27 114.58 116.56 1h38 h GLU 168 Ca 0.09 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.41 1h38 h GLU 168 Cb 0.24 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.97 1h38 h GLU 168 CO -0.55 0.03 -0.18 1.96 -0.00 0.00 0.00 179.01 180.27 1h38 h GLN 169 N 0.05 0.00 0.03 1.06 4.20 -1.04 -2.43 115.11 116.98 1h38 h GLN 169 Ca 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.15 1h38 h GLN 169 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1h38 h GLN 169 CO -0.78 0.18 -0.01 1.25 -0.67 0.00 0.00 178.83 178.79 1h38 h LEU 170 N 0.00 -0.03 -0.73 1.46 6.46 0.28 -2.64 115.31 120.11 1h38 h LEU 170 Ca -0.00 -0.57 0.04 0.00 -0.12 0.00 0.00 57.88 57.22 1h38 h LEU 170 Cb 1.09 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.98 1h38 h LEU 170 CO 0.02 0.57 0.46 0.78 -0.62 0.00 0.00 178.44 179.65 1h38 h ASN 171 N -0.66 0.74 -0.53 1.25 -0.26 -0.84 0.11 115.58 115.40 1h38 h ASN 171 Ca -0.00 0.00 0.13 0.00 -0.56 0.00 0.00 56.30 55.87 1h38 h ASN 171 Cb 0.60 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.68 1h38 h ASN 171 CO 0.01 0.51 0.37 0.11 -1.06 0.00 0.00 177.43 177.36 1h38 h LYS 172 N 0.88 0.13 -6.64 0.81 1.79 -1.44 -3.40 116.57 108.71 1h38 h LYS 172 Ca 0.30 -0.01 -0.51 0.00 -2.18 0.00 0.00 60.65 58.25 1h38 h LYS 172 Cb 0.04 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1h38 h LYS 172 CO -0.12 0.09 0.37 1.03 -1.08 0.00 0.00 179.45 179.73 1h38 s ARG 173 N -5.14 4.74 0.04 3.15 1.81 0.02 -5.06 118.95 118.52 1h38 s ARG 173 Ca -0.06 1.49 0.07 0.00 -1.72 0.00 0.00 55.73 55.50 1h38 s ARG 173 Cb 0.20 -3.34 -0.02 0.00 -0.45 0.00 0.00 34.95 31.34 1h38 s ARG 173 CO 0.73 0.30 -0.19 0.08 -0.68 0.00 0.00 175.30 175.55 1h38 s VAL 174 N -0.41 1.52 0.00 3.52 1.01 -1.26 -4.86 120.40 119.92 1h38 s VAL 174 Ca 0.45 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1h38 s VAL 174 Cb -0.25 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1h38 s VAL 174 CO 0.31 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1h38 n GLY 175 N 1.86 0.24 0.44 4.51 0.00 -1.26 -4.54 105.19 106.44 1h38 n GLY 175 Ca -0.17 -1.12 0.26 0.00 0.00 0.00 0.00 46.02 44.99 1h38 n GLY 175 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1h38 h HIS 176 N 0.00 0.47 0.23 1.61 2.76 -1.96 -1.77 115.15 116.49 1h38 h HIS 176 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1h38 h HIS 176 Cb 0.00 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 1h38 h HIS 176 CO 0.00 0.04 -0.26 0.28 -1.30 0.00 0.00 177.93 176.69 1h38 h VAL 177 N 0.28 0.00 -0.53 5.26 2.07 -1.95 -2.42 116.25 118.96 1h38 h VAL 177 Ca 0.58 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.09 1h38 h VAL 177 Cb 1.71 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1h38 h VAL 177 CO -0.22 0.00 0.28 1.88 0.02 0.00 0.00 177.57 179.53 1h38 h TYR 178 N -0.50 0.71 0.00 1.57 -1.99 -1.66 -1.55 116.97 113.56 1h38 h TYR 178 Ca -0.03 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 1h38 h TYR 178 Cb 0.44 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 38.94 1h38 h TYR 178 CO -0.19 0.51 -0.06 0.87 -0.00 0.00 0.00 178.16 179.29 1h38 h LYS 179 N 0.74 0.00 0.16 4.88 1.57 -1.24 -1.87 116.57 120.80 1h38 h LYS 179 Ca 0.19 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.66 1h38 h LYS 179 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1h38 h LYS 179 CO -0.03 0.06 -1.45 -0.22 -0.57 0.00 0.00 179.45 177.24 1h38 h LYS 180 N 0.00 0.33 -0.39 3.15 3.64 -0.78 -2.91 116.57 119.61 1h38 h LYS 180 Ca -0.00 -0.57 0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1h38 h LYS 180 Cb 0.13 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1h38 h LYS 180 CO 0.01 1.24 0.20 0.00 -2.27 0.00 0.00 179.45 178.63 1h38 h ALA 181 N 0.42 0.49 -0.27 5.00 0.00 -0.95 0.36 119.26 124.31 1h38 h ALA 181 Ca -0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1h38 h ALA 181 Cb 2.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1h38 h ALA 181 CO 0.20 -0.16 0.11 0.35 0.00 0.00 0.00 179.25 179.76 1h38 h PHE 182 N 0.41 0.41 0.00 0.00 3.57 -1.47 -1.75 116.94 118.11 1h38 h PHE 182 Ca 0.17 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1h38 h PHE 182 Cb 0.06 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1h38 h PHE 182 CO -0.10 0.41 -0.01 0.52 -2.23 0.00 0.00 178.31 176.90 1h38 h MET 183 N 0.28 0.00 0.05 1.11 2.86 -1.26 -0.71 114.93 117.26 1h38 h MET 183 Ca 0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1h38 h MET 183 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1h38 h MET 183 CO -0.01 0.01 -0.02 1.96 1.06 0.00 0.00 176.91 179.91 1h38 h GLN 184 N 0.00 -0.06 -0.76 1.72 4.20 -0.54 -2.57 115.11 117.10 1h38 h GLN 184 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1h38 h GLN 184 Cb 0.46 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1h38 h GLN 184 CO 0.00 0.56 0.50 -0.39 -0.67 0.00 0.00 178.83 178.83 1h38 h VAL 185 N -0.77 1.17 -0.09 -0.54 -1.51 -1.11 -0.14 116.25 113.27 1h38 h VAL 185 Ca -0.01 -0.35 0.03 0.00 -1.23 0.00 0.00 66.70 65.15 1h38 h VAL 185 Cb 0.64 0.08 -0.04 0.00 -2.13 0.00 0.00 31.29 29.84 1h38 h VAL 185 CO 0.01 0.18 -0.12 0.58 -1.23 0.00 0.00 177.57 176.99 1h38 h VAL 186 N 1.01 0.67 -0.83 7.19 2.07 -1.21 -0.91 116.25 124.24 1h38 h VAL 186 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.86 1h38 h VAL 186 Cb -0.08 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1h38 h VAL 186 CO -0.08 0.00 0.51 -0.08 0.02 0.00 0.00 177.57 177.95 1h38 h GLU 187 N -0.16 0.92 0.00 1.57 4.81 -1.03 0.24 114.58 120.93 1h38 h GLU 187 Ca 0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1h38 h GLU 187 Cb 0.27 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1h38 h GLU 187 CO -0.18 0.61 -0.10 0.00 -0.73 0.00 0.00 179.01 178.60 1h38 h ALA 188 N 1.39 1.28 0.00 2.92 0.00 -0.22 -2.12 119.26 122.52 1h38 h ALA 188 Ca 0.36 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1h38 h ALA 188 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1h38 h ALA 188 CO -0.17 0.13 -0.58 0.22 0.00 0.00 0.00 179.25 178.85 1h38 h ASP 189 N 0.00 0.00 -0.92 0.00 1.82 0.29 -3.16 116.42 114.45 1h38 h ASP 189 Ca -0.00 -0.19 0.23 0.00 -0.39 0.00 0.00 57.03 56.68 1h38 h ASP 189 Cb 0.31 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.26 1h38 h ASP 189 CO 0.01 0.91 0.62 0.24 -1.61 0.00 0.00 179.24 179.42 1h38 h MET 190 N -1.00 0.24 -0.07 0.28 2.86 -0.62 0.59 114.93 117.22 1h38 h MET 190 Ca -0.09 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.38 1h38 h MET 190 Cb 0.66 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1h38 h MET 190 CO -0.05 0.16 -0.67 -0.07 1.06 0.00 0.00 176.91 177.34 1h38 h LEU 191 N 0.25 0.33 -0.86 1.22 3.38 -1.52 0.27 115.31 118.38 1h38 h LEU 191 Ca 0.47 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1h38 h LEU 191 Cb 1.41 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1h38 h LEU 191 CO -0.13 0.90 0.00 -1.28 0.09 0.00 0.00 178.44 178.02 1h38 h SER 192 N 0.20 0.00 0.00 -0.43 0.87 0.16 -3.42 113.55 110.93 1h38 h SER 192 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1h38 h SER 192 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1h38 h SER 192 CO 0.11 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.70 1h38 n LYS 193 N -2.34 0.00 0.00 2.24 5.02 -0.42 -5.07 118.16 117.59 1h38 n LYS 193 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1h38 n LYS 193 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 1h38 n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h38 n GLY 194 N 1.76 -2.74 3.66 0.72 0.00 0.91 -4.77 105.19 104.73 1h38 n GLY 194 Ca 0.00 -0.60 -0.52 0.00 0.00 0.00 0.00 46.02 44.89 1h38 n GLY 194 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h38 n LEU 195 N 0.00 2.49 -4.90 0.99 4.32 -1.20 -4.74 117.00 113.96 1h38 n LEU 195 Ca 0.00 1.07 -0.33 0.00 -0.02 0.00 0.00 56.01 56.73 1h38 n LEU 195 Cb 0.00 -1.25 -0.05 0.00 -1.62 0.00 0.00 43.42 40.50 1h38 n LEU 195 CO 0.00 -0.52 -0.13 -1.48 -1.22 0.00 0.00 177.39 174.04 1h38 s LEU 196 N 2.28 4.36 0.00 2.23 0.05 -1.26 -4.02 118.68 122.32 1h38 s LEU 196 Ca 0.90 0.37 0.00 0.00 0.05 0.00 0.00 54.13 55.45 1h38 s LEU 196 Cb -0.89 -2.74 0.00 0.00 -2.05 0.00 0.00 46.19 40.50 1h38 s LEU 196 CO 0.53 0.23 0.00 0.61 -0.55 0.00 0.00 176.35 177.16 1h38 n GLY 197 N 0.77 -0.57 0.00 -3.48 0.00 -1.26 -5.13 105.19 95.51 1h38 n GLY 197 Ca -0.09 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1h38 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h38 n GLY 198 N 0.00 0.48 0.00 -0.02 0.00 -1.26 -5.09 105.19 99.30 1h38 n GLY 198 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h38 n GLY 198 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h38 n GLU 199 N 0.00 0.00 -0.13 1.61 2.13 -1.26 -5.07 120.64 117.93 1h38 n GLU 199 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1h38 n GLU 199 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1h38 n GLU 199 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1h38 n ALA 200 N 0.00 1.66 0.00 4.31 0.00 -1.26 -2.85 120.51 122.37 1h38 n ALA 200 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1h38 n ALA 200 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.10 1h38 n ALA 200 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1h38 n TRP 201 N 3.47 0.00 0.24 0.00 7.02 -1.26 -4.60 117.44 122.31 1h38 n TRP 201 Ca 0.06 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.64 1h38 n TRP 201 Cb 0.08 0.00 0.62 0.00 -2.42 0.00 0.00 31.31 29.59 1h38 n TRP 201 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1h38 h SER 202 N 0.00 0.00 0.62 -0.99 0.87 -1.99 -0.27 113.55 111.78 1h38 h SER 202 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1h38 h SER 202 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1h38 h SER 202 CO 0.00 0.17 -0.57 0.77 -0.53 0.00 0.00 176.83 176.67 1h38 h SER 203 N 0.00 0.00 -0.09 6.23 4.64 -1.83 -3.38 113.55 119.11 1h38 h SER 203 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.94 1h38 h SER 203 Cb 0.40 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.54 1h38 h SER 203 CO 0.02 0.57 1.04 0.79 -0.87 0.00 0.00 176.83 178.38 1h38 n TRP 204 N -3.80 0.98 -1.17 4.77 7.02 -0.11 -4.88 117.44 120.24 1h38 n TRP 204 Ca -0.01 -0.74 -0.33 0.00 -1.02 0.00 0.00 57.50 55.40 1h38 n TRP 204 Cb 0.58 -1.77 0.12 0.00 -2.42 0.00 0.00 31.31 27.82 1h38 n TRP 204 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1h38 s HIS 205 N 10.65 1.94 0.25 -5.99 2.46 -1.26 -4.70 115.29 118.63 1h38 s HIS 205 Ca 0.71 1.66 0.19 0.00 0.47 0.00 0.00 55.06 58.10 1h38 s HIS 205 Cb 0.06 -3.40 1.06 0.00 -0.13 0.00 0.00 32.58 30.17 1h38 s HIS 205 CO 0.23 -2.62 1.54 1.57 -2.47 0.00 0.00 174.74 172.99 1h38 h LYS 206 N -0.89 0.00 0.70 2.88 -0.00 -1.95 0.71 116.57 118.02 1h38 h LYS 206 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.16 1h38 h LYS 206 Cb 1.28 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.52 1h38 h LYS 206 CO 0.47 0.00 -0.34 0.93 -0.00 0.00 0.00 179.45 180.51 1h38 h GLU 207 N 0.00 -0.91 -0.75 0.07 4.39 -1.95 -2.53 114.58 112.91 1h38 h GLU 207 Ca 0.00 0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.86 1h38 h GLU 207 Cb 0.61 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 29.39 1h38 h GLU 207 CO 0.00 -0.60 0.38 -0.44 -1.16 0.00 0.00 179.01 177.18 1h38 h ASP 208 N -1.21 0.49 -0.05 1.42 3.32 -1.20 -1.90 116.42 117.29 1h38 h ASP 208 Ca -0.10 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.05 1h38 h ASP 208 Cb 0.72 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 1h38 h ASP 208 CO 0.16 0.27 -0.51 0.28 -1.72 0.00 0.00 179.24 177.72 1h38 h SER 209 N 0.62 -1.58 0.39 6.45 0.02 -1.43 -0.65 113.55 117.38 1h38 h SER 209 Ca 0.37 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1h38 h SER 209 Cb 0.42 0.61 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 1h38 h SER 209 CO -0.28 -0.50 -0.41 0.40 -1.14 0.00 0.00 176.83 174.90 1h38 h ILE 210 N -0.62 0.18 -0.93 3.27 1.08 -0.96 -1.10 117.51 118.44 1h38 h ILE 210 Ca 0.03 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.77 1h38 h ILE 210 Cb 0.70 0.18 -0.15 0.00 -3.07 0.00 0.00 36.82 34.48 1h38 h ILE 210 CO -0.38 0.00 0.34 0.45 -0.69 0.00 0.00 178.15 177.87 1h38 h HIS 211 N -0.82 0.53 0.26 1.37 3.86 -1.14 0.26 115.15 119.47 1h38 h HIS 211 Ca -0.03 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1h38 h HIS 211 Cb 0.74 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1h38 h HIS 211 CO -0.23 -0.23 -0.12 0.28 0.86 0.00 0.00 177.93 178.49 1h38 h VAL 212 N 0.22 0.79 -0.73 2.45 2.07 -0.58 -1.89 116.25 118.59 1h38 h VAL 212 Ca 0.63 -0.60 0.16 0.00 0.82 0.00 0.00 66.70 67.71 1h38 h VAL 212 Cb 1.35 1.11 -0.11 0.00 -1.52 0.00 0.00 31.29 32.12 1h38 h VAL 212 CO -0.66 0.12 0.17 1.23 0.02 0.00 0.00 177.57 178.45 1h38 h GLY 213 N -0.67 1.00 0.90 2.17 0.00 0.53 -2.16 103.07 104.84 1h38 h GLY 213 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1h38 h GLY 213 CO 0.06 -0.20 0.09 -2.08 0.00 0.00 0.00 176.54 174.42 1h38 h VAL 214 N 0.27 1.17 -0.41 4.60 2.07 -0.57 -1.89 116.25 121.49 1h38 h VAL 214 Ca 0.41 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1h38 h VAL 214 Cb 0.69 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1h38 h VAL 214 CO -0.51 0.18 0.14 -0.09 0.02 0.00 0.00 177.57 177.31 1h38 h ARG 215 N 0.24 0.58 0.37 1.57 9.65 -0.77 -1.88 114.38 124.14 1h38 h ARG 215 Ca 0.08 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1h38 h ARG 215 Cb 0.19 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1h38 h ARG 215 CO -0.01 0.50 -0.18 0.00 2.80 0.00 0.00 179.97 183.09 1h38 h ILE 217 N -0.64 0.68 0.35 0.00 2.04 -1.11 0.32 117.51 119.15 1h38 h ILE 217 Ca -0.05 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1h38 h ILE 217 Cb 0.46 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1h38 h ILE 217 CO 0.08 0.12 -0.17 -0.33 0.00 0.00 0.00 178.15 177.86 1h38 h GLU 218 N 0.66 -0.45 -0.62 2.37 5.08 -1.16 -0.39 114.58 120.07 1h38 h GLU 218 Ca 0.54 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 59.00 1h38 h GLU 218 Cb 0.84 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1h38 h GLU 218 CO -0.40 -0.25 0.41 0.52 -1.00 0.00 0.00 179.01 178.29 1h38 h MET 219 N -0.54 0.54 0.22 2.33 2.86 -0.28 0.12 114.93 120.18 1h38 h MET 219 Ca -0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1h38 h MET 219 Cb 0.41 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1h38 h MET 219 CO 0.08 0.36 -0.11 1.25 1.06 0.00 0.00 176.91 179.55 1h38 h LEU 220 N 0.56 -0.25 -1.30 1.22 5.85 -0.03 0.15 115.31 121.51 1h38 h LEU 220 Ca 0.27 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1h38 h LEU 220 Cb 0.35 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1h38 h LEU 220 CO -0.08 -0.04 -0.09 0.40 -0.34 0.00 0.00 178.44 178.28 1h38 h ILE 221 N -0.45 0.24 0.17 4.05 2.04 -0.59 -1.81 117.51 121.15 1h38 h ILE 221 Ca -0.03 -0.77 -0.23 0.00 1.00 0.00 0.00 64.86 64.84 1h38 h ILE 221 Cb 0.34 1.62 0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1h38 h ILE 221 CO 0.05 0.09 -0.99 -0.08 0.00 0.00 0.00 178.15 177.22 1h38 h GLU 222 N 0.00 0.36 0.12 2.37 4.81 -0.50 -3.37 114.58 118.37 1h38 h GLU 222 Ca -0.00 -0.62 -0.29 0.00 -0.13 0.00 0.00 59.36 58.32 1h38 h GLU 222 Cb 0.61 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1h38 h GLU 222 CO 0.01 1.30 -1.41 0.66 -0.73 0.00 0.00 179.01 178.84 1h38 h SER 223 N -0.24 0.39 -5.08 1.04 4.64 -0.72 -3.48 113.55 110.10 1h38 h SER 223 Ca -0.17 -0.49 -0.36 0.00 -0.47 0.00 0.00 61.79 60.30 1h38 h SER 223 Cb 1.78 -0.13 -0.14 0.00 -0.31 0.00 0.00 62.40 63.60 1h38 h SER 223 CO 0.18 1.40 -0.58 0.42 -0.87 0.00 0.00 176.83 177.39 1h38 s THR 224 N -2.63 0.23 -0.37 2.95 -4.23 -0.68 -4.84 115.64 106.07 1h38 s THR 224 Ca -0.07 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1h38 s THR 224 Cb 0.07 -2.53 0.46 0.00 1.34 0.00 0.00 72.50 71.84 1h38 s THR 224 CO 0.86 0.00 1.37 0.61 -0.54 0.00 0.00 174.62 176.92 1h38 n GLY 225 N -0.48 6.28 0.30 3.99 0.00 -1.26 -3.90 105.19 110.11 1h38 n GLY 225 Ca 0.02 -2.57 -0.04 0.00 0.00 0.00 0.00 46.02 43.43 1h38 n GLY 225 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1h38 h MET 226 N 2.12 0.86 -4.49 1.61 -1.53 -1.90 -3.39 114.93 108.22 1h38 h MET 226 Ca 0.41 -0.20 -0.37 0.00 -3.44 0.00 0.00 59.70 56.11 1h38 h MET 226 Cb 1.39 -0.12 -0.29 0.00 -0.55 0.00 0.00 31.60 32.03 1h38 h MET 226 CO 0.92 0.81 -0.77 0.14 0.14 0.00 0.00 176.91 178.15 1h38 s VAL 227 N -5.14 0.57 -0.13 -5.77 -7.23 -1.26 0.30 120.40 101.73 1h38 s VAL 227 Ca -0.10 -0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 59.70 1h38 s VAL 227 Cb 0.15 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1h38 s VAL 227 CO 0.81 0.17 0.15 -0.94 -0.31 0.00 0.00 175.10 174.98 1h38 s SER 228 N -0.07 6.37 -1.06 4.85 1.04 0.68 -4.61 113.70 120.89 1h38 s SER 228 Ca 0.01 0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 1h38 s SER 228 Cb -0.04 -2.09 0.28 0.00 0.10 0.00 0.00 66.02 64.28 1h38 s SER 228 CO -0.00 0.35 1.20 -0.11 0.98 0.00 0.00 173.24 175.65 1h38 n LEU 229 N 2.37 5.63 -4.84 2.42 7.94 -1.26 -1.34 117.00 127.92 1h38 n LEU 229 Ca -0.19 -5.13 -0.31 0.00 -1.11 0.00 0.00 56.01 49.28 1h38 n LEU 229 Cb 0.54 -1.33 -0.05 0.00 0.53 0.00 0.00 43.42 43.11 1h38 n LEU 229 CO 0.33 1.52 -0.21 -1.38 -1.11 0.00 0.00 177.39 176.54 1h38 s HIS 230 N -1.89 3.34 0.46 1.96 -3.43 -1.22 -4.94 115.29 109.58 1h38 s HIS 230 Ca 0.31 0.16 -0.21 0.00 -0.80 0.00 0.00 55.06 54.52 1h38 s HIS 230 Cb -0.03 -1.69 -0.08 0.00 -1.43 0.00 0.00 32.58 29.34 1h38 s HIS 230 CO -0.02 0.55 1.05 0.50 -2.00 0.00 0.00 174.74 174.83 1h38 s ARG 231 N -2.44 3.89 -0.26 -0.38 6.06 -1.26 -3.02 118.95 121.54 1h38 s ARG 231 Ca 0.32 1.43 -0.03 0.00 -2.50 0.00 0.00 55.73 54.95 1h38 s ARG 231 Cb -0.13 -2.24 0.03 0.00 0.06 0.00 0.00 34.95 32.68 1h38 s ARG 231 CO 0.25 -0.36 -0.03 -0.65 -2.50 0.00 0.00 175.30 172.01 1h38 s GLN 232 N -3.00 2.81 -1.10 5.12 -1.52 -0.84 -4.70 119.66 116.44 1h38 s GLN 232 Ca 0.65 -1.00 -0.01 0.00 -1.95 0.00 0.00 55.36 53.04 1h38 s GLN 232 Cb -0.19 -3.08 -0.01 0.00 -0.22 0.00 0.00 33.01 29.51 1h38 s GLN 232 CO 0.23 -0.44 0.92 0.09 -0.25 0.00 0.00 175.29 175.84 1h38 n ASN 233 N 4.69 -2.85 -4.60 5.90 5.03 -1.26 -0.87 115.26 121.31 1h38 n ASN 233 Ca -0.16 -0.60 -0.43 0.00 0.87 0.00 0.00 54.58 54.27 1h38 n ASN 233 Cb 0.47 -4.86 -0.03 0.00 -1.02 0.00 0.00 39.78 34.34 1h38 n ASN 233 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1h38 s ALA 234 N -3.34 2.70 0.00 5.41 0.00 -1.26 -2.62 121.76 122.64 1h38 s ALA 234 Ca 0.08 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1h38 s ALA 234 Cb -0.01 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1h38 s ALA 234 CO 0.69 -2.86 0.00 0.41 0.00 0.00 0.00 175.76 174.00 1h38 n GLY 235 N 5.67 1.34 3.00 0.00 0.00 -1.26 -5.04 105.19 108.90 1h38 n GLY 235 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 1h38 n GLY 235 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h38 s VAL 236 N -1.53 1.14 0.23 1.61 1.01 -1.08 -4.99 120.40 116.79 1h38 s VAL 236 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1h38 s VAL 236 Cb 0.00 -1.07 0.19 0.00 0.00 0.00 0.00 36.38 35.50 1h38 s VAL 236 CO 0.00 0.36 1.75 0.58 0.00 0.00 0.00 175.10 177.79 1h38 h VAL 237 N 6.02 0.75 -0.15 2.92 2.07 -1.95 0.03 116.25 125.94 1h38 h VAL 237 Ca -0.31 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1h38 h VAL 237 Cb 1.17 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1h38 h VAL 237 CO 0.46 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.75 1h38 n GLY 238 N -1.31 4.02 0.00 2.17 0.00 -1.26 -4.62 105.19 104.19 1h38 n GLY 238 Ca 0.12 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1h38 n GLY 238 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h38 n GLN 239 N -0.67 2.39 -1.82 1.61 6.02 -1.13 -4.95 117.38 118.82 1h38 n GLN 239 Ca 0.16 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.94 1h38 n GLN 239 Cb 0.67 -0.80 -0.07 0.00 1.02 0.00 0.00 30.24 31.05 1h38 n GLN 239 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1h38 s ASP 240 N -2.10 4.36 -0.20 1.08 -1.08 -0.02 -4.28 116.67 114.43 1h38 s ASP 240 Ca 0.00 -0.81 0.02 0.00 -0.52 0.00 0.00 52.55 51.24 1h38 s ASP 240 Cb 0.00 -2.57 0.03 0.00 -1.46 0.00 0.00 42.92 38.92 1h38 s ASP 240 CO 0.00 -3.63 -0.17 -0.55 0.52 0.00 0.00 175.17 171.34 1h38 s SER 241 N 8.50 3.48 0.04 -0.34 0.15 -0.05 -4.92 113.70 120.56 1h38 s SER 241 Ca 0.78 -0.85 -0.30 0.00 0.70 0.00 0.00 55.95 56.28 1h38 s SER 241 Cb -0.06 -1.49 -0.06 0.00 -1.71 0.00 0.00 66.02 62.69 1h38 s SER 241 CO 0.10 -0.05 1.44 -0.70 1.20 0.00 0.00 173.24 175.22 1h38 s GLU 242 N 1.24 4.28 0.11 5.44 2.12 -1.26 -1.99 118.70 128.65 1h38 s GLU 242 Ca 0.01 2.05 0.02 0.00 0.36 0.00 0.00 54.97 57.40 1h38 s GLU 242 Cb -0.15 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1h38 s GLU 242 CO -0.11 -0.57 0.05 0.25 -0.54 0.00 0.00 175.26 174.35 1h38 n THR 243 N 4.50 0.00 -4.66 -1.70 -2.24 -1.17 -0.52 114.28 108.50 1h38 n THR 243 Ca 0.13 -0.71 -0.25 0.00 -2.27 0.00 0.00 64.05 60.96 1h38 n THR 243 Cb 0.43 0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 68.80 1h38 n THR 243 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h38 s ILE 244 N -2.11 1.56 0.03 2.28 -1.09 -0.86 -3.44 121.20 117.57 1h38 s ILE 244 Ca 0.08 -1.10 0.02 0.00 -2.23 0.00 0.00 60.65 57.42 1h38 s ILE 244 Cb 0.00 -1.35 -0.02 0.00 -1.58 0.00 0.00 42.46 39.51 1h38 s ILE 244 CO 0.05 0.22 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.29 1h38 s GLU 245 N -1.03 0.56 -0.06 2.79 8.01 -0.45 -4.89 118.70 123.63 1h38 s GLU 245 Ca 0.07 -0.57 -0.30 0.00 0.01 0.00 0.00 54.97 54.18 1h38 s GLU 245 Cb -0.08 -0.44 -0.03 0.00 -4.31 0.00 0.00 34.13 29.27 1h38 s GLU 245 CO 0.01 0.10 1.13 -1.17 0.01 0.00 0.00 175.26 175.35 1h38 s LEU 246 N -1.03 4.28 -0.11 1.80 2.96 -1.26 -0.23 118.68 125.09 1h38 s LEU 246 Ca -0.04 1.73 -0.40 0.00 -0.22 0.00 0.00 54.13 55.19 1h38 s LEU 246 Cb -0.07 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.88 1h38 s LEU 246 CO 0.00 -0.52 1.33 0.00 -1.32 0.00 0.00 176.35 175.84 1h38 n ALA 247 N 5.03 -2.07 -0.23 5.97 0.00 0.15 -4.80 120.51 124.55 1h38 n ALA 247 Ca 0.10 0.53 0.04 0.00 0.00 0.00 0.00 53.44 54.11 1h38 n ALA 247 Cb 0.47 -1.93 0.15 0.00 0.00 0.00 0.00 19.45 18.14 1h38 n ALA 247 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1h38 h PRO 248 N 4.33 0.21 0.58 0.00 0.11 -1.90 -1.17 132.00 134.15 1h38 h PRO 248 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1h38 h PRO 248 Cb 1.38 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 1h38 h PRO 248 CO 0.79 0.14 -0.32 1.05 -0.21 0.00 0.00 178.00 179.44 1h38 h GLU 249 N 0.21 -0.81 0.00 1.05 4.11 -1.95 -2.64 114.58 114.55 1h38 h GLU 249 Ca 0.38 0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.87 1h38 h GLU 249 Cb 0.64 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1h38 h GLU 249 CO -0.52 -0.54 -0.00 1.88 0.07 0.00 0.00 179.01 179.90 1h38 h TYR 250 N -0.84 0.00 0.00 2.06 0.99 -1.76 0.18 116.97 117.59 1h38 h TYR 250 Ca -0.07 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.54 1h38 h TYR 250 Cb 0.67 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.38 1h38 h TYR 250 CO -0.07 0.00 -0.71 0.00 -0.00 0.00 0.00 178.16 177.38 1h38 h ALA 251 N 2.00 0.65 -0.06 3.88 0.00 -0.94 -3.20 119.26 121.58 1h38 h ALA 251 Ca -0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 1h38 h ALA 251 Cb 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1h38 h ALA 251 CO 0.00 0.70 -0.94 1.49 0.00 0.00 0.00 179.25 180.49 1h38 h GLU 252 N 0.00 0.74 0.44 0.00 4.81 -0.32 -2.60 114.58 117.65 1h38 h GLU 252 Ca -0.04 -0.72 -0.02 0.00 -0.13 0.00 0.00 59.36 58.45 1h38 h GLU 252 Cb 1.43 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 1h38 h GLU 252 CO 0.06 1.30 -0.25 0.00 -0.73 0.00 0.00 179.01 179.40 1h38 h ALA 253 N 0.46 -0.65 -0.30 2.92 0.00 -1.48 0.21 119.26 120.41 1h38 h ALA 253 Ca -0.10 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.75 1h38 h ALA 253 Cb 1.59 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.60 1h38 h ALA 253 CO 0.19 -0.87 -0.27 0.82 0.00 0.00 0.00 179.25 179.12 1h38 h ILE 254 N -0.65 0.34 -0.96 0.00 2.04 -1.64 0.93 117.51 117.57 1h38 h ILE 254 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1h38 h ILE 254 Cb 0.52 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1h38 h ILE 254 CO 0.07 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.84 1h38 h ALA 255 N 0.81 1.31 -0.21 1.87 0.00 -1.23 0.30 119.26 122.12 1h38 h ALA 255 Ca 0.15 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1h38 h ALA 255 Cb 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h38 h ALA 255 CO -0.44 0.43 -0.38 1.15 0.00 0.00 0.00 179.25 180.02 1h38 h THR 256 N 1.15 1.33 -0.30 0.00 2.02 0.66 0.21 112.91 117.98 1h38 h THR 256 Ca 0.41 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 1h38 h THR 256 Cb 0.11 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1h38 h THR 256 CO -0.16 0.50 0.08 -0.09 0.37 0.00 0.00 175.52 176.22 1h38 h ARG 257 N 0.30 0.47 -0.03 6.66 1.12 0.13 -1.31 114.38 121.71 1h38 h ARG 257 Ca 0.01 -0.11 0.01 0.00 -1.11 0.00 0.00 59.98 58.79 1h38 h ARG 257 Cb 0.97 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.86 1h38 h ARG 257 CO 0.08 0.53 -0.03 0.00 -3.11 0.00 0.00 179.97 177.45 1h38 h ALA 258 N 0.92 0.00 -0.01 2.80 0.00 -0.41 -1.58 119.26 120.98 1h38 h ALA 258 Ca 0.09 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1h38 h ALA 258 Cb 0.26 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1h38 h ALA 258 CO -0.00 -0.51 -0.21 0.78 0.00 0.00 0.00 179.25 179.30 1h38 h GLY 259 N -0.03 -1.30 -0.30 0.00 0.00 -0.36 -0.81 103.07 100.27 1h38 h GLY 259 Ca 0.02 0.63 0.12 0.00 0.00 0.00 0.00 47.33 48.10 1h38 h GLY 259 CO -0.06 -0.41 -0.22 0.00 0.00 0.00 0.00 176.54 175.85 1h38 h ALA 260 N -1.06 0.24 -0.47 3.60 0.00 -1.18 -0.57 119.26 119.83 1h38 h ALA 260 Ca 0.01 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1h38 h ALA 260 Cb 0.29 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1h38 h ALA 260 CO -0.15 -0.52 -0.01 -0.07 0.00 0.00 0.00 179.25 178.51 1h38 h LEU 261 N -0.07 -0.21 -0.09 0.00 4.07 -1.02 0.58 115.31 118.57 1h38 h LEU 261 Ca 0.27 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.35 1h38 h LEU 261 Cb 0.50 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1h38 h LEU 261 CO -0.65 -0.07 0.13 0.00 -1.08 0.00 0.00 178.44 176.77 1h38 n ALA 262 N -2.64 0.75 -0.39 1.53 0.00 -0.23 -0.14 120.51 119.39 1h38 n ALA 262 Ca 0.04 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1h38 n ALA 262 Cb 0.25 -0.77 0.27 0.00 0.00 0.00 0.00 19.45 19.20 1h38 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h38 n GLY 263 N -1.37 2.76 0.00 0.00 0.00 0.20 -3.40 105.19 103.38 1h38 n GLY 263 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1h38 n GLY 263 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h38 n ILE 264 N 0.99 0.57 -2.94 -0.61 5.41 0.81 -4.79 119.36 118.80 1h38 n ILE 264 Ca 0.20 -0.67 -0.33 0.00 1.00 0.00 0.00 62.75 62.94 1h38 n ILE 264 Cb 0.62 0.77 -0.02 0.00 -0.71 0.00 0.00 39.64 40.30 1h38 n ILE 264 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1h38 n SER 265 N -0.29 5.50 -4.78 4.38 2.88 -1.24 -4.97 113.62 115.10 1h38 n SER 265 Ca 0.00 -3.61 -0.37 0.00 -1.33 0.00 0.00 58.87 53.56 1h38 n SER 265 Cb 0.24 -0.86 -0.05 0.00 -0.75 0.00 0.00 64.21 62.79 1h38 n SER 265 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1h38 s PRO 266 N -3.47 4.38 -0.99 -1.46 0.04 -1.26 -3.98 135.00 128.25 1h38 s PRO 266 Ca 0.42 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 1h38 s PRO 266 Cb 0.20 -2.67 0.14 0.00 0.04 0.00 0.00 34.50 32.22 1h38 s PRO 266 CO -0.08 0.07 1.19 -1.64 0.04 0.00 0.00 177.00 176.58 1h38 s MET 267 N -2.29 3.72 0.24 4.56 -1.94 -0.63 -4.89 119.30 118.07 1h38 s MET 267 Ca 0.54 -1.98 -0.31 0.00 -1.71 0.00 0.00 55.69 52.23 1h38 s MET 267 Cb -0.20 -4.94 -0.13 0.00 2.01 0.00 0.00 34.83 31.57 1h38 s MET 267 CO 0.26 -1.76 1.57 1.19 -0.01 0.00 0.00 175.02 176.27 1h38 n PHE 268 N 6.26 2.57 -4.70 -0.03 3.72 -1.26 -4.59 117.46 119.43 1h38 n PHE 268 Ca 0.27 0.25 -0.31 0.00 -0.05 0.00 0.00 57.45 57.61 1h38 n PHE 268 Cb 0.48 -2.57 -0.08 0.00 -0.94 0.00 0.00 39.48 36.36 1h38 n PHE 268 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1h38 s GLN 269 N 0.11 2.11 1.12 -1.08 -0.21 -1.26 -1.56 119.66 118.88 1h38 s GLN 269 Ca 0.70 -2.32 -0.16 0.00 0.02 0.00 0.00 55.36 53.60 1h38 s GLN 269 Cb -0.57 -1.39 0.25 0.00 1.00 0.00 0.00 33.01 32.30 1h38 s GLN 269 CO 0.44 -0.33 1.09 -2.14 -2.12 0.00 0.00 175.29 172.23 1h38 s PRO 270 N -3.83 -0.54 0.15 2.91 0.02 -1.26 -4.56 135.00 127.88 1h38 s PRO 270 Ca 0.13 0.22 0.06 0.00 0.02 0.00 0.00 61.00 61.43 1h38 s PRO 270 Cb 0.03 -1.65 -0.04 0.00 0.02 0.00 0.00 34.50 32.86 1h38 s PRO 270 CO 0.07 -3.32 0.05 0.00 -0.33 0.00 0.00 177.00 173.48 1h38 n VAL 272 N -0.03 0.00 -4.04 0.00 0.31 -1.26 -1.11 118.33 112.20 1h38 n VAL 272 Ca -0.09 -0.47 -0.07 0.00 -0.01 0.00 0.00 64.34 63.69 1h38 n VAL 272 Cb 0.54 1.42 -0.10 0.00 -0.91 0.00 0.00 33.84 34.79 1h38 n VAL 272 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1h38 s VAL 273 N -1.86 0.20 0.21 2.52 -7.23 -1.26 -4.88 120.40 108.09 1h38 s VAL 273 Ca 0.24 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.45 1h38 s VAL 273 Cb 0.18 -1.42 -0.15 0.00 0.56 0.00 0.00 36.38 35.55 1h38 s VAL 273 CO 0.30 -0.91 1.05 -2.65 -0.31 0.00 0.00 175.10 172.58 1h38 n PRO 274 N 0.17 1.08 -0.69 4.82 -0.02 -1.26 -4.64 135.00 134.45 1h38 n PRO 274 Ca -0.15 0.38 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 1h38 n PRO 274 Cb 0.61 -1.79 0.16 0.00 -0.02 0.00 0.00 33.50 32.47 1h38 n PRO 274 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1h38 n PRO 275 N 1.34 -0.55 -2.43 0.52 -0.02 -1.26 -4.91 135.00 127.70 1h38 n PRO 275 Ca 0.14 -0.10 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 1h38 n PRO 275 Cb 0.27 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 1h38 n PRO 275 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1h38 s LYS 276 N -4.41 4.12 0.13 -0.52 2.20 0.68 -4.87 119.74 117.08 1h38 s LYS 276 Ca 0.65 1.51 -0.34 0.00 -0.36 0.00 0.00 55.97 57.43 1h38 s LYS 276 Cb -0.23 -3.80 -0.17 0.00 -1.51 0.00 0.00 37.83 32.13 1h38 s LYS 276 CO 0.60 -0.85 1.13 -2.30 -0.36 0.00 0.00 175.35 173.57 1h38 n PRO 277 N 6.85 0.89 -2.51 4.03 -0.02 -1.26 -0.18 135.00 142.81 1h38 n PRO 277 Ca 0.14 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 1h38 n PRO 277 Cb 0.45 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 1h38 n PRO 277 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1h38 s TRP 278 N -0.11 3.26 -0.09 6.00 0.52 -1.26 -4.64 118.94 122.62 1h38 s TRP 278 Ca 0.77 1.30 0.02 0.00 0.02 0.00 0.00 56.10 58.21 1h38 s TRP 278 Cb -0.94 -3.37 -0.03 0.00 -1.15 0.00 0.00 33.47 27.98 1h38 s TRP 278 CO 0.52 -1.08 0.09 -2.37 0.02 0.00 0.00 176.95 174.13 1h38 n THR 279 N 4.59 0.00 -3.40 2.01 5.66 -1.26 -4.98 114.28 116.91 1h38 n THR 279 Ca 0.10 -0.41 -0.02 0.00 -3.05 0.00 0.00 64.05 60.68 1h38 n THR 279 Cb 0.47 0.94 0.01 0.00 -1.55 0.00 0.00 70.33 70.20 1h38 n THR 279 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1h38 n GLY 280 N 1.18 1.39 0.40 1.09 0.00 -1.26 -5.03 105.19 102.96 1h38 n GLY 280 Ca 0.00 -1.02 0.22 0.00 0.00 0.00 0.00 46.02 45.22 1h38 n GLY 280 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1h38 h ILE 281 N 1.26 0.58 -3.81 -0.61 5.03 -1.90 -3.43 117.51 114.63 1h38 h ILE 281 Ca -0.08 0.00 -0.28 0.00 -0.12 0.00 0.00 64.86 64.38 1h38 h ILE 281 Cb 0.33 0.68 -0.07 0.00 -3.03 0.00 0.00 36.82 34.72 1h38 h ILE 281 CO 0.10 0.00 -0.21 0.35 -0.68 0.00 0.00 178.15 177.72 1h38 n THR 282 N -4.14 0.00 -0.92 -0.27 -2.24 -1.26 -0.75 114.28 104.70 1h38 n THR 282 Ca 0.10 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1h38 n THR 282 Cb 0.67 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1h38 n THR 282 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h38 n GLY 283 N -0.47 0.74 3.97 3.38 0.00 -1.10 -4.79 105.19 106.91 1h38 n GLY 283 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1h38 n GLY 283 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h38 s GLY 284 N -2.00 1.76 0.00 -0.02 0.00 -1.26 -4.74 107.32 101.06 1h38 s GLY 284 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1h38 s GLY 284 CO 0.00 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 172.85 1h38 n GLY 285 N -3.16 2.02 3.83 0.20 0.00 0.75 -4.61 105.19 104.23 1h38 n GLY 285 Ca 0.14 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1h38 n GLY 285 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h38 s TYR 286 N 0.00 3.25 -0.25 1.61 2.02 -1.26 0.25 117.35 122.97 1h38 s TYR 286 Ca 0.00 1.39 -0.18 0.00 -0.37 0.00 0.00 57.07 57.92 1h38 s TYR 286 Cb 0.00 -2.84 -0.15 0.00 -0.40 0.00 0.00 41.96 38.56 1h38 s TYR 286 CO 0.00 -1.07 -0.09 0.91 -1.57 0.00 0.00 175.55 173.73 1h38 n TRP 287 N -2.95 0.48 -0.72 2.71 7.02 -1.26 -4.58 117.44 118.13 1h38 n TRP 287 Ca 0.07 0.21 -0.32 0.00 -1.02 0.00 0.00 57.50 56.44 1h38 n TRP 287 Cb 0.54 -1.05 0.15 0.00 -2.42 0.00 0.00 31.31 28.53 1h38 n TRP 287 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1h38 n ALA 288 N -3.86 -3.11 -2.92 6.99 0.00 -1.26 -4.91 120.51 111.44 1h38 n ALA 288 Ca -0.44 -0.90 -0.37 0.00 0.00 0.00 0.00 53.44 51.73 1h38 n ALA 288 Cb 0.79 -1.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 1h38 n ALA 288 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h38 n ASN 289 N -1.83 6.04 -4.76 0.00 5.03 -1.26 -5.04 115.26 113.44 1h38 n ASN 289 Ca 0.04 -3.57 -0.34 0.00 0.87 0.00 0.00 54.58 51.59 1h38 n ASN 289 Cb 0.57 -1.02 0.05 0.00 -1.02 0.00 0.00 39.78 38.36 1h38 n ASN 289 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1h38 s GLY 290 N -2.04 2.34 0.00 7.41 0.00 -1.26 -4.80 107.32 108.97 1h38 s GLY 290 Ca 0.38 0.72 0.05 0.00 0.00 0.00 0.00 44.72 45.88 1h38 s GLY 290 CO -0.04 1.10 0.80 0.54 0.00 0.00 0.00 173.10 175.50 1h38 n ARG 291 N -2.24 0.56 -3.30 2.90 5.12 -1.26 -3.56 116.66 114.88 1h38 n ARG 291 Ca 0.12 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.78 1h38 n ARG 291 Cb 0.51 -1.13 -0.07 0.00 -1.16 0.00 0.00 32.46 30.61 1h38 n ARG 291 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1h38 n ARG 292 N -0.63 2.12 -1.85 5.56 3.00 -1.26 -5.02 116.66 118.57 1h38 n ARG 292 Ca 0.04 -4.30 -0.41 0.00 -0.00 0.00 0.00 57.85 53.17 1h38 n ARG 292 Cb 0.02 -1.98 -0.02 0.00 0.00 0.00 0.00 32.46 30.47 1h38 n ARG 292 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1h38 s PRO 293 N -2.29 4.17 0.21 -0.14 0.02 -1.23 -4.97 135.00 130.76 1h38 s PRO 293 Ca 0.40 2.49 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 1h38 s PRO 293 Cb 0.18 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.56 1h38 s PRO 293 CO -0.05 -0.57 1.25 -0.51 -0.33 0.00 0.00 177.00 176.79 1h38 s LEU 294 N -0.43 4.44 0.13 -5.54 1.43 -1.26 -4.85 118.68 112.60 1h38 s LEU 294 Ca 0.62 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.96 1h38 s LEU 294 Cb -0.46 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.08 1h38 s LEU 294 CO 0.46 -0.44 0.49 0.00 0.23 0.00 0.00 176.35 177.09 1h38 s ALA 295 N -0.15 3.63 0.24 4.21 0.00 -1.26 -2.71 121.76 125.71 1h38 s ALA 295 Ca 0.54 -0.24 0.21 0.00 0.00 0.00 0.00 51.96 52.47 1h38 s ALA 295 Cb -0.35 -2.42 0.90 0.00 0.00 0.00 0.00 23.12 21.25 1h38 s ALA 295 CO 0.39 0.50 1.83 1.25 0.00 0.00 0.00 175.76 179.74 1h38 h LEU 296 N 3.50 0.00 -7.77 0.00 5.85 -1.22 -3.42 115.31 112.26 1h38 h LEU 296 Ca -0.49 0.00 -0.48 0.00 0.84 0.00 0.00 57.88 57.76 1h38 h LEU 296 Cb 1.19 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 41.87 1h38 h LEU 296 CO 0.66 0.29 -0.79 -0.69 -0.34 0.00 0.00 178.44 177.57 1h38 s VAL 297 N -3.81 0.84 -1.08 1.05 1.01 -1.26 -2.43 120.40 114.72 1h38 s VAL 297 Ca -0.01 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 1h38 s VAL 297 Cb 0.12 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.72 1h38 s VAL 297 CO 0.66 0.31 1.48 -0.13 0.00 0.00 0.00 175.10 177.42 1h38 s ARG 298 N 1.22 3.71 0.41 2.72 0.52 0.11 -4.92 118.95 122.71 1h38 s ARG 298 Ca -0.05 -1.48 0.05 0.00 -0.52 0.00 0.00 55.73 53.73 1h38 s ARG 298 Cb -0.14 -5.33 0.00 0.00 0.52 0.00 0.00 34.95 30.00 1h38 s ARG 298 CO -0.02 -2.15 0.58 0.95 0.02 0.00 0.00 175.30 174.68 1h38 s THR 299 N 4.35 3.62 -0.15 0.02 -4.23 -1.26 -3.49 115.64 114.50 1h38 s THR 299 Ca 0.46 -0.84 -0.27 0.00 -1.18 0.00 0.00 61.69 59.86 1h38 s THR 299 Cb 0.00 -3.27 -0.25 0.00 1.34 0.00 0.00 72.50 70.32 1h38 s THR 299 CO -0.05 -0.14 0.68 0.45 -0.54 0.00 0.00 174.62 175.03 1h38 h HIS 300 N 0.61 0.00 -3.23 3.99 -0.00 -1.97 -3.47 115.15 111.08 1h38 h HIS 300 Ca -0.44 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.26 1h38 h HIS 300 Cb 1.27 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 28.55 1h38 h HIS 300 CO 0.42 1.03 -0.61 -1.54 -0.00 0.00 0.00 177.93 177.23 1h38 s SER 301 N -6.28 5.39 0.40 2.45 1.04 -1.26 -5.00 113.70 110.44 1h38 s SER 301 Ca -0.20 0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.46 1h38 s SER 301 Cb -0.02 -1.51 0.92 0.00 0.10 0.00 0.00 66.02 65.51 1h38 s SER 301 CO 0.66 0.32 1.93 0.50 0.98 0.00 0.00 173.24 177.63 1h38 h LYS 302 N 4.58 0.54 -0.74 4.02 3.64 -2.01 0.66 116.57 127.27 1h38 h LYS 302 Ca -0.50 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 58.91 1h38 h LYS 302 Cb 1.19 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 1h38 h LYS 302 CO 0.58 0.36 0.43 -0.22 -2.27 0.00 0.00 179.45 178.33 1h38 h LYS 303 N 0.56 0.76 -0.80 1.90 3.64 -2.00 -1.91 116.57 118.72 1h38 h LYS 303 Ca 0.35 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1h38 h LYS 303 Cb 0.59 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1h38 h LYS 303 CO -0.12 0.50 0.41 0.00 -2.27 0.00 0.00 179.45 177.96 1h38 h ALA 304 N 1.38 1.21 -0.28 5.00 0.00 -1.28 -2.63 119.26 122.66 1h38 h ALA 304 Ca 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1h38 h ALA 304 Cb 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1h38 h ALA 304 CO -0.19 0.62 0.13 1.25 0.00 0.00 0.00 179.25 181.06 1h38 h LEU 305 N 1.13 0.37 -1.73 0.00 6.46 -1.03 -2.78 115.31 117.72 1h38 h LEU 305 Ca 0.28 -0.13 0.14 0.00 -0.12 0.00 0.00 57.88 58.05 1h38 h LEU 305 Cb 0.08 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 1h38 h LEU 305 CO -0.04 0.39 0.44 0.24 -0.62 0.00 0.00 178.44 178.85 1h38 h MET 306 N 0.32 0.27 -0.22 1.25 2.86 -1.05 -0.97 114.93 117.39 1h38 h MET 306 Ca 0.10 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1h38 h MET 306 Cb 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1h38 h MET 306 CO -0.01 0.18 0.49 0.00 1.06 0.00 0.00 176.91 178.62 1h38 h ARG 307 N 0.27 0.00 0.00 1.72 -0.00 -1.36 0.10 114.38 115.12 1h38 h ARG 307 Ca 0.31 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.78 1h38 h ARG 307 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.81 1h38 h ARG 307 CO -0.07 0.00 -1.37 0.66 0.00 0.00 0.00 179.97 179.19 1h38 n TYR 308 N -3.19 0.63 -0.18 3.04 4.02 -0.37 -4.58 117.16 116.54 1h38 n TYR 308 Ca 0.03 0.19 -0.02 0.00 -0.01 0.00 0.00 57.90 58.09 1h38 n TYR 308 Cb 0.60 -0.81 -0.00 0.00 -0.02 0.00 0.00 39.34 39.11 1h38 n TYR 308 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1h38 n GLU 309 N -2.54 -0.13 -0.62 -0.72 4.07 0.35 -0.29 120.64 120.75 1h38 n GLU 309 Ca -0.02 0.69 0.03 0.00 -0.06 0.00 0.00 57.16 57.80 1h38 n GLU 309 Cb 0.57 -1.02 0.20 0.00 -0.06 0.00 0.00 31.44 31.13 1h38 n GLU 309 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1h38 n ASP 310 N -4.63 2.13 -4.73 4.31 8.00 -1.26 -4.75 116.55 115.62 1h38 n ASP 310 Ca 0.03 -3.75 -0.41 0.00 0.71 0.00 0.00 54.79 51.37 1h38 n ASP 310 Cb 0.16 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 1h38 n ASP 310 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1h38 s VAL 311 N -3.19 4.06 -0.55 2.53 1.01 0.60 -4.99 120.40 119.87 1h38 s VAL 311 Ca 0.40 1.63 -0.23 0.00 0.00 0.00 0.00 61.98 63.78 1h38 s VAL 311 Cb 0.37 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1h38 s VAL 311 CO -0.03 0.21 0.89 -0.47 0.00 0.00 0.00 175.10 175.70 1h38 s TYR 312 N 0.35 2.83 -0.42 5.22 5.04 -1.26 -4.91 117.35 124.20 1h38 s TYR 312 Ca 0.53 -0.11 0.08 0.00 -2.44 0.00 0.00 57.07 55.12 1h38 s TYR 312 Cb -0.28 -4.00 0.25 0.00 0.35 0.00 0.00 41.96 38.28 1h38 s TYR 312 CO 0.32 -1.31 0.63 0.00 -1.34 0.00 0.00 175.55 173.85 1h38 n MET 313 N 7.27 0.74 0.03 4.97 0.00 -1.26 -4.98 117.12 123.90 1h38 n MET 313 Ca 0.00 -2.80 -0.11 0.00 0.00 0.00 0.00 57.70 54.78 1h38 n MET 313 Cb 0.47 -1.29 -0.05 0.00 0.00 0.00 0.00 33.22 32.35 1h38 n MET 313 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1h38 h PRO 314 N 3.96 -0.43 -0.94 3.17 0.11 -1.91 -2.13 132.00 133.83 1h38 h PRO 314 Ca 0.01 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.18 1h38 h PRO 314 Cb 0.93 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1h38 h PRO 314 CO 0.42 -0.29 0.62 0.93 -0.21 0.00 0.00 178.00 179.47 1h38 h GLU 315 N -0.45 1.15 -0.26 1.05 4.39 -1.95 0.27 114.58 118.78 1h38 h GLU 315 Ca 0.08 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1h38 h GLU 315 Cb 0.56 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1h38 h GLU 315 CO -0.31 0.76 0.12 0.28 -1.16 0.00 0.00 179.01 178.70 1h38 h VAL 316 N 1.18 1.16 -0.74 3.13 2.07 -1.61 -1.65 116.25 119.79 1h38 h VAL 316 Ca 0.37 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1h38 h VAL 316 Cb 0.01 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1h38 h VAL 316 CO -0.11 0.16 0.32 1.88 0.02 0.00 0.00 177.57 179.84 1h38 h TYR 317 N 0.28 1.09 -0.11 1.57 0.05 -0.73 -2.01 116.97 117.11 1h38 h TYR 317 Ca 0.09 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.84 1h38 h TYR 317 Cb 0.14 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 1h38 h TYR 317 CO -0.02 0.81 -0.08 0.87 -1.05 0.00 0.00 178.16 178.70 1h38 h LYS 318 N 1.07 -0.08 0.36 4.88 1.57 -0.66 -0.40 116.57 123.30 1h38 h LYS 318 Ca 0.25 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1h38 h LYS 318 Cb 0.16 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1h38 h LYS 318 CO -0.03 -0.06 -0.27 0.00 -0.57 0.00 0.00 179.45 178.53 1h38 h ALA 319 N 1.00 -1.04 -0.97 3.86 0.00 -1.03 0.34 119.26 121.42 1h38 h ALA 319 Ca 0.07 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 55.15 1h38 h ALA 319 Cb 0.19 0.44 -0.15 0.00 0.00 0.00 0.00 17.79 18.27 1h38 h ALA 319 CO -0.16 -1.04 0.46 0.82 0.00 0.00 0.00 179.25 179.33 1h38 h ILE 320 N -0.61 0.29 -0.11 0.00 1.08 -1.30 0.73 117.51 117.58 1h38 h ILE 320 Ca -0.05 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 1h38 h ILE 320 Cb 0.50 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1h38 h ILE 320 CO 0.02 0.05 -0.04 0.78 -0.69 0.00 0.00 178.15 178.27 1h38 h ASN 321 N 0.28 0.23 -0.31 1.72 2.35 -0.53 -1.71 115.58 117.61 1h38 h ASN 321 Ca 0.68 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1h38 h ASN 321 Cb 1.51 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.80 1h38 h ASN 321 CO -0.63 0.56 0.17 0.40 -1.65 0.00 0.00 177.43 176.28 1h38 h ILE 322 N -0.10 1.01 0.55 2.81 2.04 0.19 -2.44 117.51 121.57 1h38 h ILE 322 Ca 0.03 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1h38 h ILE 322 Cb 0.47 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1h38 h ILE 322 CO 0.01 0.06 -0.47 0.00 0.00 0.00 0.00 178.15 177.76 1h38 h ALA 323 N 1.15 -1.17 0.00 1.87 0.00 -1.16 -1.17 119.26 118.79 1h38 h ALA 323 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1h38 h ALA 323 Cb 0.02 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1h38 h ALA 323 CO -0.07 -1.17 0.36 0.94 0.00 0.00 0.00 179.25 179.30 1h38 n GLN 324 N -5.29 0.08 0.00 0.00 7.27 -0.65 -0.58 117.38 118.20 1h38 n GLN 324 Ca -0.12 0.54 0.13 0.00 0.07 0.00 0.00 57.00 57.62 1h38 n GLN 324 Cb 0.44 -2.10 0.23 0.00 2.41 0.00 0.00 30.24 31.22 1h38 n GLN 324 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1h38 n ASN 325 N -1.98 2.21 -4.72 1.69 5.15 -0.44 -4.35 115.26 112.83 1h38 n ASN 325 Ca -0.01 -1.67 -0.42 0.00 -0.60 0.00 0.00 54.58 51.89 1h38 n ASN 325 Cb 0.37 0.09 -0.03 0.00 -0.53 0.00 0.00 39.78 39.68 1h38 n ASN 325 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1h38 s THR 326 N -2.13 3.31 -0.21 -0.44 2.01 0.25 -4.97 115.64 113.46 1h38 s THR 326 Ca 0.29 0.94 -0.23 0.00 0.31 0.00 0.00 61.69 63.00 1h38 s THR 326 Cb 0.20 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1h38 s THR 326 CO 0.38 0.07 0.73 0.00 -0.69 0.00 0.00 174.62 175.10 1h38 s ALA 327 N 1.10 3.57 0.49 7.40 0.00 -1.26 -4.59 121.76 128.47 1h38 s ALA 327 Ca 0.65 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.48 1h38 s ALA 327 Cb -0.37 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1h38 s ALA 327 CO 0.30 -0.70 0.31 -1.58 0.00 0.00 0.00 175.76 174.10 1h38 s TRP 328 N 2.26 2.08 0.03 0.00 0.52 0.21 -1.16 118.94 122.88 1h38 s TRP 328 Ca 0.32 -0.73 -0.27 0.00 0.02 0.00 0.00 56.10 55.44 1h38 s TRP 328 Cb -0.16 -1.95 0.09 0.00 -1.15 0.00 0.00 33.47 30.30 1h38 s TRP 328 CO 0.10 -0.19 0.78 -1.59 0.02 0.00 0.00 176.95 176.07 1h38 s LYS 329 N -4.13 0.97 0.05 4.98 -2.85 0.73 0.11 119.74 119.61 1h38 s LYS 329 Ca 0.36 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.79 1h38 s LYS 329 Cb -0.01 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 36.17 1h38 s LYS 329 CO 0.21 -0.40 1.09 0.42 0.10 0.00 0.00 175.35 176.77 1h38 s ILE 330 N -2.88 4.36 -1.01 3.79 -1.09 -1.26 -1.32 121.20 121.79 1h38 s ILE 330 Ca 0.01 1.73 -0.23 0.00 -2.23 0.00 0.00 60.65 59.93 1h38 s ILE 330 Cb -0.01 -4.11 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 1h38 s ILE 330 CO -0.07 0.16 1.57 0.21 -1.23 0.00 0.00 174.94 175.58 1h38 s ASN 331 N 0.86 6.21 0.20 3.58 3.84 0.24 -4.81 114.94 125.06 1h38 s ASN 331 Ca 0.55 -1.32 -0.14 0.00 0.21 0.00 0.00 52.86 52.15 1h38 s ASN 331 Cb -0.26 -2.57 0.21 0.00 -0.55 0.00 0.00 41.25 38.08 1h38 s ASN 331 CO 0.29 -1.78 1.65 0.50 -2.79 0.00 0.00 177.10 174.97 1h38 h LYS 332 N 10.04 0.03 -0.30 0.43 3.64 -1.90 -1.14 116.57 127.37 1h38 h LYS 332 Ca 0.19 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1h38 h LYS 332 Cb 1.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1h38 h LYS 332 CO 1.38 0.02 0.21 0.87 -2.27 0.00 0.00 179.45 179.66 1h38 h LYS 333 N 0.03 0.09 0.17 1.90 1.57 -1.98 -0.17 116.57 118.18 1h38 h LYS 333 Ca 0.28 -0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.75 1h38 h LYS 333 Cb 0.43 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.73 1h38 h LYS 333 CO -0.55 0.06 -1.31 0.28 -0.57 0.00 0.00 179.45 177.36 1h38 h VAL 334 N 0.10 1.40 -0.83 0.50 2.07 -1.57 -3.22 116.25 114.70 1h38 h VAL 334 Ca 0.14 -2.86 0.11 0.00 0.82 0.00 0.00 66.70 64.91 1h38 h VAL 334 Cb 0.42 2.94 -0.08 0.00 -1.52 0.00 0.00 31.29 33.05 1h38 h VAL 334 CO -0.01 0.84 0.46 0.25 0.02 0.00 0.00 177.57 179.13 1h38 h LEU 335 N 0.12 0.62 0.06 2.57 6.46 -0.17 -1.46 115.31 123.51 1h38 h LEU 335 Ca -0.18 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1h38 h LEU 335 Cb 2.02 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 41.87 1h38 h LEU 335 CO 0.23 0.32 -0.22 0.00 -0.62 0.00 0.00 178.44 178.16 1h38 h ALA 336 N 1.49 -0.32 -0.84 1.25 0.00 -1.27 0.41 119.26 119.98 1h38 h ALA 336 Ca 0.42 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1h38 h ALA 336 Cb 0.47 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1h38 h ALA 336 CO -0.29 -0.73 0.38 0.28 0.00 0.00 0.00 179.25 178.89 1h38 h VAL 337 N -0.38 1.26 -0.37 0.00 2.07 -1.37 -2.68 116.25 114.79 1h38 h VAL 337 Ca 0.04 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 1h38 h VAL 337 Cb 0.42 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1h38 h VAL 337 CO -0.16 0.32 -0.24 0.00 0.02 0.00 0.00 177.57 177.51 1h38 h ALA 338 N 1.21 0.52 -0.98 1.67 0.00 -0.75 -2.09 119.26 118.83 1h38 h ALA 338 Ca 0.28 -0.39 0.18 0.00 0.00 0.00 0.00 54.91 54.98 1h38 h ALA 338 Cb 0.15 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 1h38 h ALA 338 CO -0.03 0.51 0.58 -0.91 0.00 0.00 0.00 179.25 179.40 1h38 h ASN 339 N 0.60 0.75 0.00 0.00 2.35 0.06 -0.62 115.58 118.72 1h38 h ASN 339 Ca 0.07 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1h38 h ASN 339 Cb 0.81 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1h38 h ASN 339 CO 0.07 0.29 0.00 0.52 -1.65 0.00 0.00 177.43 176.65 1h38 n VAL 340 N -4.77 0.00 0.32 2.81 0.31 -1.03 -4.11 118.33 111.86 1h38 n VAL 340 Ca 0.22 0.69 0.20 0.00 -0.01 0.00 0.00 64.34 65.44 1h38 n VAL 340 Cb 0.53 -1.46 1.09 0.00 -0.91 0.00 0.00 33.84 33.08 1h38 n VAL 340 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1h38 h ILE 341 N 0.00 0.15 0.00 2.52 3.07 -1.38 -1.89 117.51 119.97 1h38 h ILE 341 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1h38 h ILE 341 Cb 0.00 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 37.50 1h38 h ILE 341 CO 0.00 0.00 0.00 0.71 -1.05 0.00 0.00 178.15 177.81 1h38 h THR 342 N 0.00 0.00 -0.29 0.16 1.35 -1.27 -1.75 112.91 111.10 1h38 h THR 342 Ca 0.01 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1h38 h THR 342 Cb 0.12 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1h38 h THR 342 CO -0.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 177.56 1h38 n LYS 343 N -2.51 1.96 -0.03 4.72 2.85 -0.71 -3.80 118.16 120.64 1h38 n LYS 343 Ca 0.03 -1.46 -0.02 0.00 -1.05 0.00 0.00 58.31 55.81 1h38 n LYS 343 Cb 0.34 -1.40 -0.04 0.00 -0.65 0.00 0.00 35.03 33.28 1h38 n LYS 343 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1h38 n TRP 344 N 0.68 0.00 -4.78 5.58 7.02 -0.99 -5.03 117.44 119.92 1h38 n TRP 344 Ca 0.16 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.40 1h38 n TRP 344 Cb 0.39 -0.26 -0.15 0.00 -2.42 0.00 0.00 31.31 28.86 1h38 n TRP 344 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1h38 s LYS 345 N -2.16 1.42 0.11 -0.99 1.02 -0.69 -5.03 119.74 113.42 1h38 s LYS 345 Ca -0.03 -0.58 -0.21 0.00 0.02 0.00 0.00 55.97 55.17 1h38 s LYS 345 Cb 0.02 -1.34 -0.08 0.00 -0.52 0.00 0.00 37.83 35.91 1h38 s LYS 345 CO 0.23 0.32 1.75 0.45 -0.92 0.00 0.00 175.35 177.18 1h38 h HIS 346 N 5.86 0.09 -3.76 3.18 3.86 -1.88 -3.34 115.15 119.16 1h38 h HIS 346 Ca -0.35 0.01 -0.66 0.00 -1.16 0.00 0.00 60.37 58.20 1h38 h HIS 346 Cb 1.16 -0.02 -0.37 0.00 1.06 0.00 0.00 27.41 29.24 1h38 h HIS 346 CO 0.41 0.05 -0.80 0.00 0.86 0.00 0.00 177.93 178.44 1h38 h PRO 348 N 7.81 0.00 -1.66 0.00 0.11 -1.83 -2.28 132.00 134.15 1h38 h PRO 348 Ca -0.22 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.40 1h38 h PRO 348 Cb 1.05 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.76 1h38 h PRO 348 CO 0.47 0.00 -0.98 0.28 -0.21 0.00 0.00 178.00 177.57 1h38 n VAL 349 N -3.46 1.43 -0.01 3.15 0.31 -1.26 -4.85 118.33 113.64 1h38 n VAL 349 Ca 0.28 -4.43 0.01 0.00 -0.01 0.00 0.00 64.34 60.19 1h38 n VAL 349 Cb 1.60 -0.46 -0.05 0.00 -0.91 0.00 0.00 33.84 34.02 1h38 n VAL 349 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h38 n GLU 350 N -0.10 1.38 -3.34 5.55 -0.58 -0.86 -4.90 120.64 117.79 1h38 n GLU 350 Ca 0.25 -0.04 -0.19 0.00 -0.42 0.00 0.00 57.16 56.76 1h38 n GLU 350 Cb 0.65 -1.16 -0.08 0.00 -0.57 0.00 0.00 31.44 30.28 1h38 n GLU 350 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1h38 s ASP 351 N -3.20 1.25 -0.21 1.62 1.11 -1.26 -5.11 116.67 110.87 1h38 s ASP 351 Ca -0.03 -1.90 -0.06 0.00 0.18 0.00 0.00 52.55 50.74 1h38 s ASP 351 Cb 0.03 0.38 -0.03 0.00 1.07 0.00 0.00 42.92 44.38 1h38 s ASP 351 CO 0.27 -0.24 0.03 -0.63 1.18 0.00 0.00 175.17 175.79 1h38 s ILE 352 N 1.13 4.20 -0.42 0.77 1.01 -1.26 -5.03 121.20 121.60 1h38 s ILE 352 Ca 0.20 -0.23 -0.40 0.00 0.00 0.00 0.00 60.65 60.22 1h38 s ILE 352 Cb -0.13 -2.91 -0.16 0.00 0.01 0.00 0.00 42.46 39.27 1h38 s ILE 352 CO -0.04 0.41 2.10 -2.65 0.00 0.00 0.00 174.94 174.75 1h38 n PRO 353 N 4.28 0.51 -4.55 2.79 -0.02 -1.26 -4.94 135.00 131.81 1h38 n PRO 353 Ca -0.17 0.15 -0.25 0.00 -2.02 0.00 0.00 63.50 61.21 1h38 n PRO 353 Cb 0.52 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1h38 n PRO 353 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h38 s ALA 354 N 6.13 1.70 -1.10 3.55 0.00 -1.26 -5.17 121.76 125.61 1h38 s ALA 354 Ca 1.13 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1h38 s ALA 354 Cb -1.22 -0.31 0.17 0.00 0.00 0.00 0.00 23.12 21.76 1h38 s ALA 354 CO 0.60 0.37 1.28 0.42 0.00 0.00 0.00 175.76 178.44 1h38 s ILE 355 N -0.87 5.05 -0.36 0.00 1.09 -1.26 -5.30 121.20 119.56 1h38 s ILE 355 Ca 0.07 -2.38 -0.10 0.00 -1.10 0.00 0.00 60.65 57.13 1h38 s ILE 355 Cb -0.09 -4.83 0.01 0.00 -1.06 0.00 0.00 42.46 36.50 1h38 s ILE 355 CO 0.02 -1.52 0.33 -0.62 -0.10 0.00 0.00 174.94 173.05 1h38 n GLU 372 N 5.60 -2.68 0.00 2.79 -0.58 -1.26 -5.31 120.64 119.20 1h38 n GLU 372 Ca 0.31 2.27 0.00 0.00 -0.42 0.00 0.00 57.16 59.31 1h38 n GLU 372 Cb 0.45 -5.02 0.00 0.00 -0.57 0.00 0.00 31.44 26.30 1h38 n GLU 372 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1h38 n ALA 373 N 0.21 0.00 -0.35 0.62 0.00 -1.26 -4.36 120.51 115.37 1h38 n ALA 373 Ca 0.05 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1h38 n ALA 373 Cb 0.30 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.03 1h38 n ALA 373 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1h38 h LEU 374 N 0.00 0.82 -0.99 0.00 4.07 -2.03 0.24 115.31 117.41 1h38 h LEU 374 Ca 0.00 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1h38 h LEU 374 Cb 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1h38 h LEU 374 CO 0.00 0.35 0.00 0.41 -1.08 0.00 0.00 178.44 178.12 1h38 n THR 375 N -4.72 0.00 0.00 0.22 -1.04 -1.26 -1.16 114.28 106.32 1h38 n THR 375 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1h38 n THR 375 Cb 0.48 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 1h38 n THR 375 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1h38 n ALA 376 N 0.08 1.99 -0.00 2.41 0.00 0.75 -4.51 120.51 121.23 1h38 n ALA 376 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1h38 n ALA 376 Cb 0.21 0.27 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 1h38 n ALA 376 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1h38 h TRP 377 N 0.00 0.30 0.00 0.00 -0.00 -1.22 -2.87 115.95 112.17 1h38 h TRP 377 Ca 0.00 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.89 58.66 1h38 h TRP 377 Cb 0.55 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 29.70 1h38 h TRP 377 CO 0.00 1.19 -0.03 -0.22 -0.00 0.00 0.00 178.44 179.38 1h38 h LYS 378 N -0.64 0.00 0.35 0.49 1.63 -1.38 -0.41 116.57 116.61 1h38 h LYS 378 Ca -0.09 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1h38 h LYS 378 Cb 1.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 1h38 h LYS 378 CO 0.08 0.03 -0.17 -0.09 -3.45 0.00 0.00 179.45 175.85 1h38 h ARG 379 N 0.00 -0.46 -0.47 1.90 9.65 -1.70 -2.02 114.38 121.28 1h38 h ARG 379 Ca -0.00 0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 1h38 h ARG 379 Cb 0.08 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1h38 h ARG 379 CO 0.00 -0.20 0.11 0.00 2.80 0.00 0.00 179.97 182.68 1h38 h ALA 380 N -0.09 1.30 0.18 2.80 0.00 -1.10 -2.79 119.26 119.57 1h38 h ALA 380 Ca -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1h38 h ALA 380 Cb 0.47 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1h38 h ALA 380 CO 0.08 0.49 -0.28 0.00 0.00 0.00 0.00 179.25 179.54 1h38 h ALA 381 N 1.42 -0.52 -0.05 0.00 0.00 -0.96 -0.69 119.26 118.46 1h38 h ALA 381 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1h38 h ALA 381 Cb 0.27 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1h38 h ALA 381 CO -0.00 -0.84 0.11 0.00 0.00 0.00 0.00 179.25 178.52 1h38 h ALA 382 N 0.13 1.38 0.06 0.00 0.00 -1.16 -0.97 119.26 118.70 1h38 h ALA 382 Ca 0.01 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1h38 h ALA 382 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1h38 h ALA 382 CO -0.12 -0.14 -0.67 0.00 0.00 0.00 0.00 179.25 178.32 1h38 h ALA 383 N 1.83 0.01 -0.89 0.00 0.00 -0.92 -2.63 119.26 116.66 1h38 h ALA 383 Ca 0.02 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.40 1h38 h ALA 383 Cb 0.25 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1h38 h ALA 383 CO -0.00 0.35 0.54 0.28 0.00 0.00 0.00 179.25 180.43 1h38 h VAL 384 N -0.22 1.00 0.23 0.00 2.07 0.11 0.27 116.25 119.71 1h38 h VAL 384 Ca -0.10 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1h38 h VAL 384 Cb 1.43 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1h38 h VAL 384 CO 0.13 0.17 -0.11 0.22 0.02 0.00 0.00 177.57 178.00 1h38 h TYR 385 N 0.96 -0.29 -0.67 1.57 -0.00 -1.54 -2.23 116.97 114.77 1h38 h TYR 385 Ca 0.40 -0.01 0.10 0.00 -0.00 0.00 0.00 58.73 59.22 1h38 h TYR 385 Cb 0.26 0.10 -0.07 0.00 -0.00 0.00 0.00 36.73 37.01 1h38 h TYR 385 CO -0.03 -0.02 0.30 -0.09 -0.00 0.00 0.00 178.16 178.32 1h38 h ARG 386 N -0.55 0.50 -0.35 1.82 1.12 -1.04 -1.20 114.38 114.68 1h38 h ARG 386 Ca -0.03 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.82 1h38 h ARG 386 Cb 0.41 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 1h38 h ARG 386 CO 0.05 0.33 0.22 -0.22 -3.11 0.00 0.00 179.97 177.24 1h38 h LYS 387 N 0.51 0.44 -0.69 0.20 3.64 -0.37 -0.35 116.57 119.95 1h38 h LYS 387 Ca 0.34 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1h38 h LYS 387 Cb 0.40 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1h38 h LYS 387 CO -0.30 0.29 0.34 0.22 -2.27 0.00 0.00 179.45 177.74 1h38 h ASP 388 N 0.45 0.89 -0.63 4.20 3.58 -0.82 -0.40 116.42 123.69 1h38 h ASP 388 Ca 0.13 -0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.49 1h38 h ASP 388 Cb -0.03 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.75 1h38 h ASP 388 CO -0.05 0.76 0.38 0.50 -2.88 0.00 0.00 179.24 177.96 1h38 h LYS 389 N 0.96 0.72 -0.28 0.28 3.64 -0.71 -2.05 116.57 119.12 1h38 h LYS 389 Ca 0.24 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1h38 h LYS 389 Cb 0.10 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1h38 h LYS 389 CO -0.03 0.48 0.15 0.00 -2.27 0.00 0.00 179.45 177.78 1h38 h ALA 390 N 1.28 0.36 -0.18 5.00 0.00 -0.47 -1.64 119.26 123.60 1h38 h ALA 390 Ca 0.26 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1h38 h ALA 390 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1h38 h ALA 390 CO -0.11 -0.12 0.15 -0.09 0.00 0.00 0.00 179.25 179.08 1h38 h ARG 391 N 0.34 0.00 0.05 0.00 2.43 -0.72 0.17 114.38 116.64 1h38 h ARG 391 Ca 0.10 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 1h38 h ARG 391 Cb 0.06 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1h38 h ARG 391 CO -0.02 0.00 -0.51 0.87 -1.51 0.00 0.00 179.97 178.80 1h38 h LYS 392 N 0.00 0.26 -0.56 0.20 1.57 -0.71 -2.75 116.57 114.58 1h38 h LYS 392 Ca 0.09 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1h38 h LYS 392 Cb 0.39 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1h38 h LYS 392 CO -0.00 1.09 0.23 0.66 -0.57 0.00 0.00 179.45 180.86 1h38 h SER 393 N -0.40 0.77 -0.69 0.86 4.64 -0.57 -1.92 113.55 116.24 1h38 h SER 393 Ca -0.08 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1h38 h SER 393 Cb 1.31 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1h38 h SER 393 CO 0.10 0.72 0.37 0.03 -0.87 0.00 0.00 176.83 177.18 1h38 h ARG 394 N 0.77 0.99 -0.40 4.77 3.08 -0.80 -2.76 114.38 120.02 1h38 h ARG 394 Ca 0.19 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 1h38 h ARG 394 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1h38 h ARG 394 CO -0.02 0.74 -0.24 -0.09 -1.07 0.00 0.00 179.97 179.29 1h38 h ARG 395 N 0.99 0.81 -0.15 0.04 9.65 -1.13 -0.78 114.38 123.81 1h38 h ARG 395 Ca 0.25 -0.34 0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1h38 h ARG 395 Cb 0.06 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 1h38 h ARG 395 CO -0.04 0.97 -0.15 0.82 2.80 0.00 0.00 179.97 184.37 1h38 h ILE 396 N 0.70 0.59 -0.63 1.20 1.08 -1.08 -0.47 117.51 118.90 1h38 h ILE 396 Ca 0.09 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.57 1h38 h ILE 396 Cb 0.77 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 1h38 h ILE 396 CO 0.06 0.00 0.42 -1.28 -0.69 0.00 0.00 178.15 176.66 1h38 h SER 397 N -0.18 0.73 -0.23 1.72 0.87 -1.41 -1.61 113.55 113.44 1h38 h SER 397 Ca 0.10 -0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1h38 h SER 397 Cb 0.33 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 1h38 h SER 397 CO -0.26 0.53 -0.19 0.25 -0.53 0.00 0.00 176.83 176.62 1h38 h LEU 398 N 0.86 -0.63 -0.63 2.23 6.46 -0.60 -1.75 115.31 121.25 1h38 h LEU 398 Ca 0.23 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1h38 h LEU 398 Cb -0.10 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1h38 h LEU 398 CO -0.05 -0.24 0.27 -0.33 -0.62 0.00 0.00 178.44 177.47 1h38 h GLU 399 N -0.20 0.93 -0.23 1.25 5.08 -0.54 -1.45 114.58 119.42 1h38 h GLU 399 Ca 0.13 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1h38 h GLU 399 Cb 0.40 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1h38 h GLU 399 CO -0.35 0.77 0.12 0.35 -1.00 0.00 0.00 179.01 178.91 1h38 h PHE 400 N 0.88 0.32 -0.20 4.33 3.04 -0.93 -1.31 116.94 123.08 1h38 h PHE 400 Ca 0.21 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.18 1h38 h PHE 400 Cb 0.18 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 1h38 h PHE 400 CO 0.01 0.29 0.04 0.52 -2.02 0.00 0.00 178.31 177.15 1h38 h MET 401 N 0.26 0.11 -0.76 1.11 0.00 -1.02 0.71 114.93 115.34 1h38 h MET 401 Ca 0.08 -0.01 0.08 0.00 0.00 0.00 0.00 59.70 59.86 1h38 h MET 401 Cb 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 31.60 31.59 1h38 h MET 401 CO -0.01 0.07 0.42 -0.07 0.00 0.00 0.00 176.91 177.32 1h38 h LEU 402 N 0.11 0.60 0.11 1.22 3.38 -1.20 0.85 115.31 120.38 1h38 h LEU 402 Ca 0.09 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1h38 h LEU 402 Cb 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1h38 h LEU 402 CO -0.12 0.35 -0.05 -0.08 0.09 0.00 0.00 178.44 178.63 1h38 h GLU 403 N 0.72 -0.14 -0.99 1.13 4.81 -0.67 0.21 114.58 119.65 1h38 h GLU 403 Ca 0.36 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.69 1h38 h GLU 403 Cb 0.32 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 1h38 h GLU 403 CO -0.24 -0.05 0.63 0.37 -0.73 0.00 0.00 179.01 179.00 1h38 h GLN 404 N -0.20 1.04 0.79 1.92 5.75 0.47 -0.42 115.11 124.46 1h38 h GLN 404 Ca -0.02 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 1h38 h GLN 404 Cb 0.16 -0.24 0.01 0.00 1.07 0.00 0.00 27.48 28.48 1h38 h GLN 404 CO 0.02 0.69 -0.38 0.00 -2.65 0.00 0.00 178.83 176.52 1h38 h ALA 405 N 1.49 -1.06 -0.88 3.38 0.00 0.12 -2.97 119.26 119.34 1h38 h ALA 405 Ca 0.46 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1h38 h ALA 405 Cb 0.31 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1h38 h ALA 405 CO -0.22 -1.05 0.57 -0.91 0.00 0.00 0.00 179.25 177.64 1h38 h ASN 406 N -1.14 0.71 -0.92 0.00 2.35 -0.69 -0.00 115.58 115.88 1h38 h ASN 406 Ca -0.11 0.03 0.12 0.00 -0.55 0.00 0.00 56.30 55.80 1h38 h ASN 406 Cb 0.82 -0.11 -0.09 0.00 0.05 0.00 0.00 38.32 39.00 1h38 h ASN 406 CO 0.18 0.39 0.54 0.50 -1.65 0.00 0.00 177.43 177.38 1h38 h LYS 407 N 0.76 0.81 -0.50 0.81 3.64 -0.94 -2.12 116.57 119.03 1h38 h LYS 407 Ca 0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1h38 h LYS 407 Cb 0.58 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1h38 h LYS 407 CO -0.19 0.53 0.00 1.19 -2.27 0.00 0.00 179.45 178.71 1h38 n PHE 408 N -4.73 0.89 -0.31 1.91 3.72 -0.19 -4.60 117.46 114.15 1h38 n PHE 408 Ca 0.17 -0.58 0.33 0.00 -0.05 0.00 0.00 57.45 57.33 1h38 n PHE 408 Cb 0.37 -0.11 0.72 0.00 -0.94 0.00 0.00 39.48 39.52 1h38 n PHE 408 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h38 h ALA 409 N 3.00 3.01 -0.06 4.37 0.00 -0.36 -1.88 119.26 127.34 1h38 h ALA 409 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1h38 h ALA 409 Cb 1.06 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1h38 h ALA 409 CO 0.09 -1.35 0.00 0.09 0.00 0.00 0.00 179.25 178.07 1h38 n ASN 410 N -4.24 2.28 -4.78 0.00 5.03 -1.26 -4.79 115.26 107.50 1h38 n ASN 410 Ca 0.25 -1.63 -0.35 0.00 0.87 0.00 0.00 54.58 53.73 1h38 n ASN 410 Cb 1.19 -0.03 -0.01 0.00 -1.02 0.00 0.00 39.78 39.91 1h38 n ASN 410 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1h38 s HIS 411 N -1.16 2.78 -0.84 3.10 3.76 -0.71 -4.87 115.29 117.35 1h38 s HIS 411 Ca 0.18 1.55 0.21 0.00 -0.15 0.00 0.00 55.06 56.85 1h38 s HIS 411 Cb 0.12 -3.21 0.84 0.00 1.11 0.00 0.00 32.58 31.45 1h38 s HIS 411 CO 0.18 -1.32 1.64 1.63 -0.85 0.00 0.00 174.74 176.02 1h38 n LYS 412 N -1.22 0.07 0.00 1.40 4.76 -1.26 -4.79 118.16 117.12 1h38 n LYS 412 Ca 0.11 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1h38 n LYS 412 Cb 0.51 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1h38 n LYS 412 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1h38 n ALA 413 N -1.60 0.00 -2.44 7.82 0.00 -1.26 -4.88 120.51 118.14 1h38 n ALA 413 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1h38 n ALA 413 Cb 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.59 1h38 n ALA 413 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1h38 s ILE 414 N -1.87 0.52 0.22 0.00 -4.36 0.12 -4.78 121.20 111.04 1h38 s ILE 414 Ca 0.00 -1.56 0.06 0.00 -0.26 0.00 0.00 60.65 58.89 1h38 s ILE 414 Cb 0.00 -1.20 -0.05 0.00 1.25 0.00 0.00 42.46 42.46 1h38 s ILE 414 CO 0.00 -0.71 -0.08 0.26 0.24 0.00 0.00 174.94 174.65 1h38 s TRP 415 N -2.78 1.64 -0.09 1.37 0.51 -0.26 -0.62 118.94 118.70 1h38 s TRP 415 Ca 0.02 -0.73 0.01 0.00 -2.12 0.00 0.00 56.10 53.28 1h38 s TRP 415 Cb -0.00 -0.87 0.02 0.00 -0.81 0.00 0.00 33.47 31.80 1h38 s TRP 415 CO -0.04 0.18 -0.12 -0.06 -0.51 0.00 0.00 176.95 176.41 1h38 s PHE 416 N -3.17 1.57 0.69 -1.98 0.08 -1.26 -0.02 117.98 113.88 1h38 s PHE 416 Ca 0.24 -0.67 -0.14 0.00 0.12 0.00 0.00 56.93 56.49 1h38 s PHE 416 Cb 0.03 -1.18 0.01 0.00 -0.57 0.00 0.00 43.02 41.31 1h38 s PHE 416 CO 0.07 -0.38 1.10 -1.25 -0.10 0.00 0.00 175.22 174.66 1h38 s PRO 417 N 1.01 2.70 0.03 0.24 0.04 -1.26 -4.58 135.00 133.18 1h38 s PRO 417 Ca -0.08 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.29 1h38 s PRO 417 Cb -0.15 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1h38 s PRO 417 CO -0.01 -1.32 -0.13 0.71 0.04 0.00 0.00 177.00 176.30 1h38 s TYR 418 N -2.55 1.12 0.14 0.56 1.51 -1.26 -0.69 117.35 116.18 1h38 s TYR 418 Ca 0.64 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.37 1h38 s TYR 418 Cb -0.19 -0.67 -0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1h38 s TYR 418 CO 0.46 0.02 0.01 0.09 -1.11 0.00 0.00 175.55 175.02 1h38 n ASN 419 N 2.00 2.11 -3.89 2.29 5.03 -0.71 -4.91 115.26 117.18 1h38 n ASN 419 Ca -0.18 -1.64 -0.11 0.00 0.87 0.00 0.00 54.58 53.52 1h38 n ASN 419 Cb 0.55 0.15 -0.12 0.00 -1.02 0.00 0.00 39.78 39.33 1h38 n ASN 419 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1h38 s MET 420 N -2.51 0.18 0.87 3.52 -1.94 -1.02 -1.13 119.30 117.27 1h38 s MET 420 Ca 0.01 -0.16 -0.11 0.00 -1.71 0.00 0.00 55.69 53.73 1h38 s MET 420 Cb 0.00 0.07 0.16 0.00 2.01 0.00 0.00 34.83 37.08 1h38 s MET 420 CO 0.01 -0.03 1.21 0.16 -0.01 0.00 0.00 175.02 176.35 1h38 s ASP 421 N -0.52 3.63 0.07 3.03 1.47 -0.49 -0.71 116.67 123.15 1h38 s ASP 421 Ca -0.06 0.14 0.04 0.00 1.18 0.00 0.00 52.55 53.85 1h38 s ASP 421 Cb -0.04 -0.33 0.23 0.00 -0.34 0.00 0.00 42.92 42.44 1h38 s ASP 421 CO -0.00 -2.38 1.08 -2.67 0.68 0.00 0.00 175.17 171.87 1h38 n TRP 422 N -3.44 0.14 0.92 2.11 2.14 -1.23 -0.61 117.44 117.48 1h38 n TRP 422 Ca 0.14 0.07 0.10 0.00 2.07 0.00 0.00 57.50 59.89 1h38 n TRP 422 Cb 0.60 -0.56 -0.01 0.00 -0.81 0.00 0.00 31.31 30.53 1h38 n TRP 422 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1h38 n ARG 423 N -1.61 1.33 0.00 -2.67 3.00 -1.26 -4.59 116.66 110.86 1h38 n ARG 423 Ca -0.00 -0.93 0.00 0.00 -0.01 0.00 0.00 57.85 56.91 1h38 n ARG 423 Cb 0.07 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.11 1h38 n ARG 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h38 n GLY 424 N 1.35 0.58 3.76 -0.13 0.00 0.22 -4.08 105.19 106.89 1h38 n GLY 424 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1h38 n GLY 424 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h38 s ARG 425 N -0.74 4.52 -0.17 1.61 0.52 -1.26 -4.73 118.95 118.71 1h38 s ARG 425 Ca 0.00 1.94 -0.25 0.00 -0.52 0.00 0.00 55.73 56.89 1h38 s ARG 425 Cb 0.00 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 1h38 s ARG 425 CO 0.00 0.02 0.83 0.08 0.02 0.00 0.00 175.30 176.25 1h38 s VAL 426 N -0.82 4.88 -0.02 3.52 1.01 -1.26 -1.39 120.40 126.32 1h38 s VAL 426 Ca 0.48 1.64 0.06 0.00 0.00 0.00 0.00 61.98 64.16 1h38 s VAL 426 Cb -0.34 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1h38 s VAL 426 CO 0.43 0.03 -0.21 -0.31 0.00 0.00 0.00 175.10 175.04 1h38 s TYR 427 N 2.12 1.89 0.44 5.22 1.51 -0.28 -4.75 117.35 123.50 1h38 s TYR 427 Ca 0.38 -0.37 -0.23 0.00 -1.01 0.00 0.00 57.07 55.85 1h38 s TYR 427 Cb -0.17 -1.22 -0.08 0.00 -0.11 0.00 0.00 41.96 40.38 1h38 s TYR 427 CO 0.13 -0.04 1.10 0.00 -1.11 0.00 0.00 175.55 175.62 1h38 s ALA 428 N -0.46 2.99 -0.07 3.71 0.00 -1.26 -1.74 121.76 124.92 1h38 s ALA 428 Ca 0.07 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 1h38 s ALA 428 Cb -0.08 -3.32 -0.29 0.00 0.00 0.00 0.00 23.12 19.43 1h38 s ALA 428 CO -0.01 -0.43 0.59 0.28 0.00 0.00 0.00 175.76 176.19 1h38 h VAL 429 N 1.92 0.90 -3.51 0.00 2.07 -1.23 -3.47 116.25 112.93 1h38 h VAL 429 Ca -0.49 -2.46 -0.53 0.00 0.82 0.00 0.00 66.70 64.05 1h38 h VAL 429 Cb 1.23 2.71 0.07 0.00 -1.52 0.00 0.00 31.29 33.78 1h38 h VAL 429 CO 0.61 0.83 0.79 -0.94 0.02 0.00 0.00 177.57 178.89 1h38 s SER 430 N -7.20 6.52 0.30 0.57 1.04 -1.26 -4.83 113.70 108.83 1h38 s SER 430 Ca -0.18 2.83 0.03 0.00 0.48 0.00 0.00 55.95 59.11 1h38 s SER 430 Cb 0.05 -2.64 0.76 0.00 0.10 0.00 0.00 66.02 64.30 1h38 s SER 430 CO 0.82 -0.78 1.61 0.24 0.98 0.00 0.00 173.24 176.11 1h38 h MET 431 N 4.46 0.10 -5.19 4.02 0.00 -1.63 -3.26 114.93 113.43 1h38 h MET 431 Ca -0.47 -0.01 -0.67 0.00 0.00 0.00 0.00 59.70 58.55 1h38 h MET 431 Cb 1.22 -0.02 -0.16 0.00 0.00 0.00 0.00 31.60 32.64 1h38 h MET 431 CO 0.75 0.07 -0.02 0.12 0.00 0.00 0.00 176.91 177.83 1h38 s PHE 432 N -5.94 3.12 0.21 -0.22 5.36 -1.26 -5.02 117.98 114.22 1h38 s PHE 432 Ca -0.12 -0.14 -0.10 0.00 -0.96 0.00 0.00 56.93 55.60 1h38 s PHE 432 Cb 0.27 -3.13 -0.01 0.00 -0.34 0.00 0.00 43.02 39.82 1h38 s PHE 432 CO 0.77 -0.77 0.37 0.54 -1.46 0.00 0.00 175.22 174.68 1h38 s ASN 433 N 1.90 -0.03 0.29 6.13 2.20 -1.23 -4.68 114.94 119.51 1h38 s ASN 433 Ca 0.18 -0.92 0.20 0.00 -0.94 0.00 0.00 52.86 51.38 1h38 s ASN 433 Cb -0.15 0.50 1.06 0.00 -2.00 0.00 0.00 41.25 40.67 1h38 s ASN 433 CO 0.16 -1.00 1.62 -2.65 -2.94 0.00 0.00 177.10 172.29 1h38 n PRO 434 N -0.30 0.13 -0.82 3.55 -0.02 -1.26 -2.39 135.00 133.89 1h38 n PRO 434 Ca -0.04 0.60 -0.16 0.00 -2.02 0.00 0.00 63.50 61.88 1h38 n PRO 434 Cb 0.63 -1.91 0.11 0.00 -0.02 0.00 0.00 33.50 32.31 1h38 n PRO 434 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1h38 n GLN 435 N -2.20 1.84 0.00 -0.52 6.02 -1.26 -4.75 117.38 116.51 1h38 n GLN 435 Ca -0.01 -1.99 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 1h38 n GLN 435 Cb 0.05 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.53 1h38 n GLN 435 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h38 n GLY 436 N -0.55 1.18 0.00 1.08 0.00 -1.01 -5.09 105.19 100.81 1h38 n GLY 436 Ca 0.40 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1h38 n GLY 436 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h38 n ASN 437 N 0.00 0.86 -0.06 1.61 2.04 -1.26 -4.78 115.26 113.67 1h38 n ASN 437 Ca 0.00 -0.97 -0.07 0.00 -0.44 0.00 0.00 54.58 53.10 1h38 n ASN 437 Cb 0.00 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.24 1h38 n ASN 437 CO 0.00 0.00 0.00 -0.78 -0.44 0.00 0.00 177.26 176.04 1h38 h ASP 438 N 0.00 -0.34 -0.04 0.53 3.58 -1.98 0.35 116.42 118.52 1h38 h ASP 438 Ca 0.00 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1h38 h ASP 438 Cb 0.00 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1h38 h ASP 438 CO 0.00 -0.13 0.01 -0.03 -2.88 0.00 0.00 179.24 176.21 1h38 h MET 439 N -0.05 0.07 -0.05 0.28 4.05 -1.96 0.48 114.93 117.73 1h38 h MET 439 Ca 0.13 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1h38 h MET 439 Cb 0.25 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.98 1h38 h MET 439 CO -0.29 0.31 -0.38 1.15 0.23 0.00 0.00 176.91 177.93 1h38 h THR 440 N -0.19 0.21 -0.71 -0.77 2.02 -1.86 0.34 112.91 111.96 1h38 h THR 440 Ca 0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.25 1h38 h THR 440 Cb 0.27 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.83 1h38 h THR 440 CO 0.00 0.00 0.40 0.11 0.37 0.00 0.00 175.52 176.40 1h38 h LYS 441 N -0.50 0.71 -0.58 6.66 1.57 -0.16 -0.76 116.57 123.51 1h38 h LYS 441 Ca 0.07 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1h38 h LYS 441 Cb 0.61 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1h38 h LYS 441 CO -0.33 0.47 0.39 0.78 -0.57 0.00 0.00 179.45 180.19 1h38 h GLY 442 N 0.73 0.80 2.00 3.86 0.00 0.95 -1.20 103.07 110.21 1h38 h GLY 442 Ca 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1h38 h GLY 442 CO -0.19 0.27 0.00 1.04 0.00 0.00 0.00 176.54 177.66 1h38 n LEU 443 N -4.46 0.41 -4.74 3.11 4.77 0.11 -4.63 117.00 111.58 1h38 n LEU 443 Ca 0.06 0.56 -0.32 0.00 -0.03 0.00 0.00 56.01 56.29 1h38 n LEU 443 Cb 0.09 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 1h38 n LEU 443 CO 0.35 -0.24 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.13 1h38 s LEU 444 N -3.83 3.69 0.10 2.23 1.43 -0.46 0.82 118.68 122.67 1h38 s LEU 444 Ca 0.09 0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 1h38 s LEU 444 Cb 0.13 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 44.16 1h38 s LEU 444 CO 0.47 0.23 0.52 0.28 0.23 0.00 0.00 176.35 178.08 1h38 s THR 445 N -1.24 0.03 0.43 5.49 -1.32 -0.43 -4.71 115.64 113.89 1h38 s THR 445 Ca 0.24 -0.24 -0.24 0.00 -1.21 0.00 0.00 61.69 60.24 1h38 s THR 445 Cb -0.12 -1.04 -0.08 0.00 -1.51 0.00 0.00 72.50 69.75 1h38 s THR 445 CO 0.16 -0.13 1.14 -0.76 -2.21 0.00 0.00 174.62 172.82 1h38 s LEU 446 N -2.44 4.09 0.00 9.08 1.43 -1.09 -0.19 118.68 129.57 1h38 s LEU 446 Ca -0.01 2.27 -0.19 0.00 -1.03 0.00 0.00 54.13 55.16 1h38 s LEU 446 Cb -0.00 -4.16 -0.25 0.00 0.03 0.00 0.00 46.19 41.81 1h38 s LEU 446 CO -0.08 -0.76 1.08 0.00 0.23 0.00 0.00 176.35 176.82 1h38 h ALA 447 N 2.32 0.05 -2.44 4.21 0.00 -1.35 -3.43 119.26 118.62 1h38 h ALA 447 Ca -0.49 -0.61 -0.74 0.00 0.00 0.00 0.00 54.91 53.07 1h38 h ALA 447 Cb 1.24 0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.80 1h38 h ALA 447 CO 0.61 0.40 -0.28 0.15 0.00 0.00 0.00 179.25 180.13 1h38 s LYS 448 N -3.09 2.78 0.45 0.00 1.02 -1.26 -5.02 119.74 114.62 1h38 s LYS 448 Ca -0.13 -1.83 0.06 0.00 0.02 0.00 0.00 55.97 54.09 1h38 s LYS 448 Cb 0.03 -4.12 0.08 0.00 -0.52 0.00 0.00 37.83 33.31 1h38 s LYS 448 CO 0.84 -1.26 0.62 0.41 -0.92 0.00 0.00 175.35 175.04 1h38 n GLY 449 N 4.92 1.73 3.25 -3.33 0.00 -1.26 -4.92 105.19 105.57 1h38 n GLY 449 Ca -0.08 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 1h38 n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h38 s LYS 450 N -4.04 1.16 0.13 1.61 1.02 -0.76 -4.84 119.74 114.02 1h38 s LYS 450 Ca 0.46 -1.48 -0.31 0.00 0.02 0.00 0.00 55.97 54.66 1h38 s LYS 450 Cb -0.03 0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 37.47 1h38 s LYS 450 CO 0.29 -0.39 1.79 -2.14 -0.92 0.00 0.00 175.35 173.99 1h38 s PRO 451 N -4.09 4.14 0.12 -1.68 0.02 -1.26 -1.40 135.00 130.85 1h38 s PRO 451 Ca 0.30 2.56 -0.20 0.00 0.02 0.00 0.00 61.00 63.68 1h38 s PRO 451 Cb 0.06 -3.51 -0.05 0.00 0.02 0.00 0.00 34.50 31.02 1h38 s PRO 451 CO 0.07 -0.81 1.71 0.97 -0.33 0.00 0.00 177.00 178.61 1h38 h ILE 452 N 4.56 0.84 -1.02 2.83 2.10 -0.98 -3.43 117.51 122.40 1h38 h ILE 452 Ca -0.45 -0.00 0.11 0.00 1.08 0.00 0.00 64.86 65.60 1h38 h ILE 452 Cb 1.21 0.83 -0.05 0.00 -1.09 0.00 0.00 36.82 37.73 1h38 h ILE 452 CO 0.95 0.00 -0.28 0.61 -1.08 0.00 0.00 178.15 178.34 1h38 n GLY 453 N -1.18 -2.22 0.17 8.18 0.00 0.31 -3.22 105.19 107.23 1h38 n GLY 453 Ca -0.03 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 1h38 n GLY 453 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1h38 h LYS 454 N -0.42 -0.24 -0.04 1.61 3.64 -1.95 -1.45 116.57 117.73 1h38 h LYS 454 Ca -0.03 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1h38 h LYS 454 Cb 0.41 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1h38 h LYS 454 CO 0.02 -0.16 -0.04 1.49 -2.27 0.00 0.00 179.45 178.49 1h38 h GLU 455 N -0.25 -0.05 -0.58 1.90 4.57 -1.97 -1.34 114.58 116.85 1h38 h GLU 455 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1h38 h GLU 455 Cb 0.26 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 1h38 h GLU 455 CO -0.07 -0.04 0.38 0.78 -1.18 0.00 0.00 179.01 178.88 1h38 h GLY 456 N -0.06 0.82 0.86 1.92 0.00 -1.51 -0.36 103.07 104.75 1h38 h GLY 456 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1h38 h GLY 456 CO -0.07 0.30 0.06 -1.82 0.00 0.00 0.00 176.54 175.01 1h38 h TYR 457 N 0.79 0.29 -0.42 5.60 3.20 -0.82 0.27 116.97 125.88 1h38 h TYR 457 Ca 0.21 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.14 1h38 h TYR 457 Cb -0.08 -0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.02 1h38 h TYR 457 CO 0.00 0.38 -0.16 -0.92 -1.64 0.00 0.00 178.16 175.82 1h38 h TYR 458 N 0.12 -0.39 -0.38 -3.82 3.20 -0.29 -0.98 116.97 114.43 1h38 h TYR 458 Ca 0.06 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1h38 h TYR 458 Cb 0.22 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1h38 h TYR 458 CO -0.00 -0.24 -0.15 -1.49 -1.64 0.00 0.00 178.16 174.63 1h38 h TRP 459 N -0.08 0.76 -0.70 -3.82 4.06 -0.62 -2.30 115.95 113.26 1h38 h TRP 459 Ca 0.20 -0.14 0.09 0.00 2.06 0.00 0.00 58.89 61.10 1h38 h TRP 459 Cb 0.39 -0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 28.29 1h38 h TRP 459 CO -0.41 0.80 0.35 1.25 -3.56 0.00 0.00 178.44 176.86 1h38 h LEU 460 N 0.62 0.46 -0.72 -4.49 5.85 0.53 -1.32 115.31 116.24 1h38 h LEU 460 Ca 0.10 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1h38 h LEU 460 Cb 0.61 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1h38 h LEU 460 CO 0.04 0.27 -0.14 0.11 -0.34 0.00 0.00 178.44 178.37 1h38 h LYS 461 N 0.60 0.83 -0.00 1.25 1.57 -0.93 -1.21 116.57 118.69 1h38 h LYS 461 Ca 0.34 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1h38 h LYS 461 Cb 0.35 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1h38 h LYS 461 CO -0.26 0.93 -0.25 0.82 -0.57 0.00 0.00 179.45 180.11 1h38 h ILE 462 N 0.74 0.42 -1.00 1.86 1.08 -0.72 0.10 117.51 119.99 1h38 h ILE 462 Ca 0.12 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.77 1h38 h ILE 462 Cb 0.65 0.42 -0.10 0.00 -3.07 0.00 0.00 36.82 34.72 1h38 h ILE 462 CO 0.05 0.00 0.61 -0.74 -0.69 0.00 0.00 178.15 177.38 1h38 h HIS 463 N -0.39 1.06 -0.00 1.37 2.76 -1.13 0.28 115.15 119.10 1h38 h HIS 463 Ca 0.06 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1h38 h HIS 463 Cb 0.48 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1h38 h HIS 463 CO -0.29 0.25 -0.04 0.78 -1.30 0.00 0.00 177.93 177.32 1h38 h GLY 464 N 0.77 -0.04 0.33 5.26 0.00 0.33 0.10 103.07 109.82 1h38 h GLY 464 Ca 0.57 0.05 0.10 0.00 0.00 0.00 0.00 47.33 48.05 1h38 h GLY 464 CO -0.37 -0.05 0.19 0.00 0.00 0.00 0.00 176.54 176.31 1h38 h ALA 465 N 0.92 0.74 -0.06 3.60 0.00 0.10 -1.38 119.26 123.18 1h38 h ALA 465 Ca 0.02 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1h38 h ALA 465 Cb 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1h38 h ALA 465 CO -0.05 -0.24 -0.02 -0.91 0.00 0.00 0.00 179.25 178.03 1h38 h ASN 466 N 0.35 -0.08 0.15 0.00 2.35 -0.50 -0.32 115.58 117.53 1h38 h ASN 466 Ca 0.30 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1h38 h ASN 466 Cb 0.40 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1h38 h ASN 466 CO -0.33 -0.03 -0.02 0.00 -1.65 0.00 0.00 177.43 175.40 1h38 n ALA 468 N -2.19 3.02 -0.12 0.00 0.00 -0.57 -1.54 120.51 119.10 1h38 n ALA 468 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1h38 n ALA 468 Cb 0.12 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1h38 n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h38 n GLY 469 N 1.40 0.76 2.72 0.00 0.00 -0.01 -4.05 105.19 106.01 1h38 n GLY 469 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1h38 n GLY 469 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h38 n VAL 470 N -2.06 5.44 0.03 1.61 0.31 -0.24 -4.52 118.33 118.90 1h38 n VAL 470 Ca 0.00 -5.30 0.02 0.00 -0.01 0.00 0.00 64.34 59.05 1h38 n VAL 470 Cb 0.00 -1.93 0.03 0.00 -0.91 0.00 0.00 33.84 31.03 1h38 n VAL 470 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1h38 n ASP 471 N 1.33 1.84 -2.14 4.52 5.68 -1.26 -4.16 116.55 122.35 1h38 n ASP 471 Ca 0.45 -1.62 -0.28 0.00 -0.50 0.00 0.00 54.79 52.84 1h38 n ASP 471 Cb 0.29 -0.04 0.04 0.00 -1.14 0.00 0.00 41.12 40.27 1h38 n ASP 471 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1h38 n LYS 472 N -0.03 3.27 -3.78 0.11 5.02 -1.26 -4.97 118.16 116.52 1h38 n LYS 472 Ca 0.03 -3.84 -0.13 0.00 -2.02 0.00 0.00 58.31 52.35 1h38 n LYS 472 Cb 0.21 -2.28 -0.09 0.00 -0.02 0.00 0.00 35.03 32.84 1h38 n LYS 472 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h38 s VAL 473 N -4.69 0.06 0.79 -0.18 1.01 -1.26 -4.66 120.40 111.47 1h38 s VAL 473 Ca 0.56 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1h38 s VAL 473 Cb 0.45 -0.57 0.07 0.00 0.00 0.00 0.00 36.38 36.33 1h38 s VAL 473 CO 0.02 -0.26 1.15 -2.16 0.00 0.00 0.00 175.10 173.86 1h38 s PRO 474 N -1.22 1.86 0.21 2.72 0.04 -1.26 -4.74 135.00 132.61 1h38 s PRO 474 Ca -0.13 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.33 1h38 s PRO 474 Cb -0.05 -1.82 0.27 0.00 0.04 0.00 0.00 34.50 32.93 1h38 s PRO 474 CO 0.04 -2.00 1.65 0.74 0.04 0.00 0.00 177.00 177.46 1h38 h PHE 475 N -0.94 -0.17 -0.28 0.56 0.04 -1.98 -0.34 116.94 113.84 1h38 h PHE 475 Ca -0.45 0.05 0.08 0.00 2.80 0.00 0.00 57.97 60.45 1h38 h PHE 475 Cb 1.27 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.58 1h38 h PHE 475 CO 0.51 -0.21 0.20 -1.00 -0.60 0.00 0.00 178.31 177.20 1h38 h PRO 476 N 0.06 0.01 0.00 1.51 0.13 -1.99 0.61 132.00 132.32 1h38 h PRO 476 Ca 0.31 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.36 1h38 h PRO 476 Cb 0.50 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1h38 h PRO 476 CO -0.58 0.00 -0.36 0.93 -0.23 0.00 0.00 178.00 177.76 1h38 h GLU 477 N 0.01 0.00 -0.14 0.86 3.07 -1.40 -1.57 114.58 115.41 1h38 h GLU 477 Ca 0.13 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.84 1h38 h GLU 477 Cb 0.52 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1h38 h GLU 477 CO -0.00 0.36 -0.50 0.00 -1.40 0.00 0.00 179.01 177.48 1h38 h ARG 478 N 0.00 0.58 -0.55 2.33 3.08 0.44 -1.45 114.38 118.82 1h38 h ARG 478 Ca -0.00 -0.44 -0.10 0.00 0.07 0.00 0.00 59.98 59.50 1h38 h ARG 478 Cb 0.93 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1h38 h ARG 478 CO 0.05 1.06 -0.06 0.82 -1.07 0.00 0.00 179.97 180.77 1h38 h ILE 479 N 0.22 1.27 -0.72 2.04 1.08 -0.89 -2.69 117.51 117.83 1h38 h ILE 479 Ca -0.02 -1.20 -0.01 0.00 -0.39 0.00 0.00 64.86 63.23 1h38 h ILE 479 Cb 1.12 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 35.78 1h38 h ILE 479 CO 0.10 0.43 0.39 0.50 -0.69 0.00 0.00 178.15 178.88 1h38 h LYS 480 N 0.88 1.01 -0.59 2.37 1.63 -1.21 -1.05 116.57 119.61 1h38 h LYS 480 Ca 0.15 -0.12 0.07 0.00 -0.85 0.00 0.00 60.65 59.90 1h38 h LYS 480 Cb 0.62 -0.20 -0.06 0.00 -0.60 0.00 0.00 32.23 31.99 1h38 h LYS 480 CO 0.04 0.75 0.26 0.35 -3.45 0.00 0.00 179.45 177.40 1h38 h PHE 481 N 0.99 0.47 -0.34 1.91 3.57 -0.99 0.29 116.94 122.84 1h38 h PHE 481 Ca 0.25 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1h38 h PHE 481 Cb 0.04 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1h38 h PHE 481 CO -0.00 0.18 0.05 0.82 -2.23 0.00 0.00 178.31 177.12 1h38 h ILE 482 N 0.48 1.24 -0.55 1.41 1.08 -1.13 -2.71 117.51 117.33 1h38 h ILE 482 Ca 0.28 -0.84 -0.10 0.00 -0.39 0.00 0.00 64.86 63.81 1h38 h ILE 482 Cb 0.27 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 1h38 h ILE 482 CO -0.24 0.28 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.12 1h38 h GLU 483 N 0.39 0.99 0.00 2.37 5.08 -0.66 -1.76 114.58 120.99 1h38 h GLU 483 Ca 0.10 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1h38 h GLU 483 Cb 0.36 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1h38 h GLU 483 CO 0.01 1.00 -0.01 0.93 -1.00 0.00 0.00 179.01 179.94 1h38 h GLU 484 N 0.89 0.00 -0.28 2.33 5.08 -0.86 -2.05 114.58 119.69 1h38 h GLU 484 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1h38 h GLU 484 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1h38 h GLU 484 CO 0.04 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 1h38 n ASN 485 N -3.12 3.75 -0.31 1.42 4.13 -0.76 -4.67 115.26 115.71 1h38 n ASN 485 Ca -0.01 -2.83 0.10 0.00 1.68 0.00 0.00 54.58 53.51 1h38 n ASN 485 Cb 0.21 -0.49 0.22 0.00 -1.54 0.00 0.00 39.78 38.17 1h38 n ASN 485 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1h38 h HIS 486 N 1.89 -0.10 -0.18 3.10 2.76 -0.59 -0.32 115.15 121.72 1h38 h HIS 486 Ca 0.00 0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1h38 h HIS 486 Cb 1.33 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.46 1h38 h HIS 486 CO 0.46 -0.35 0.01 0.93 -1.30 0.00 0.00 177.93 177.69 1h38 h GLU 487 N 0.05 0.30 -0.82 5.26 4.39 -1.84 -2.08 114.58 119.84 1h38 h GLU 487 Ca 0.51 -0.09 0.11 0.00 0.34 0.00 0.00 59.36 60.23 1h38 h GLU 487 Cb 0.96 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.52 1h38 h GLU 487 CO -0.82 0.50 0.53 -0.91 -1.16 0.00 0.00 179.01 177.15 1h38 h ASN 488 N 0.07 0.65 0.24 1.42 4.21 -1.53 -0.96 115.58 119.68 1h38 h ASN 488 Ca 0.05 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.57 1h38 h ASN 488 Cb 0.35 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1h38 h ASN 488 CO 0.01 0.37 -0.12 0.40 -1.29 0.00 0.00 177.43 176.80 1h38 h ILE 489 N 0.72 0.74 -0.97 2.81 2.04 -0.92 -1.65 117.51 120.28 1h38 h ILE 489 Ca 0.39 -0.85 0.15 0.00 1.00 0.00 0.00 64.86 65.55 1h38 h ILE 489 Cb 0.53 1.16 -0.09 0.00 -0.74 0.00 0.00 36.82 37.67 1h38 h ILE 489 CO -0.16 0.16 0.58 0.24 0.00 0.00 0.00 178.15 178.98 1h38 h MET 490 N -0.82 0.81 0.21 2.37 2.86 -1.19 0.33 114.93 119.50 1h38 h MET 490 Ca -0.03 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1h38 h MET 490 Cb 0.51 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1h38 h MET 490 CO 0.05 0.54 -0.23 0.00 1.06 0.00 0.00 176.91 178.33 1h38 h ALA 491 N 1.58 -0.46 0.00 6.32 0.00 -1.07 0.90 119.26 126.53 1h38 h ALA 491 Ca 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1h38 h ALA 491 Cb 0.67 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1h38 h ALA 491 CO -0.33 -0.79 -0.07 0.00 0.00 0.00 0.00 179.25 178.07 1h38 h ALA 493 N 1.93 -0.12 0.01 0.00 0.00 -0.20 -2.85 119.26 118.04 1h38 h ALA 493 Ca -0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1h38 h ALA 493 Cb 0.16 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1h38 h ALA 493 CO 0.01 0.50 -0.01 -0.22 0.00 0.00 0.00 179.25 179.54 1h38 h LYS 494 N -0.15 -0.02 -2.08 0.00 1.63 -0.49 -3.39 116.57 112.06 1h38 h LYS 494 Ca -0.19 0.00 -0.48 0.00 -0.85 0.00 0.00 60.65 59.13 1h38 h LYS 494 Cb 1.85 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 33.15 1h38 h LYS 494 CO 0.20 0.02 -0.85 -1.54 -3.45 0.00 0.00 179.45 173.83 1h38 s SER 495 N -5.20 0.97 0.27 4.20 1.04 -0.48 -5.01 113.70 109.48 1h38 s SER 495 Ca -0.13 -2.60 -0.01 0.00 0.48 0.00 0.00 55.95 53.69 1h38 s SER 495 Cb 0.06 0.11 0.47 0.00 0.10 0.00 0.00 66.02 66.75 1h38 s SER 495 CO 0.66 -0.17 1.84 1.55 0.98 0.00 0.00 173.24 178.10 1h38 h PRO 496 N 5.77 0.95 0.00 4.02 0.13 -1.69 -1.39 132.00 139.79 1h38 h PRO 496 Ca 0.19 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1h38 h PRO 496 Cb 0.97 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1h38 h PRO 496 CO 0.28 0.63 0.00 1.28 -0.23 0.00 0.00 178.00 179.95 1h38 n LEU 497 N -4.63 0.00 -0.00 1.56 4.77 -1.26 -3.16 117.00 114.28 1h38 n LEU 497 Ca 0.16 0.44 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 1h38 n LEU 497 Cb 0.29 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.81 1h38 n LEU 497 CO 0.28 -0.06 -0.43 -0.62 -1.33 0.00 0.00 177.39 175.24 1h38 n GLU 498 N -1.44 0.82 -4.00 3.23 1.02 -0.57 -4.85 120.64 114.84 1h38 n GLU 498 Ca 0.08 -0.10 -0.31 0.00 -0.02 0.00 0.00 57.16 56.81 1h38 n GLU 498 Cb 0.27 -1.39 -0.16 0.00 -0.02 0.00 0.00 31.44 30.15 1h38 n GLU 498 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1h38 s ASN 499 N -3.48 3.61 0.00 1.62 0.01 -0.88 -4.99 114.94 110.82 1h38 s ASN 499 Ca -0.01 -1.00 0.28 0.00 -0.71 0.00 0.00 52.86 51.42 1h38 s ASN 499 Cb 0.12 -1.28 1.05 0.00 0.41 0.00 0.00 41.25 41.55 1h38 s ASN 499 CO 0.74 -0.16 1.74 0.35 -1.51 0.00 0.00 177.10 178.27 1h38 n THR 500 N 4.64 0.00 -0.31 1.60 -2.24 -1.26 -4.33 114.28 112.38 1h38 n THR 500 Ca -0.14 -0.17 0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1h38 n THR 500 Cb 0.46 0.31 0.24 0.00 -2.10 0.00 0.00 70.33 69.23 1h38 n THR 500 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1h38 h TRP 501 N 1.58 -0.03 -0.28 4.78 7.01 -1.94 0.17 115.95 127.24 1h38 h TRP 501 Ca 0.00 0.06 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1h38 h TRP 501 Cb 0.44 0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.64 1h38 h TRP 501 CO 0.00 -0.34 0.02 0.11 -2.79 0.00 0.00 178.44 175.44 1h38 h TRP 502 N 0.06 0.43 0.00 2.65 5.08 -1.93 -0.38 115.95 121.86 1h38 h TRP 502 Ca 0.52 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.46 1h38 h TRP 502 Cb 1.02 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.05 1h38 h TRP 502 CO -0.46 0.42 0.00 0.00 -1.28 0.00 0.00 178.44 177.12 1h38 n ALA 503 N -2.48 2.07 1.31 0.11 0.00 0.56 -2.66 120.51 119.42 1h38 n ALA 503 Ca 0.01 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1h38 n ALA 503 Cb 0.21 -1.36 0.38 0.00 0.00 0.00 0.00 19.45 18.68 1h38 n ALA 503 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1h38 n GLU 504 N -1.39 1.39 -2.21 0.00 1.02 -0.15 -4.78 120.64 114.51 1h38 n GLU 504 Ca 0.08 -0.89 -0.29 0.00 -0.02 0.00 0.00 57.16 56.03 1h38 n GLU 504 Cb 0.22 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 1h38 n GLU 504 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1h38 s GLN 505 N -2.23 3.42 0.39 3.49 -1.52 -1.09 -4.97 119.66 117.16 1h38 s GLN 505 Ca 0.30 0.43 0.12 0.00 -1.95 0.00 0.00 55.36 54.27 1h38 s GLN 505 Cb 0.20 -2.20 0.94 0.00 -0.22 0.00 0.00 33.01 31.72 1h38 s GLN 505 CO 0.42 -0.50 1.90 -0.44 -0.25 0.00 0.00 175.29 176.42 1h38 h ASP 506 N -0.14 0.52 -2.25 5.90 3.32 -1.70 -2.98 116.42 119.10 1h38 h ASP 506 Ca -0.45 0.03 -0.59 0.00 0.02 0.00 0.00 57.03 56.04 1h38 h ASP 506 Cb 1.21 -0.07 -0.41 0.00 0.22 0.00 0.00 39.33 40.28 1h38 h ASP 506 CO 0.62 0.27 -0.81 -1.20 -1.72 0.00 0.00 179.24 176.40 1h38 n SER 507 N -4.51 1.99 -0.21 6.45 7.64 -0.59 -5.03 113.62 119.36 1h38 n SER 507 Ca 0.16 -3.05 -0.05 0.00 1.01 0.00 0.00 58.87 56.94 1h38 n SER 507 Cb 0.49 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 62.98 1h38 n SER 507 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1h38 n PRO 508 N 1.37 -0.22 -0.18 1.43 -0.02 -1.13 -0.17 135.00 136.09 1h38 n PRO 508 Ca 0.26 1.22 -0.07 0.00 -2.02 0.00 0.00 63.50 62.89 1h38 n PRO 508 Cb 0.45 -1.81 0.08 0.00 -0.02 0.00 0.00 33.50 32.20 1h38 n PRO 508 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1h38 h PHE 509 N 0.00 1.06 -0.03 6.00 0.04 -1.86 0.16 116.94 122.30 1h38 h PHE 509 Ca 0.08 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.60 1h38 h PHE 509 Cb 0.20 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1h38 h PHE 509 CO -0.96 0.94 -0.39 0.00 -0.60 0.00 0.00 178.31 177.30 1h38 h PHE 511 N 0.06 0.26 -0.64 0.00 3.57 0.24 -1.37 116.94 119.06 1h38 h PHE 511 Ca 0.00 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.51 1h38 h PHE 511 Cb 0.72 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1h38 h PHE 511 CO 0.00 0.38 0.39 1.25 -2.23 0.00 0.00 178.31 178.10 1h38 h LEU 512 N 0.07 0.64 -0.88 0.59 5.85 -0.08 0.33 115.31 121.83 1h38 h LEU 512 Ca 0.05 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1h38 h LEU 512 Cb 0.24 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1h38 h LEU 512 CO -0.00 0.44 0.51 0.00 -0.34 0.00 0.00 178.44 179.05 1h38 h ALA 513 N 1.29 1.30 -0.23 1.25 0.00 -0.56 -0.55 119.26 121.77 1h38 h ALA 513 Ca 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1h38 h ALA 513 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1h38 h ALA 513 CO -0.11 0.10 0.07 0.35 0.00 0.00 0.00 179.25 179.66 1h38 h PHE 514 N 0.82 0.36 -0.62 0.00 3.04 0.15 -2.60 116.94 118.10 1h38 h PHE 514 Ca 0.44 -0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.48 1h38 h PHE 514 Cb 0.46 -0.11 -0.10 0.00 2.56 0.00 0.00 35.95 38.77 1h38 h PHE 514 CO -0.05 0.42 0.08 0.00 -2.02 0.00 0.00 178.31 176.74 1h38 h PHE 516 N 0.19 -1.31 -0.13 0.00 0.04 -0.94 0.12 116.94 114.91 1h38 h PHE 516 Ca 0.33 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.11 1h38 h PHE 516 Cb 0.52 0.50 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 1h38 h PHE 516 CO -0.30 -0.65 0.09 0.93 -0.60 0.00 0.00 178.31 177.78 1h38 h GLU 517 N -0.99 0.17 0.17 1.51 4.39 -0.99 -0.25 114.58 118.59 1h38 h GLU 517 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1h38 h GLU 517 Cb 0.85 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1h38 h GLU 517 CO -0.04 0.12 -0.17 -0.92 -1.16 0.00 0.00 179.01 176.83 1h38 h TYR 518 N 0.18 -0.45 -0.99 4.33 5.03 0.55 -2.53 116.97 123.08 1h38 h TYR 518 Ca 0.05 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.43 1h38 h TYR 518 Cb -0.02 0.18 -0.07 0.00 1.55 0.00 0.00 36.73 38.37 1h38 h TYR 518 CO 0.00 -0.26 0.64 0.00 -1.32 0.00 0.00 178.16 177.22 1h38 h ALA 519 N 0.41 1.44 -0.68 1.82 0.00 0.38 -1.99 119.26 120.63 1h38 h ALA 519 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1h38 h ALA 519 Cb 0.36 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1h38 h ALA 519 CO -0.05 0.41 0.35 0.78 0.00 0.00 0.00 179.25 180.74 1h38 h GLY 520 N 1.14 1.00 1.00 0.00 0.00 -0.72 -1.96 103.07 103.53 1h38 h GLY 520 Ca 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1h38 h GLY 520 CO -0.18 0.10 0.40 -2.08 0.00 0.00 0.00 176.54 174.78 1h38 h VAL 521 N 0.63 1.21 -0.88 4.60 2.07 -0.96 0.37 116.25 123.28 1h38 h VAL 521 Ca 0.32 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1h38 h VAL 521 Cb 0.27 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1h38 h VAL 521 CO -0.23 0.22 0.50 1.56 0.02 0.00 0.00 177.57 179.64 1h38 h GLN 522 N 0.94 1.21 0.09 1.57 1.08 -1.07 1.05 115.11 119.98 1h38 h GLN 522 Ca 0.25 -0.13 -0.29 0.00 -1.45 0.00 0.00 58.65 57.02 1h38 h GLN 522 Cb 0.00 -0.24 0.03 0.00 -0.05 0.00 0.00 27.48 27.22 1h38 h GLN 522 CO -0.04 0.87 -1.19 0.45 -0.95 0.00 0.00 178.83 177.97 1h38 h HIS 523 N 1.22 1.02 0.00 2.96 3.86 -0.83 -3.38 115.15 120.00 1h38 h HIS 523 Ca 0.31 -0.62 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 1h38 h HIS 523 Cb 0.00 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1h38 h HIS 523 CO 0.01 1.46 -0.76 0.72 0.86 0.00 0.00 177.93 180.21 1h38 n HIS 524 N -3.82 0.00 0.00 2.45 8.25 0.12 -5.11 115.22 117.12 1h38 n HIS 524 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1h38 n HIS 524 Cb 0.96 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.04 1h38 n HIS 524 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h38 n GLY 525 N 1.37 -0.46 0.00 -1.41 0.00 0.36 -4.32 105.19 100.73 1h38 n GLY 525 Ca 0.02 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.27 1h38 n GLY 525 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h38 n LEU 526 N -0.64 0.00 -0.40 0.99 4.77 -1.26 -1.16 117.00 119.30 1h38 n LEU 526 Ca 0.00 0.08 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1h38 n LEU 526 Cb 0.00 -0.08 0.19 0.00 -2.33 0.00 0.00 43.42 41.19 1h38 n LEU 526 CO 0.00 -0.07 0.49 -1.54 -1.33 0.00 0.00 177.39 174.94 1h38 n SER 527 N -1.08 1.60 -4.59 -1.43 3.41 -1.26 -0.53 113.62 109.74 1h38 n SER 527 Ca 0.04 -1.26 -0.57 0.00 -0.26 0.00 0.00 58.87 56.82 1h38 n SER 527 Cb 0.03 0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1h38 n SER 527 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h38 n TYR 528 N -0.24 1.31 -2.74 7.33 9.36 -0.31 -4.29 117.16 127.58 1h38 n TYR 528 Ca 0.11 0.83 -0.43 0.00 3.32 0.00 0.00 57.90 61.73 1h38 n TYR 528 Cb 0.42 -2.25 -0.03 0.00 -0.63 0.00 0.00 39.34 36.84 1h38 n TYR 528 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1h38 s ASN 529 N 1.01 6.64 0.07 2.98 2.47 -1.26 -0.67 114.94 126.18 1h38 s ASN 529 Ca 0.91 0.47 0.06 0.00 0.42 0.00 0.00 52.86 54.72 1h38 s ASN 529 Cb -1.14 -2.49 -0.04 0.00 -1.45 0.00 0.00 41.25 36.13 1h38 s ASN 529 CO 0.57 -1.02 -0.09 0.00 -3.72 0.00 0.00 177.10 172.84 1h38 n SER 531 N 1.01 0.06 -4.75 0.00 3.41 -1.26 -1.83 113.62 110.27 1h38 n SER 531 Ca -0.14 -1.26 -0.41 0.00 -0.26 0.00 0.00 58.87 56.80 1h38 n SER 531 Cb 0.52 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 1h38 n SER 531 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1h38 s LEU 532 N -0.04 4.40 -0.55 1.04 2.96 -1.26 -2.68 118.68 122.54 1h38 s LEU 532 Ca 0.00 2.63 -0.28 0.00 -0.22 0.00 0.00 54.13 56.26 1h38 s LEU 532 Cb 0.00 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 43.08 1h38 s LEU 532 CO 0.00 -0.65 1.37 -2.16 -1.32 0.00 0.00 176.35 173.59 1h38 s PRO 533 N -0.55 3.37 -0.27 0.98 0.04 -1.26 -3.90 135.00 133.41 1h38 s PRO 533 Ca 0.57 0.46 -0.28 0.00 0.04 0.00 0.00 61.00 61.79 1h38 s PRO 533 Cb -0.41 -4.09 0.01 0.00 0.04 0.00 0.00 34.50 30.05 1h38 s PRO 533 CO 0.44 -1.85 1.01 -0.51 0.04 0.00 0.00 177.00 176.14 1h38 s LEU 534 N 5.76 4.04 -0.08 -3.56 1.43 0.15 -4.79 118.68 121.63 1h38 s LEU 534 Ca 0.51 1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 54.65 1h38 s LEU 534 Cb -0.10 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 1h38 s LEU 534 CO 0.26 -0.72 0.36 0.00 0.23 0.00 0.00 176.35 176.47 1h38 s ALA 535 N 3.30 3.65 -0.35 4.21 0.00 -1.26 -2.82 121.76 128.49 1h38 s ALA 535 Ca 0.43 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 1h38 s ALA 535 Cb -0.14 -2.38 0.06 0.00 0.00 0.00 0.00 23.12 20.66 1h38 s ALA 535 CO 0.10 0.31 0.11 -0.06 0.00 0.00 0.00 175.76 176.22 1h38 s PHE 536 N -0.37 3.34 0.02 0.00 0.08 0.83 -4.93 117.98 116.94 1h38 s PHE 536 Ca 0.21 -1.81 -0.11 0.00 0.12 0.00 0.00 56.93 55.34 1h38 s PHE 536 Cb -0.15 -2.50 -0.05 0.00 -0.57 0.00 0.00 43.02 39.75 1h38 s PHE 536 CO 0.09 -0.82 0.37 -0.51 -0.10 0.00 0.00 175.22 174.25 1h38 s ASP 537 N 1.52 6.68 0.09 1.36 1.01 -1.26 -1.90 116.67 124.17 1h38 s ASP 537 Ca -0.00 0.82 -0.29 0.00 0.71 0.00 0.00 52.55 53.78 1h38 s ASP 537 Cb -0.21 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1h38 s ASP 537 CO -0.00 0.27 0.94 -0.83 0.21 0.00 0.00 175.17 175.75 1h38 s GLY 538 N -1.38 2.97 0.00 0.21 0.00 -0.47 -3.83 107.32 104.81 1h38 s GLY 538 Ca 0.27 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1h38 s GLY 538 CO 0.14 1.43 0.00 1.44 0.00 0.00 0.00 173.10 176.11 1h38 n SER 539 N 2.89 0.00 -3.92 1.64 7.64 -1.26 -4.18 113.62 116.43 1h38 n SER 539 Ca 0.02 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.58 1h38 n SER 539 Cb 0.49 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.61 1h38 n SER 539 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h38 n SER 541 N 1.90 -0.30 0.00 0.00 3.41 -1.26 0.13 113.62 117.50 1h38 n SER 541 Ca 0.22 1.19 -0.00 0.00 -0.26 0.00 0.00 58.87 60.02 1h38 n SER 541 Cb 0.37 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1h38 n SER 541 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1h38 h GLY 542 N 0.00 -1.36 1.83 5.00 0.00 -1.95 -1.09 103.07 105.50 1h38 h GLY 542 Ca 0.31 0.59 0.02 0.00 0.00 0.00 0.00 47.33 48.24 1h38 h GLY 542 CO -0.70 -0.52 0.07 -2.22 0.00 0.00 0.00 176.54 173.17 1h38 h ILE 543 N -0.02 0.52 -0.09 2.60 2.04 -1.08 -1.00 117.51 120.48 1h38 h ILE 543 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1h38 h ILE 543 Cb 0.02 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1h38 h ILE 543 CO -0.01 0.00 0.04 1.56 0.00 0.00 0.00 178.15 179.74 1h38 h GLN 544 N 0.00 0.14 -0.08 2.37 4.20 0.22 -1.51 115.11 120.45 1h38 h GLN 544 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1h38 h GLN 544 Cb 0.16 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1h38 h GLN 544 CO -0.00 0.26 0.01 0.45 -0.67 0.00 0.00 178.83 178.88 1h38 h HIS 545 N -0.01 0.15 -0.86 2.96 3.86 0.07 -0.36 115.15 120.96 1h38 h HIS 545 Ca 0.03 -0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1h38 h HIS 545 Cb 0.18 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.54 1h38 h HIS 545 CO -0.01 0.38 0.53 0.74 0.86 0.00 0.00 177.93 180.42 1h38 h PHE 546 N -0.12 0.97 0.00 2.45 0.04 -1.38 0.73 116.94 119.63 1h38 h PHE 546 Ca 0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1h38 h PHE 546 Cb 0.32 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1h38 h PHE 546 CO 0.02 0.46 -0.18 0.77 -0.60 0.00 0.00 178.31 178.79 1h38 h SER 547 N 0.93 0.00 0.18 2.17 0.02 -0.86 -2.66 113.55 113.33 1h38 h SER 547 Ca 0.39 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 61.00 1h38 h SER 547 Cb 0.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.78 1h38 h SER 547 CO -0.20 0.18 -1.72 0.00 -1.14 0.00 0.00 176.83 173.95 1h38 h ALA 548 N 1.82 0.17 0.00 3.77 0.00 0.72 -1.03 119.26 124.70 1h38 h ALA 548 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1h38 h ALA 548 Cb 0.54 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1h38 h ALA 548 CO 0.02 1.01 0.00 0.00 0.00 0.00 0.00 179.25 180.28 1h38 n MET 549 N -3.63 0.13 -0.34 0.00 0.00 0.06 -1.95 117.12 111.40 1h38 n MET 549 Ca -0.25 0.43 0.08 0.00 0.00 0.00 0.00 57.70 57.95 1h38 n MET 549 Cb 1.05 -1.78 0.15 0.00 0.00 0.00 0.00 33.22 32.64 1h38 n MET 549 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1h38 n LEU 550 N -2.04 2.26 -4.21 3.17 4.77 -1.02 -4.94 117.00 115.01 1h38 n LEU 550 Ca 0.02 -3.19 -0.38 0.00 -0.03 0.00 0.00 56.01 52.43 1h38 n LEU 550 Cb 0.17 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1h38 n LEU 550 CO 0.15 0.91 -0.14 0.54 -1.33 0.00 0.00 177.39 177.52 1h38 n ARG 551 N -1.16 -0.82 -2.26 3.23 5.12 -0.82 -1.40 116.66 118.55 1h38 n ARG 551 Ca 0.16 0.12 -0.43 0.00 -1.93 0.00 0.00 57.85 55.77 1h38 n ARG 551 Cb 0.68 -4.30 -0.02 0.00 -1.16 0.00 0.00 32.46 27.66 1h38 n ARG 551 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1h38 s ASP 552 N -3.01 6.63 -0.15 0.55 -1.08 -0.41 -1.00 116.67 118.20 1h38 s ASP 552 Ca 0.74 1.58 -0.27 0.00 -0.52 0.00 0.00 52.55 54.08 1h38 s ASP 552 Cb -0.43 -2.54 -0.25 0.00 -1.46 0.00 0.00 42.92 38.25 1h38 s ASP 552 CO 0.90 -1.05 0.66 1.05 0.52 0.00 0.00 175.17 177.25 1h38 h GLU 553 N 9.58 0.02 0.33 4.34 9.09 -1.89 -2.16 114.58 133.88 1h38 h GLU 553 Ca -0.30 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.07 1h38 h GLU 553 Cb 1.13 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.23 1h38 h GLU 553 CO 1.00 1.01 -0.21 0.28 0.05 0.00 0.00 179.01 181.14 1h38 h VAL 554 N -0.96 0.56 -0.65 -1.06 2.07 -1.91 0.84 116.25 115.15 1h38 h VAL 554 Ca -0.08 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1h38 h VAL 554 Cb 1.10 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1h38 h VAL 554 CO -0.04 0.00 0.19 1.23 0.02 0.00 0.00 177.57 178.97 1h38 h GLY 555 N -0.52 1.09 0.54 2.17 0.00 -1.63 -1.44 103.07 103.28 1h38 h GLY 555 Ca -0.03 -0.65 0.09 0.00 0.00 0.00 0.00 47.33 46.74 1h38 h GLY 555 CO 0.03 0.61 0.52 -1.33 0.00 0.00 0.00 176.54 176.37 1h38 h GLY 556 N 0.94 1.36 1.46 4.60 0.00 -1.11 0.99 103.07 111.32 1h38 h GLY 556 Ca 0.21 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1h38 h GLY 556 CO -0.00 0.16 -0.15 -0.09 0.00 0.00 0.00 176.54 176.45 1h38 h ARG 557 N 0.87 0.64 -0.35 4.80 2.43 -0.41 -0.82 114.38 121.54 1h38 h ARG 557 Ca 0.42 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1h38 h ARG 557 Cb 0.36 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1h38 h ARG 557 CO -0.24 0.76 0.23 0.00 -1.51 0.00 0.00 179.97 179.21 1h38 h ALA 558 N 1.26 1.95 -0.59 2.80 0.00 0.25 -2.16 119.26 122.77 1h38 h ALA 558 Ca 0.10 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.63 1h38 h ALA 558 Cb 0.59 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.08 1h38 h ALA 558 CO 0.04 -0.00 -0.03 1.33 0.00 0.00 0.00 179.25 180.59 1h38 n VAL 559 N -4.48 2.78 -2.79 0.00 0.24 -0.75 -4.02 118.33 109.31 1h38 n VAL 559 Ca 0.04 -3.04 -0.22 0.00 -2.04 0.00 0.00 64.34 59.08 1h38 n VAL 559 Cb 0.20 -0.64 0.02 0.00 -1.47 0.00 0.00 33.84 31.95 1h38 n VAL 559 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1h38 n ASN 560 N -1.01 -6.01 0.05 -1.34 3.02 -0.81 -4.67 115.26 104.49 1h38 n ASN 560 Ca 0.42 -0.18 -0.08 0.00 -0.03 0.00 0.00 54.58 54.72 1h38 n ASN 560 Cb 1.02 -4.91 -0.12 0.00 -0.61 0.00 0.00 39.78 35.15 1h38 n ASN 560 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1h38 h LEU 561 N -0.86 0.02 -9.44 3.41 5.85 -1.39 -3.23 115.31 109.67 1h38 h LEU 561 Ca -0.52 -0.02 -0.66 0.00 0.84 0.00 0.00 57.88 57.52 1h38 h LEU 561 Cb 1.37 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.27 1h38 h LEU 561 CO 0.57 1.02 -0.63 -0.76 -0.34 0.00 0.00 178.44 178.30 1h38 s LEU 562 N -6.67 3.61 0.04 2.25 1.43 -1.26 -3.78 118.68 114.30 1h38 s LEU 562 Ca 0.00 0.00 -0.36 0.00 -1.03 0.00 0.00 54.13 52.75 1h38 s LEU 562 Cb 0.10 -2.13 -0.14 0.00 0.03 0.00 0.00 46.19 44.04 1h38 s LEU 562 CO 0.82 0.26 1.59 -0.81 0.23 0.00 0.00 176.35 178.44 1h38 n PRO 563 N 1.18 1.75 -4.09 1.29 -0.04 -1.26 -4.86 135.00 128.97 1h38 n PRO 563 Ca -0.13 0.63 -0.10 0.00 -0.04 0.00 0.00 63.50 63.86 1h38 n PRO 563 Cb 0.52 -2.37 -0.09 0.00 -0.04 0.00 0.00 33.50 31.53 1h38 n PRO 563 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1h38 s SER 564 N 1.71 0.16 0.03 3.54 0.15 -1.26 -5.03 113.70 113.00 1h38 s SER 564 Ca 0.85 -1.12 0.14 0.00 0.70 0.00 0.00 55.95 56.53 1h38 s SER 564 Cb -0.81 0.38 -0.17 0.00 -1.71 0.00 0.00 66.02 63.72 1h38 s SER 564 CO 0.46 -0.84 0.82 -0.08 1.20 0.00 0.00 173.24 174.80 1h38 h GLU 565 N 2.66 0.00 -6.15 5.44 4.22 -2.01 -3.46 114.58 115.27 1h38 h GLU 565 Ca -0.33 0.00 -0.55 0.00 0.08 0.00 0.00 59.36 58.56 1h38 h GLU 565 Cb 1.22 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 1h38 h GLU 565 CO 0.52 0.42 -0.58 -0.08 -2.18 0.00 0.00 179.01 177.11 1h38 s THR 566 N -2.78 3.38 0.15 0.32 -1.32 -1.26 -4.58 115.64 109.55 1h38 s THR 566 Ca -0.03 -1.76 -0.30 0.00 -1.21 0.00 0.00 61.69 58.39 1h38 s THR 566 Cb 0.08 -2.97 -0.07 0.00 -1.51 0.00 0.00 72.50 68.03 1h38 s THR 566 CO 0.81 -0.29 1.21 -0.69 -2.21 0.00 0.00 174.62 173.45 1h38 s VAL 567 N -2.35 3.69 -0.08 5.08 1.01 -1.26 -5.00 120.40 121.50 1h38 s VAL 567 Ca 0.34 1.35 -0.23 0.00 0.00 0.00 0.00 61.98 63.44 1h38 s VAL 567 Cb -0.05 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1h38 s VAL 567 CO 0.22 0.18 0.68 -1.10 0.00 0.00 0.00 175.10 175.07 1h38 s GLN 568 N 0.18 4.42 -0.61 2.72 -1.52 -1.26 -4.92 119.66 118.67 1h38 s GLN 568 Ca 0.55 0.83 -0.04 0.00 -1.95 0.00 0.00 55.36 54.75 1h38 s GLN 568 Cb -0.32 -3.45 0.16 0.00 -0.22 0.00 0.00 33.01 29.18 1h38 s GLN 568 CO 0.34 0.06 0.44 0.34 -0.25 0.00 0.00 175.29 176.22 1h38 s ASP 569 N 0.79 5.42 0.35 5.90 2.15 -1.26 -4.71 116.67 125.32 1h38 s ASP 569 Ca 0.36 -2.68 0.12 0.00 0.43 0.00 0.00 52.55 50.79 1h38 s ASP 569 Cb -0.17 -1.90 0.94 0.00 -0.30 0.00 0.00 42.92 41.49 1h38 s ASP 569 CO 0.17 -0.43 1.77 -0.29 -0.17 0.00 0.00 175.17 176.22 1h38 h ILE 570 N 5.42 0.61 -0.68 4.11 2.10 -1.97 0.18 117.51 127.28 1h38 h ILE 570 Ca -0.03 -0.19 -0.05 0.00 1.08 0.00 0.00 64.86 65.67 1h38 h ILE 570 Cb 0.98 -0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 36.68 1h38 h ILE 570 CO 0.73 0.10 0.23 1.88 -1.08 0.00 0.00 178.15 180.01 1h38 h TYR 571 N 0.56 1.06 -0.16 2.19 0.05 -1.94 -1.63 116.97 117.10 1h38 h TYR 571 Ca 0.58 -0.09 -0.20 0.00 0.05 0.00 0.00 58.73 59.07 1h38 h TYR 571 Cb 1.21 -0.31 0.01 0.00 1.01 0.00 0.00 36.73 38.64 1h38 h TYR 571 CO -0.00 0.84 -0.68 0.78 -1.05 0.00 0.00 178.16 178.04 1h38 h GLY 572 N 1.07 0.82 1.03 3.88 0.00 -1.05 -1.39 103.07 107.44 1h38 h GLY 572 Ca 0.22 -1.13 -0.02 0.00 0.00 0.00 0.00 47.33 46.41 1h38 h GLY 572 CO -0.01 1.01 0.49 0.16 0.00 0.00 0.00 176.54 178.18 1h38 h ILE 573 N 0.46 1.26 -0.73 2.60 -0.00 -0.87 0.19 117.51 120.43 1h38 h ILE 573 Ca -0.04 -0.63 -0.04 0.00 -0.00 0.00 0.00 64.86 64.15 1h38 h ILE 573 Cb 1.31 0.06 -0.03 0.00 -0.00 0.00 0.00 36.82 38.16 1h38 h ILE 573 CO 0.14 0.29 0.31 0.58 -0.00 0.00 0.00 178.15 179.46 1h38 h VAL 574 N 1.24 1.25 -0.76 0.16 2.07 -1.25 -1.49 116.25 117.46 1h38 h VAL 574 Ca 0.31 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1h38 h VAL 574 Cb 0.02 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1h38 h VAL 574 CO -0.05 0.31 0.51 0.00 0.02 0.00 0.00 177.57 178.35 1h38 h ALA 575 N 1.15 1.47 0.54 1.67 0.00 -0.15 -0.86 119.26 123.07 1h38 h ALA 575 Ca 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1h38 h ALA 575 Cb 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1h38 h ALA 575 CO -0.02 0.49 -0.26 -0.22 0.00 0.00 0.00 179.25 179.24 1h38 h LYS 576 N 1.02 -0.69 -0.95 0.00 3.64 0.33 -1.69 116.57 118.22 1h38 h LYS 576 Ca 0.28 0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.89 1h38 h LYS 576 Cb -0.10 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 31.77 1h38 h LYS 576 CO -0.06 -0.41 0.54 0.87 -2.27 0.00 0.00 179.45 178.12 1h38 h LYS 577 N -0.84 0.67 -0.41 1.90 1.57 -1.14 0.71 116.57 119.04 1h38 h LYS 577 Ca -0.07 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1h38 h LYS 577 Cb 0.60 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1h38 h LYS 577 CO 0.12 0.44 0.19 0.28 -0.57 0.00 0.00 179.45 179.91 1h38 h VAL 578 N 0.69 0.95 -0.15 0.50 2.07 -0.62 -2.16 116.25 117.53 1h38 h VAL 578 Ca 0.55 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.91 1h38 h VAL 578 Cb 0.85 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1h38 h VAL 578 CO -0.39 0.07 -0.01 0.78 0.02 0.00 0.00 177.57 178.04 1h38 h ASN 579 N 0.38 0.20 -0.64 0.57 2.35 -0.01 0.56 115.58 118.99 1h38 h ASN 579 Ca 0.18 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1h38 h ASN 579 Cb 0.11 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1h38 h ASN 579 CO -0.14 0.25 0.34 -0.33 -1.65 0.00 0.00 177.43 175.90 1h38 h GLU 580 N 0.22 0.90 -0.33 0.81 5.08 -0.57 -1.52 114.58 119.18 1h38 h GLU 580 Ca 0.05 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1h38 h GLU 580 Cb 0.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1h38 h GLU 580 CO 0.00 0.70 -0.35 0.82 -1.00 0.00 0.00 179.01 179.18 1h38 h ILE 581 N 0.88 1.28 -0.70 3.13 2.04 -0.81 -0.94 117.51 122.40 1h38 h ILE 581 Ca 0.22 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.58 1h38 h ILE 581 Cb 0.07 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1h38 h ILE 581 CO -0.03 0.49 0.46 -0.07 0.00 0.00 0.00 178.15 179.00 1h38 h LEU 582 N 0.62 0.81 -0.14 1.44 3.38 -0.62 0.30 115.31 121.10 1h38 h LEU 582 Ca 0.06 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1h38 h LEU 582 Cb 0.89 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1h38 h LEU 582 CO 0.08 0.59 -0.09 1.56 0.09 0.00 0.00 178.44 180.67 1h38 h GLN 583 N 0.95 0.30 -0.64 1.13 4.20 -1.19 -0.79 115.11 119.06 1h38 h GLN 583 Ca 0.25 -0.14 0.09 0.00 0.06 0.00 0.00 58.65 58.91 1h38 h GLN 583 Cb -0.10 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1h38 h GLN 583 CO -0.05 0.66 0.42 0.00 -0.67 0.00 0.00 178.83 179.19 1h38 h ALA 584 N 0.64 1.92 0.00 3.87 0.00 -0.73 -0.81 119.26 124.14 1h38 h ALA 584 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1h38 h ALA 584 Cb 0.59 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1h38 h ALA 584 CO 0.03 -0.05 -0.71 -0.44 0.00 0.00 0.00 179.25 178.07 1h38 h ASP 585 N 0.51 0.00 -0.23 0.00 5.19 -0.80 -2.45 116.42 118.64 1h38 h ASP 585 Ca 0.29 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.61 1h38 h ASP 585 Cb 0.46 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1h38 h ASP 585 CO -0.09 0.04 -0.14 0.00 -3.12 0.00 0.00 179.24 175.93 1h38 h ALA 586 N 1.96 1.08 0.05 3.45 0.00 0.32 -3.30 119.26 122.82 1h38 h ALA 586 Ca -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1h38 h ALA 586 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1h38 h ALA 586 CO 0.00 0.56 -0.03 0.82 0.00 0.00 0.00 179.25 180.61 1h38 h ILE 587 N 0.58 0.00 0.00 0.00 1.08 -1.47 -3.48 117.51 114.22 1h38 h ILE 587 Ca 0.10 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1h38 h ILE 587 Cb 0.58 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1h38 h ILE 587 CO 0.04 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.09 1h38 n ASN 588 N -2.69 0.00 0.00 1.72 4.13 -0.93 -5.08 115.26 112.42 1h38 n ASN 588 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1h38 n ASN 588 Cb 0.03 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 1h38 n ASN 588 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1h38 n GLY 589 N 5.00 -1.91 3.78 7.41 0.00 -1.26 -4.44 105.19 113.78 1h38 n GLY 589 Ca 0.00 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 1h38 n GLY 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h38 s THR 590 N -3.28 3.48 0.37 2.61 -4.23 -1.26 -4.54 115.64 108.80 1h38 s THR 590 Ca 0.00 0.63 -0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1h38 s THR 590 Cb 0.00 -3.17 -0.03 0.00 1.34 0.00 0.00 72.50 70.64 1h38 s THR 590 CO 0.00 -0.48 0.59 -1.81 -0.54 0.00 0.00 174.62 172.37 1h38 s ASP 591 N -2.90 6.26 0.48 3.99 1.01 -1.26 -1.79 116.67 122.46 1h38 s ASP 591 Ca 0.64 0.50 -0.23 0.00 0.71 0.00 0.00 52.55 54.16 1h38 s ASP 591 Cb -0.18 -2.02 -0.08 0.00 1.01 0.00 0.00 42.92 41.65 1h38 s ASP 591 CO 0.44 -0.36 1.18 0.59 0.21 0.00 0.00 175.17 177.24 1h38 n ASN 592 N -1.86 2.00 -4.06 0.27 4.13 -1.26 -3.95 115.26 110.52 1h38 n ASN 592 Ca -0.04 1.01 -0.26 0.00 1.68 0.00 0.00 54.58 56.97 1h38 n ASN 592 Cb 0.56 -1.47 -0.17 0.00 -1.54 0.00 0.00 39.78 37.17 1h38 n ASN 592 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1h38 s GLU 593 N -2.41 1.97 -0.51 3.52 2.56 -1.10 -4.84 118.70 117.89 1h38 s GLU 593 Ca 0.66 -0.51 -0.15 0.00 0.00 0.00 0.00 54.97 54.98 1h38 s GLU 593 Cb -0.48 -1.59 0.12 0.00 2.00 0.00 0.00 34.13 34.18 1h38 s GLU 593 CO 0.54 0.06 0.45 0.08 -0.56 0.00 0.00 175.26 175.83 1h38 s VAL 594 N 0.59 5.03 0.46 3.70 1.01 -1.26 0.15 120.40 130.08 1h38 s VAL 594 Ca -0.15 -1.46 -0.06 0.00 0.00 0.00 0.00 61.98 60.30 1h38 s VAL 594 Cb -0.16 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1h38 s VAL 594 CO 0.05 -0.79 0.78 -0.69 0.00 0.00 0.00 175.10 174.44 1h38 s VAL 595 N 1.57 4.88 -0.03 2.92 1.01 -0.87 -4.90 120.40 124.98 1h38 s VAL 595 Ca 0.04 0.30 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1h38 s VAL 595 Cb -0.28 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1h38 s VAL 595 CO 0.03 -0.76 0.36 -0.89 0.00 0.00 0.00 175.10 173.84 1h38 s THR 596 N -2.64 5.13 -0.06 3.92 2.01 -1.26 -2.79 115.64 119.95 1h38 s THR 596 Ca 0.48 0.72 0.00 0.00 0.31 0.00 0.00 61.69 63.20 1h38 s THR 596 Cb -0.10 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1h38 s THR 596 CO 0.41 0.57 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.19 1h38 s VAL 597 N -0.96 0.53 -0.25 3.82 1.01 -0.22 -5.00 120.40 119.33 1h38 s VAL 597 Ca 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 1h38 s VAL 597 Cb -0.16 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1h38 s VAL 597 CO 0.11 0.25 -0.03 -0.89 0.00 0.00 0.00 175.10 174.54 1h38 s THR 598 N 1.29 3.22 0.35 3.92 2.01 -1.26 0.01 115.64 125.17 1h38 s THR 598 Ca -0.05 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 60.85 1h38 s THR 598 Cb -0.14 -2.60 -0.12 0.00 0.01 0.00 0.00 72.50 69.65 1h38 s THR 598 CO -0.02 0.23 1.11 -0.67 -0.69 0.00 0.00 174.62 174.58 1h38 n ASP 599 N 4.74 1.82 -0.07 3.53 2.03 -0.56 -4.81 116.55 123.23 1h38 n ASP 599 Ca -0.16 1.15 -0.15 0.00 0.52 0.00 0.00 54.79 56.14 1h38 n ASP 599 Cb 0.48 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 39.45 1h38 n ASP 599 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1h38 h GLU 600 N 2.06 0.87 0.03 -0.67 4.39 -1.96 0.14 114.58 119.44 1h38 h GLU 600 Ca -0.43 -0.57 -0.00 0.00 0.34 0.00 0.00 59.36 58.69 1h38 h GLU 600 Cb 1.32 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1h38 h GLU 600 CO 0.60 1.21 -0.01 -0.91 -1.16 0.00 0.00 179.01 178.73 1h38 h ASN 601 N 0.65 -0.04 0.59 1.42 2.35 -2.00 -3.38 115.58 115.17 1h38 h ASN 601 Ca 0.00 -0.68 -0.13 0.00 -0.55 0.00 0.00 56.30 54.94 1h38 h ASN 601 Cb 1.19 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1h38 h ASN 601 CO 0.13 0.74 -1.52 0.41 -1.65 0.00 0.00 177.43 175.54 1h38 n THR 602 N -4.73 0.94 -1.23 2.81 -1.04 -1.26 -4.95 114.28 104.83 1h38 n THR 602 Ca -0.08 -0.66 -0.08 0.00 -2.04 0.00 0.00 64.05 61.19 1h38 n THR 602 Cb 0.35 -0.54 -0.03 0.00 -1.82 0.00 0.00 70.33 68.28 1h38 n THR 602 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h38 n GLY 603 N 1.37 0.97 3.69 3.41 0.00 0.48 -4.95 105.19 110.16 1h38 n GLY 603 Ca -0.10 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1h38 n GLY 603 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h38 s GLU 604 N -2.48 4.28 -0.10 1.61 2.12 -1.26 -4.63 118.70 118.24 1h38 s GLU 604 Ca 0.00 2.05 -0.30 0.00 0.36 0.00 0.00 54.97 57.09 1h38 s GLU 604 Cb 0.00 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1h38 s GLU 604 CO 0.00 -0.57 1.06 0.42 -0.54 0.00 0.00 175.26 175.63 1h38 s ILE 605 N 2.15 4.64 0.03 -3.70 -1.09 -1.26 -1.49 121.20 120.47 1h38 s ILE 605 Ca 0.66 1.92 0.02 0.00 -2.23 0.00 0.00 60.65 61.02 1h38 s ILE 605 Cb -0.34 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.28 1h38 s ILE 605 CO 0.28 -0.01 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.47 1h38 s SER 606 N 1.21 0.83 -0.27 3.58 0.01 0.10 -5.00 113.70 114.15 1h38 s SER 606 Ca 0.50 -0.46 -0.10 0.00 1.31 0.00 0.00 55.95 57.20 1h38 s SER 606 Cb -0.20 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1h38 s SER 606 CO 0.18 -0.14 0.16 -1.61 0.41 0.00 0.00 173.24 172.23 1h38 s GLU 607 N -1.28 3.86 -0.05 12.44 2.02 -1.26 -1.06 118.70 133.36 1h38 s GLU 607 Ca -0.07 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1h38 s GLU 607 Cb -0.08 -3.57 0.02 0.00 0.10 0.00 0.00 34.13 30.60 1h38 s GLU 607 CO 0.00 -0.19 -0.03 0.15 0.02 0.00 0.00 175.26 175.22 1h38 s LYS 608 N 1.72 0.75 -0.07 1.61 1.02 -1.12 -5.02 119.74 118.63 1h38 s LYS 608 Ca 0.07 -0.03 -0.19 0.00 0.02 0.00 0.00 55.97 55.84 1h38 s LYS 608 Cb -0.16 -0.89 -0.05 0.00 -0.52 0.00 0.00 37.83 36.22 1h38 s LYS 608 CO 0.09 -0.16 0.51 0.54 -0.92 0.00 0.00 175.35 175.41 1h38 s VAL 609 N 1.28 5.09 -1.02 3.17 0.11 -1.26 -2.05 120.40 125.72 1h38 s VAL 609 Ca -0.05 1.04 -0.18 0.00 -2.93 0.00 0.00 61.98 59.86 1h38 s VAL 609 Cb -0.14 -3.85 0.13 0.00 -1.53 0.00 0.00 36.38 31.00 1h38 s VAL 609 CO -0.02 0.38 1.25 -0.75 -3.33 0.00 0.00 175.10 172.63 1h38 s LYS 610 N 0.22 3.75 0.07 1.54 2.20 0.40 -4.91 119.74 123.02 1h38 s LYS 610 Ca 0.28 -1.96 -0.34 0.00 -0.36 0.00 0.00 55.97 53.59 1h38 s LYS 610 Cb -0.16 -5.00 -0.18 0.00 -1.51 0.00 0.00 37.83 30.97 1h38 s LYS 610 CO 0.13 -1.81 0.82 1.28 -0.36 0.00 0.00 175.35 175.40 1h38 n LEU 611 N 6.50 -0.47 -4.92 5.43 4.77 -1.26 -2.72 117.00 124.33 1h38 n LEU 611 Ca 0.29 1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 57.07 1h38 n LEU 611 Cb 0.47 -0.89 0.14 0.00 -2.33 0.00 0.00 43.42 40.82 1h38 n LEU 611 CO 0.55 -2.23 0.82 -0.83 -1.33 0.00 0.00 177.39 174.37 1h38 s GLY 612 N -0.37 1.71 0.38 -0.72 0.00 -1.25 -4.83 107.32 102.24 1h38 s GLY 612 Ca 0.77 -1.02 0.15 0.00 0.00 0.00 0.00 44.72 44.62 1h38 s GLY 612 CO 0.54 -0.38 1.82 -0.91 0.00 0.00 0.00 173.10 174.17 1h38 h THR 613 N -1.33 1.12 -0.36 0.90 1.35 -1.84 -1.89 112.91 110.86 1h38 h THR 613 Ca -0.45 -1.30 0.02 0.00 -0.55 0.00 0.00 66.41 64.13 1h38 h THR 613 Cb 1.27 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 69.39 1h38 h THR 613 CO 0.49 0.35 0.21 0.50 -0.25 0.00 0.00 175.52 176.83 1h38 h LYS 614 N 0.00 0.42 -0.23 4.72 3.64 -1.47 0.12 116.57 123.76 1h38 h LYS 614 Ca -0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1h38 h LYS 614 Cb 0.70 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1h38 h LYS 614 CO 0.05 0.28 -0.09 0.00 -2.27 0.00 0.00 179.45 177.42 1h38 h ALA 615 N 1.16 0.33 -0.42 5.00 0.00 -1.70 -2.29 119.26 121.34 1h38 h ALA 615 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1h38 h ALA 615 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1h38 h ALA 615 CO -0.07 0.15 0.17 -0.07 0.00 0.00 0.00 179.25 179.43 1h38 h LEU 616 N 0.20 0.58 -1.17 0.00 3.38 -1.18 -1.92 115.31 115.20 1h38 h LEU 616 Ca 0.06 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1h38 h LEU 616 Cb 0.57 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1h38 h LEU 616 CO 0.03 0.58 0.45 0.00 0.09 0.00 0.00 178.44 179.60 1h38 h ALA 617 N 1.02 1.38 -0.99 1.53 0.00 -0.77 -1.19 119.26 120.24 1h38 h ALA 617 Ca 0.14 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1h38 h ALA 617 Cb 0.19 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1h38 h ALA 617 CO -0.01 0.54 0.63 0.78 0.00 0.00 0.00 179.25 181.19 1h38 h GLY 618 N 1.07 1.50 0.78 0.00 0.00 -0.76 -0.26 103.07 105.39 1h38 h GLY 618 Ca 0.27 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1h38 h GLY 618 CO -0.05 0.33 0.01 1.46 0.00 0.00 0.00 176.54 178.29 1h38 h GLN 619 N 1.15 0.13 -0.39 4.80 4.20 -0.53 0.01 115.11 124.48 1h38 h GLN 619 Ca 0.43 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 59.05 1h38 h GLN 619 Cb 0.17 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1h38 h GLN 619 CO -0.17 0.35 0.06 -1.49 -0.67 0.00 0.00 178.83 176.90 1h38 h TRP 620 N -0.11 0.69 -0.50 2.96 4.06 -1.03 0.47 115.95 122.50 1h38 h TRP 620 Ca 0.02 -0.10 -0.03 0.00 2.06 0.00 0.00 58.89 60.84 1h38 h TRP 620 Cb 0.28 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 1h38 h TRP 620 CO 0.02 0.69 0.18 -0.07 -3.56 0.00 0.00 178.44 175.69 1h38 h LEU 621 N 0.49 0.66 -1.19 -4.49 3.38 -1.05 0.65 115.31 113.77 1h38 h LEU 621 Ca 0.12 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1h38 h LEU 621 Cb 0.37 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1h38 h LEU 621 CO 0.01 0.62 0.56 0.00 0.09 0.00 0.00 178.44 179.72 1h38 h ALA 622 N 1.48 1.49 0.24 1.53 0.00 0.36 -2.72 119.26 121.64 1h38 h ALA 622 Ca 0.17 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.71 1h38 h ALA 622 Cb 0.18 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 17.71 1h38 h ALA 622 CO -0.01 0.42 -1.51 -0.92 0.00 0.00 0.00 179.25 177.23 1h38 h TYR 623 N 1.04 0.94 -0.38 0.00 3.20 0.15 -3.50 116.97 118.41 1h38 h TYR 623 Ca 0.34 -0.68 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1h38 h TYR 623 Cb 0.06 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1h38 h TYR 623 CO -0.00 1.58 0.00 0.41 -1.64 0.00 0.00 178.16 178.51 1h38 n GLY 624 N 1.74 -0.10 3.78 1.82 0.00 0.21 -5.07 105.19 107.56 1h38 n GLY 624 Ca -0.18 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 1h38 n GLY 624 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h38 s VAL 625 N 0.00 5.26 0.24 1.61 1.01 -1.26 -5.03 120.40 122.23 1h38 s VAL 625 Ca 0.00 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.63 1h38 s VAL 625 Cb 0.00 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1h38 s VAL 625 CO 0.00 0.47 0.22 0.35 0.00 0.00 0.00 175.10 176.14 1h38 n THR 626 N 2.90 0.00 0.15 3.92 -2.24 -1.26 -4.97 114.28 112.78 1h38 n THR 626 Ca -0.13 -1.71 0.19 0.00 -2.27 0.00 0.00 64.05 60.13 1h38 n THR 626 Cb 0.52 0.87 0.77 0.00 -2.10 0.00 0.00 70.33 70.40 1h38 n THR 626 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1h38 h ARG 627 N 0.00 0.00 -0.19 -0.78 0.11 -1.89 -0.60 114.38 111.02 1h38 h ARG 627 Ca -0.17 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.86 1h38 h ARG 627 Cb 0.86 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 1h38 h ARG 627 CO 0.25 0.00 -0.08 0.77 0.10 0.00 0.00 179.97 181.00 1h38 h SER 628 N 0.00 0.28 1.41 0.08 0.02 -1.95 0.61 113.55 113.99 1h38 h SER 628 Ca 0.14 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1h38 h SER 628 Cb 0.91 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1h38 h SER 628 CO -0.00 0.41 -0.25 0.58 -1.14 0.00 0.00 176.83 176.42 1h38 h VAL 629 N 0.29 0.49 0.00 2.27 2.07 -1.51 -3.34 116.25 116.52 1h38 h VAL 629 Ca 0.06 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1h38 h VAL 629 Cb 0.34 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1h38 h VAL 629 CO 0.02 0.25 -0.86 0.35 0.02 0.00 0.00 177.57 177.34 1h38 n THR 630 N -3.24 0.00 0.00 2.57 -2.24 -0.98 -4.79 114.28 105.60 1h38 n THR 630 Ca 0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1h38 n THR 630 Cb 0.56 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1h38 n THR 630 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1h38 n LYS 631 N -1.48 0.00 -0.22 -0.78 4.81 0.17 -2.03 118.16 118.63 1h38 n LYS 631 Ca 0.00 0.74 0.02 0.00 -0.87 0.00 0.00 58.31 58.20 1h38 n LYS 631 Cb 0.19 -1.34 0.11 0.00 0.02 0.00 0.00 35.03 34.01 1h38 n LYS 631 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h38 h ARG 632 N 0.00 0.09 -0.36 1.64 -0.00 -1.87 -1.31 114.38 112.57 1h38 h ARG 632 Ca 0.00 -0.01 0.06 0.00 -0.50 0.00 0.00 59.98 59.54 1h38 h ARG 632 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 29.97 29.89 1h38 h ARG 632 CO 0.00 0.06 0.02 0.77 0.00 0.00 0.00 179.97 180.81 1h38 h SER 633 N 0.09 -0.11 0.41 7.04 0.02 -1.80 0.58 113.55 119.77 1h38 h SER 633 Ca 0.35 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 61.26 1h38 h SER 633 Cb 0.58 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1h38 h SER 633 CO -0.60 -0.02 -0.51 1.62 -1.14 0.00 0.00 176.83 176.18 1h38 h VAL 634 N 0.12 1.36 0.00 2.27 3.04 -0.73 -2.60 116.25 119.71 1h38 h VAL 634 Ca 0.18 -1.77 0.00 0.00 -1.01 0.00 0.00 66.70 64.10 1h38 h VAL 634 Cb 0.24 1.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 1h38 h VAL 634 CO -0.28 0.52 -0.03 1.15 -1.01 0.00 0.00 177.57 177.92 1h38 n MET 635 N -3.93 0.05 -0.26 4.17 0.00 -0.56 -2.37 117.12 114.22 1h38 n MET 635 Ca -0.02 0.04 0.10 0.00 0.00 0.00 0.00 57.70 57.83 1h38 n MET 635 Cb 0.54 -1.56 0.24 0.00 0.00 0.00 0.00 33.22 32.44 1h38 n MET 635 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1h38 n THR 636 N -1.66 0.81 -0.25 3.17 -2.24 0.09 -4.46 114.28 109.74 1h38 n THR 636 Ca 0.07 -0.90 -0.06 0.00 -2.27 0.00 0.00 64.05 60.89 1h38 n THR 636 Cb 0.36 0.68 0.05 0.00 -2.10 0.00 0.00 70.33 69.32 1h38 n THR 636 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1h38 h LEU 637 N 3.75 0.86 0.00 3.22 5.85 -1.09 -1.82 115.31 126.08 1h38 h LEU 637 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1h38 h LEU 637 Cb 0.91 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1h38 h LEU 637 CO 0.00 0.68 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 1h38 n ALA 638 N -2.33 2.49 -0.15 1.25 0.00 -1.26 -2.05 120.51 118.45 1h38 n ALA 638 Ca 0.06 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1h38 n ALA 638 Cb 0.07 -1.42 0.22 0.00 0.00 0.00 0.00 19.45 18.31 1h38 n ALA 638 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h38 n TYR 639 N -0.98 0.63 -0.21 0.00 4.01 -0.70 -3.96 117.16 115.94 1h38 n TYR 639 Ca 0.19 -0.44 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1h38 n TYR 639 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1h38 n TYR 639 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h38 n GLY 640 N 1.05 0.62 3.79 2.72 0.00 -0.87 -4.92 105.19 107.57 1h38 n GLY 640 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1h38 n GLY 640 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h38 s SER 641 N -2.95 7.11 0.00 1.61 1.04 -1.11 -5.01 113.70 114.38 1h38 s SER 641 Ca 0.00 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.31 1h38 s SER 641 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1h38 s SER 641 CO 0.00 -0.24 0.00 0.29 0.98 0.00 0.00 173.24 174.27 1h38 n LYS 642 N 0.21 0.11 -0.30 4.02 5.02 -1.26 -4.46 118.16 121.49 1h38 n LYS 642 Ca 0.04 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.24 1h38 n LYS 642 Cb 0.50 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.44 1h38 n LYS 642 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1h38 h GLU 643 N 0.00 -0.03 -0.55 1.97 4.81 -1.96 0.93 114.58 119.76 1h38 h GLU 643 Ca 0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1h38 h GLU 643 Cb 0.00 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.28 1h38 h GLU 643 CO 0.00 -0.02 -0.23 0.35 -0.73 0.00 0.00 179.01 178.38 1h38 h PHE 644 N -0.03 -0.56 -0.04 0.92 3.57 -1.97 0.21 116.94 119.04 1h38 h PHE 644 Ca 0.12 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1h38 h PHE 644 Cb 0.33 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1h38 h PHE 644 CO -0.98 -0.31 0.00 0.78 -2.23 0.00 0.00 178.31 175.57 1h38 h GLY 645 N -0.09 0.05 2.00 2.40 0.00 -1.28 -2.26 103.07 103.88 1h38 h GLY 645 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1h38 h GLY 645 CO -0.61 0.02 -0.06 0.74 0.00 0.00 0.00 176.54 176.62 1h38 h PHE 646 N 0.05 0.00 0.08 5.60 0.04 0.85 -3.22 116.94 120.34 1h38 h PHE 646 Ca 0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1h38 h PHE 646 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1h38 h PHE 646 CO 0.00 0.06 -0.04 0.00 -0.60 0.00 0.00 178.31 177.73 1h38 h ARG 647 N 0.00 -0.10 -0.67 1.51 3.08 -1.27 -0.89 114.38 116.03 1h38 h ARG 647 Ca -0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1h38 h ARG 647 Cb 0.55 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1h38 h ARG 647 CO 0.01 0.07 0.35 0.37 -1.07 0.00 0.00 179.97 179.69 1h38 h GLN 648 N -0.26 0.95 0.11 0.04 5.75 -1.71 -0.05 115.11 119.94 1h38 h GLN 648 Ca -0.01 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1h38 h GLN 648 Cb 0.22 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1h38 h GLN 648 CO 0.02 0.73 -0.21 1.96 -2.65 0.00 0.00 178.83 178.68 1h38 h GLN 649 N 0.92 -0.38 -0.12 1.69 4.20 -1.53 -0.57 115.11 119.32 1h38 h GLN 649 Ca 0.23 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.98 1h38 h GLN 649 Cb 0.08 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1h38 h GLN 649 CO -0.03 -0.25 0.05 0.28 -0.67 0.00 0.00 178.83 178.20 1h38 h VAL 650 N -0.40 0.98 -0.43 -0.54 2.07 -0.99 0.36 116.25 117.32 1h38 h VAL 650 Ca 0.03 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1h38 h VAL 650 Cb 0.42 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1h38 h VAL 650 CO -0.12 0.02 0.27 0.25 0.02 0.00 0.00 177.57 178.01 1h38 h LEU 651 N 0.11 0.50 -0.63 2.57 7.12 -0.70 -2.13 115.31 122.14 1h38 h LEU 651 Ca 0.05 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1h38 h LEU 651 Cb 0.02 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.02 1h38 h LEU 651 CO -0.04 0.37 -0.37 -1.84 -0.13 0.00 0.00 178.44 176.43 1h38 n GLU 652 N -4.46 2.03 -0.02 1.25 0.28 -0.25 -0.39 120.64 119.09 1h38 n GLU 652 Ca 0.03 -0.56 0.04 0.00 -0.16 0.00 0.00 57.16 56.52 1h38 n GLU 652 Cb 0.07 -1.18 -0.14 0.00 1.43 0.00 0.00 31.44 31.61 1h38 n GLU 652 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1h38 n ASP 653 N -0.45 0.17 0.02 -1.84 9.92 0.13 -4.52 116.55 119.98 1h38 n ASP 653 Ca 0.05 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1h38 n ASP 653 Cb 0.27 1.39 0.00 0.00 -0.64 0.00 0.00 41.12 42.14 1h38 n ASP 653 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1h38 n THR 654 N -2.50 0.02 -0.22 -3.53 -2.24 -0.87 -4.75 114.28 100.19 1h38 n THR 654 Ca -0.12 0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 1h38 n THR 654 Cb 0.75 -0.58 0.08 0.00 -2.10 0.00 0.00 70.33 68.48 1h38 n THR 654 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1h38 h ILE 655 N 0.00 0.99 0.21 2.28 2.04 -1.52 0.02 117.51 121.53 1h38 h ILE 655 Ca 0.00 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1h38 h ILE 655 Cb 0.07 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1h38 h ILE 655 CO 0.00 0.12 -0.10 -0.61 0.00 0.00 0.00 178.15 177.56 1h38 h GLN 656 N 0.68 -0.27 -1.07 2.37 4.15 -0.93 -2.90 115.11 117.13 1h38 h GLN 656 Ca 0.28 0.02 0.29 0.00 0.77 0.00 0.00 58.65 60.01 1h38 h GLN 656 Cb 0.14 0.06 -0.10 0.00 0.21 0.00 0.00 27.48 27.79 1h38 h GLN 656 CO -0.16 -0.18 0.68 -1.00 -1.93 0.00 0.00 178.83 176.24 1h38 h PRO 657 N -0.35 0.35 0.10 -2.39 0.13 -1.78 -0.63 132.00 127.43 1h38 h PRO 657 Ca -0.03 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1h38 h PRO 657 Cb 0.22 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.22 1h38 h PRO 657 CO 0.05 0.23 -0.53 0.00 -0.23 0.00 0.00 178.00 177.52 1h38 h ALA 658 N 1.64 -0.97 0.26 -0.56 0.00 -0.95 0.17 119.26 118.85 1h38 h ALA 658 Ca 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1h38 h ALA 658 Cb 1.64 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 20.31 1h38 h ALA 658 CO -0.34 -1.12 -0.29 0.82 0.00 0.00 0.00 179.25 178.32 1h38 h ILE 659 N -0.74 0.39 0.00 0.00 2.04 -0.94 -1.33 117.51 116.93 1h38 h ILE 659 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1h38 h ILE 659 Cb 0.75 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1h38 h ILE 659 CO -0.30 0.00 0.02 0.44 0.00 0.00 0.00 178.15 178.31 1h38 h ASP 660 N -0.59 0.00 -0.45 1.72 3.32 -1.11 -0.68 116.42 118.64 1h38 h ASP 660 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h38 h ASP 660 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1h38 h ASP 660 CO -0.08 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.24 1h38 n SER 661 N -2.87 3.38 0.00 6.45 7.64 0.58 -4.95 113.62 123.85 1h38 n SER 661 Ca -0.03 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1h38 n SER 661 Cb 0.08 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1h38 n SER 661 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h38 n GLY 662 N 1.50 3.20 0.00 0.23 0.00 -0.26 -5.04 105.19 104.82 1h38 n GLY 662 Ca 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1h38 n GLY 662 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h38 n LYS 663 N 0.00 2.33 -0.60 1.61 4.81 -0.58 -4.38 118.16 121.36 1h38 n LYS 663 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1h38 n LYS 663 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1h38 n LYS 663 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h38 n GLY 664 N 1.14 0.57 0.41 3.14 0.00 -1.24 -3.54 105.19 105.67 1h38 n GLY 664 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 1h38 n GLY 664 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h38 h LEU 665 N 0.00 0.18 -1.43 0.99 3.38 -1.90 0.24 115.31 116.77 1h38 h LEU 665 Ca 0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1h38 h LEU 665 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1h38 h LEU 665 CO 0.00 0.08 -0.29 0.00 0.09 0.00 0.00 178.44 178.33 1h38 h MET 666 N 0.19 0.00 -4.23 1.13 -0.00 -1.92 -3.36 114.93 106.73 1h38 h MET 666 Ca 0.38 0.00 -0.71 0.00 -0.00 0.00 0.00 59.70 59.38 1h38 h MET 666 Cb 1.23 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.78 1h38 h MET 666 CO -0.07 0.29 3.01 1.19 -0.00 0.00 0.00 176.91 181.32 1h38 n PHE 667 N -3.99 3.68 0.04 -0.10 3.72 0.83 -4.77 117.46 116.88 1h38 n PHE 667 Ca -0.02 -2.96 -0.12 0.00 -0.05 0.00 0.00 57.45 54.30 1h38 n PHE 667 Cb 0.35 -2.56 -0.07 0.00 -0.94 0.00 0.00 39.48 36.26 1h38 n PHE 667 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1h38 h THR 668 N 4.20 1.02 -3.01 4.37 2.02 -1.80 -3.32 112.91 116.39 1h38 h THR 668 Ca 0.55 -0.09 -0.70 0.00 0.77 0.00 0.00 66.41 66.94 1h38 h THR 668 Cb 0.67 1.08 -0.36 0.00 -1.74 0.00 0.00 68.15 67.80 1h38 h THR 668 CO 1.83 0.02 -0.05 0.00 0.37 0.00 0.00 175.52 177.70 1h38 n GLN 669 N -5.08 2.93 -0.27 6.66 3.00 -1.26 -4.98 117.38 118.38 1h38 n GLN 669 Ca -0.07 -4.54 -0.04 0.00 -0.01 0.00 0.00 57.00 52.34 1h38 n GLN 669 Cb 0.06 -2.40 -0.02 0.00 0.00 0.00 0.00 30.24 27.88 1h38 n GLN 669 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1h38 n PRO 670 N 1.81 -0.23 -0.16 -1.09 -0.02 -1.25 0.10 135.00 134.17 1h38 n PRO 670 Ca 0.24 1.01 -0.05 0.00 -2.02 0.00 0.00 63.50 62.69 1h38 n PRO 670 Cb 0.37 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.40 1h38 n PRO 670 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1h38 h ASN 671 N 0.00 0.40 -0.59 2.55 4.21 -1.95 0.29 115.58 120.49 1h38 h ASN 671 Ca 0.17 0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.65 1h38 h ASN 671 Cb 0.33 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.45 1h38 h ASN 671 CO -0.64 0.28 0.19 1.56 -1.29 0.00 0.00 177.43 177.53 1h38 h GLN 672 N 0.53 0.95 -0.09 0.81 4.20 -0.76 -0.17 115.11 120.58 1h38 h GLN 672 Ca 0.21 -0.18 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 1h38 h GLN 672 Cb 0.09 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1h38 h GLN 672 CO -0.13 0.82 -0.76 0.00 -0.67 0.00 0.00 178.83 178.09 1h38 h ALA 673 N 1.29 0.52 -0.32 3.87 0.00 -0.47 -2.23 119.26 121.92 1h38 h ALA 673 Ca 0.21 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1h38 h ALA 673 Cb 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1h38 h ALA 673 CO -0.01 0.75 -0.21 0.00 0.00 0.00 0.00 179.25 179.78 1h38 h ALA 674 N 0.84 0.46 -0.60 0.00 0.00 -0.10 -2.06 119.26 117.80 1h38 h ALA 674 Ca -0.04 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1h38 h ALA 674 Cb 1.35 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1h38 h ALA 674 CO 0.14 0.42 0.36 0.78 0.00 0.00 0.00 179.25 180.95 1h38 h GLY 675 N 0.48 0.86 0.82 0.00 0.00 -1.04 0.81 103.07 105.00 1h38 h GLY 675 Ca 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1h38 h GLY 675 CO 0.06 0.22 -0.21 -1.82 0.00 0.00 0.00 176.54 174.79 1h38 h TYR 676 N 0.71 -0.55 -0.65 5.60 3.20 -1.35 -1.54 116.97 122.40 1h38 h TYR 676 Ca 0.24 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1h38 h TYR 676 Cb 0.04 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1h38 h TYR 676 CO -0.06 -0.32 0.36 1.98 -1.64 0.00 0.00 178.16 178.48 1h38 h MET 677 N -0.49 0.89 -0.46 1.82 4.05 -0.98 -0.90 114.93 118.87 1h38 h MET 677 Ca -0.02 -0.09 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1h38 h MET 677 Cb 0.43 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 1h38 h MET 677 CO -0.01 0.65 0.23 0.00 0.23 0.00 0.00 176.91 178.01 1h38 h ALA 678 N 1.50 0.57 -0.41 0.39 0.00 -0.58 0.83 119.26 121.57 1h38 h ALA 678 Ca 0.23 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1h38 h ALA 678 Cb 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1h38 h ALA 678 CO -0.04 -0.11 -0.05 -0.22 0.00 0.00 0.00 179.25 178.83 1h38 h LYS 679 N 0.47 0.05 -0.27 0.00 1.63 -0.17 0.34 116.57 118.61 1h38 h LYS 679 Ca 0.20 -0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.84 1h38 h LYS 679 Cb 0.09 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1h38 h LYS 679 CO -0.13 0.03 -0.45 -0.07 -3.45 0.00 0.00 179.45 175.39 1h38 h LEU 680 N 0.05 0.73 -0.74 5.20 4.07 -0.40 -1.27 115.31 122.95 1h38 h LEU 680 Ca 0.20 -0.35 -0.13 0.00 0.08 0.00 0.00 57.88 57.69 1h38 h LEU 680 Cb 0.30 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1h38 h LEU 680 CO -0.38 1.07 -0.40 0.40 -1.08 0.00 0.00 178.44 178.05 1h38 h ILE 681 N 0.55 1.30 -0.37 1.22 2.04 0.15 -0.88 117.51 121.52 1h38 h ILE 681 Ca 0.04 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 64.22 1h38 h ILE 681 Cb 0.99 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1h38 h ILE 681 CO 0.09 0.48 -0.24 -0.25 0.00 0.00 0.00 178.15 178.23 1h38 h TRP 682 N 0.40 0.97 -0.38 1.37 2.91 -0.18 -1.50 115.95 119.53 1h38 h TRP 682 Ca 0.04 -0.26 -0.03 0.00 1.13 0.00 0.00 58.89 59.77 1h38 h TRP 682 Cb 0.88 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.30 1h38 h TRP 682 CO 0.03 1.03 0.13 0.93 -1.03 0.00 0.00 178.44 179.53 1h38 h GLU 683 N 0.62 0.55 0.04 2.65 5.08 -1.07 -1.68 114.58 120.77 1h38 h GLU 683 Ca 0.08 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1h38 h GLU 683 Cb 0.81 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1h38 h GLU 683 CO 0.07 0.48 -1.00 0.77 -1.00 0.00 0.00 179.01 178.32 1h38 h SER 684 N 0.55 0.24 0.49 1.42 0.02 -0.89 -3.25 113.55 112.12 1h38 h SER 684 Ca 0.13 -0.23 -0.30 0.00 -0.84 0.00 0.00 61.79 60.56 1h38 h SER 684 Cb 0.15 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1h38 h SER 684 CO -0.01 1.10 -1.43 -0.37 -1.14 0.00 0.00 176.83 174.98 1h38 h VAL 685 N 0.07 1.29 0.00 2.27 -1.51 -1.15 -3.13 116.25 114.10 1h38 h VAL 685 Ca -0.06 -2.87 0.00 0.00 -1.23 0.00 0.00 66.70 62.54 1h38 h VAL 685 Cb 1.69 2.87 0.00 0.00 -2.13 0.00 0.00 31.29 33.72 1h38 h VAL 685 CO 0.15 0.85 0.00 -1.54 -1.23 0.00 0.00 177.57 175.80 1h38 n SER 686 N -3.52 0.57 -0.33 4.19 3.41 -0.65 -0.86 113.62 116.44 1h38 n SER 686 Ca -0.14 0.76 0.03 0.00 -0.26 0.00 0.00 58.87 59.27 1h38 n SER 686 Cb 1.05 -0.84 0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1h38 n SER 686 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1h38 n VAL 687 N -2.26 0.55 -0.06 -3.33 0.24 -1.22 -3.94 118.33 108.30 1h38 n VAL 687 Ca -0.01 -0.77 -0.07 0.00 -2.04 0.00 0.00 64.34 61.45 1h38 n VAL 687 Cb 0.04 0.79 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 1h38 n VAL 687 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1h38 n THR 688 N 0.22 0.84 -3.02 3.34 -1.04 -0.04 -4.69 114.28 109.90 1h38 n THR 688 Ca 0.05 -0.49 -0.20 0.00 -2.04 0.00 0.00 64.05 61.37 1h38 n THR 688 Cb 0.27 -0.73 -0.02 0.00 -1.82 0.00 0.00 70.33 68.03 1h38 n THR 688 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1h38 n VAL 689 N -2.52 1.03 -0.23 12.58 0.24 -0.33 -2.27 118.33 126.83 1h38 n VAL 689 Ca -0.21 -4.71 0.03 0.00 -2.04 0.00 0.00 64.34 57.41 1h38 n VAL 689 Cb 0.88 -0.53 0.14 0.00 -1.47 0.00 0.00 33.84 32.86 1h38 n VAL 689 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1h38 h VAL 690 N 1.88 0.48 -0.02 3.34 2.07 -1.75 -2.19 116.25 120.06 1h38 h VAL 690 Ca 0.10 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1h38 h VAL 690 Cb 0.86 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1h38 h VAL 690 CO 0.61 0.03 -0.09 0.00 0.02 0.00 0.00 177.57 178.14 1h38 h ALA 691 N 1.60 -0.08 -0.99 1.67 0.00 -1.91 -1.24 119.26 118.31 1h38 h ALA 691 Ca 0.37 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.41 1h38 h ALA 691 Cb 0.62 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1h38 h ALA 691 CO -0.54 -0.58 0.62 0.00 0.00 0.00 0.00 179.25 178.75 1h38 h ALA 692 N 0.85 1.48 -0.24 0.00 0.00 -1.67 -0.95 119.26 118.74 1h38 h ALA 692 Ca 0.04 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1h38 h ALA 692 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1h38 h ALA 692 CO -0.10 0.22 -0.13 0.28 0.00 0.00 0.00 179.25 179.52 1h38 h VAL 693 N 0.98 1.30 0.43 0.00 2.07 -1.12 -2.87 116.25 117.06 1h38 h VAL 693 Ca 0.49 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1h38 h VAL 693 Cb 0.47 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1h38 h VAL 693 CO -0.26 0.38 -0.21 -0.33 0.02 0.00 0.00 177.57 177.17 1h38 h GLU 694 N 0.22 -0.56 -0.63 1.57 5.08 -0.69 -2.33 114.58 117.24 1h38 h GLU 694 Ca 0.05 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.58 1h38 h GLU 694 Cb 0.64 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.90 1h38 h GLU 694 CO 0.04 -0.25 -0.06 0.00 -1.00 0.00 0.00 179.01 177.74 1h38 h ALA 695 N -0.56 0.55 -0.83 3.43 0.00 -1.29 0.11 119.26 120.67 1h38 h ALA 695 Ca -0.06 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1h38 h ALA 695 Cb 0.57 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1h38 h ALA 695 CO 0.10 -0.41 0.45 0.52 0.00 0.00 0.00 179.25 179.90 1h38 h MET 696 N 0.07 1.16 -0.40 0.00 2.86 -1.53 0.14 114.93 117.23 1h38 h MET 696 Ca 0.32 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1h38 h MET 696 Cb 0.52 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1h38 h MET 696 CO -0.58 0.85 0.23 -0.91 1.06 0.00 0.00 176.91 177.55 1h38 h ASN 697 N 1.16 0.48 0.93 1.22 2.35 -0.31 0.16 115.58 121.58 1h38 h ASN 697 Ca 0.29 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1h38 h ASN 697 Cb 0.03 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.29 1h38 h ASN 697 CO -0.05 0.42 -0.45 -0.25 -1.65 0.00 0.00 177.43 175.45 1h38 h TRP 698 N 0.51 -1.16 -1.10 1.19 7.01 -0.54 -1.04 115.95 120.83 1h38 h TRP 698 Ca 0.14 -0.03 0.30 0.00 2.11 0.00 0.00 58.89 61.42 1h38 h TRP 698 Cb 0.03 0.38 -0.09 0.00 -2.10 0.00 0.00 29.16 27.38 1h38 h TRP 698 CO -0.03 -0.72 0.72 -0.07 -2.79 0.00 0.00 178.44 175.55 1h38 h LEU 699 N -1.30 0.36 -0.47 0.65 3.38 -0.87 0.66 115.31 117.72 1h38 h LEU 699 Ca -0.13 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 1h38 h LEU 699 Cb 0.96 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1h38 h LEU 699 CO 0.21 0.03 -0.59 0.50 0.09 0.00 0.00 178.44 178.68 1h38 h LYS 700 N 0.29 0.56 -0.41 1.13 3.64 -0.63 -2.48 116.57 118.68 1h38 h LYS 700 Ca 0.63 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1h38 h LYS 700 Cb 1.78 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.63 1h38 h LYS 700 CO -0.28 0.99 0.15 0.77 -2.27 0.00 0.00 179.45 178.80 1h38 h SER 701 N 0.42 0.59 0.58 4.20 0.02 0.16 -1.63 113.55 117.89 1h38 h SER 701 Ca -0.00 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1h38 h SER 701 Cb 1.15 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.54 1h38 h SER 701 CO 0.11 0.62 -0.28 0.00 -1.14 0.00 0.00 176.83 176.14 1h38 h ALA 702 N 0.99 -0.78 -0.73 3.77 0.00 -1.09 -2.35 119.26 119.07 1h38 h ALA 702 Ca 0.14 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1h38 h ALA 702 Cb 0.23 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1h38 h ALA 702 CO -0.01 -0.93 0.49 0.00 0.00 0.00 0.00 179.25 178.80 1h38 h ALA 703 N -0.39 2.01 0.30 0.00 0.00 -1.40 -1.86 119.26 117.91 1h38 h ALA 703 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1h38 h ALA 703 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1h38 h ALA 703 CO 0.13 -0.19 -0.14 -0.22 0.00 0.00 0.00 179.25 178.82 1h38 h LYS 704 N 0.48 -0.39 0.23 0.00 3.64 -0.87 -1.09 116.57 118.58 1h38 h LYS 704 Ca 0.35 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1h38 h LYS 704 Cb 0.70 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1h38 h LYS 704 CO -0.12 -0.17 -0.21 -0.07 -2.27 0.00 0.00 179.45 176.61 1h38 h LEU 705 N -0.53 -0.58 -1.84 5.20 3.38 -0.90 -1.96 115.31 118.08 1h38 h LEU 705 Ca -0.04 0.04 0.41 0.00 0.09 0.00 0.00 57.88 58.38 1h38 h LEU 705 Cb 0.39 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 1h38 h LEU 705 CO 0.07 -0.29 0.98 -0.07 0.09 0.00 0.00 178.44 179.22 1h38 h LEU 706 N -0.44 0.08 -1.49 1.67 3.38 -1.40 0.75 115.31 117.86 1h38 h LEU 706 Ca -0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h38 h LEU 706 Cb 0.38 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1h38 h LEU 706 CO -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.50 1h38 n ALA 707 N -2.74 2.50 -1.91 1.53 0.00 -0.41 0.03 120.51 119.50 1h38 n ALA 707 Ca 0.32 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 1h38 n ALA 707 Cb 1.44 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 19.90 1h38 n ALA 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h38 s ALA 708 N -1.82 3.07 -0.79 0.00 0.00 0.26 -4.65 121.76 117.83 1h38 s ALA 708 Ca 0.34 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1h38 s ALA 708 Cb 0.20 -3.01 0.28 0.00 0.00 0.00 0.00 23.12 20.59 1h38 s ALA 708 CO 0.30 -0.80 1.07 -1.91 0.00 0.00 0.00 175.76 174.42 1h38 n GLU 709 N -2.78 3.42 -1.68 0.00 2.13 -1.26 -3.44 120.64 117.03 1h38 n GLU 709 Ca 0.06 -4.67 -0.44 0.00 0.66 0.00 0.00 57.16 52.76 1h38 n GLU 709 Cb 0.55 -2.35 -0.04 0.00 0.27 0.00 0.00 31.44 29.88 1h38 n GLU 709 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1h38 n VAL 710 N 0.76 0.34 -4.18 6.31 3.14 -1.15 -4.91 118.33 118.63 1h38 n VAL 710 Ca 0.30 -0.06 -0.11 0.00 -2.96 0.00 0.00 64.34 61.51 1h38 n VAL 710 Cb 0.37 -1.94 -0.10 0.00 -1.06 0.00 0.00 33.84 31.11 1h38 n VAL 710 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1h38 s LYS 711 N 2.64 1.04 -0.43 1.45 1.02 -1.26 -1.43 119.74 122.77 1h38 s LYS 711 Ca 0.84 -1.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.13 1h38 s LYS 711 Cb -0.57 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 36.94 1h38 s LYS 711 CO 0.41 -0.28 0.47 0.34 -0.92 0.00 0.00 175.35 175.36 1h38 s ASP 712 N -3.10 6.21 -1.57 2.83 2.15 -0.76 -4.90 116.67 117.52 1h38 s ASP 712 Ca 0.29 -0.68 -0.11 0.00 0.43 0.00 0.00 52.55 52.48 1h38 s ASP 712 Cb 0.07 -2.24 -0.07 0.00 -0.30 0.00 0.00 42.92 40.39 1h38 s ASP 712 CO 0.05 -0.62 2.81 1.17 -0.17 0.00 0.00 175.17 178.41 1h38 n LYS 713 N 5.69 3.50 0.00 4.34 3.00 -1.26 0.40 118.16 133.83 1h38 n LYS 713 Ca -0.07 -2.24 0.00 0.00 -0.00 0.00 0.00 58.31 56.00 1h38 n LYS 713 Cb 0.47 -2.87 0.00 0.00 0.00 0.00 0.00 35.03 32.63 1h38 n LYS 713 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1h38 n LYS 714 N 4.04 0.91 0.00 1.64 4.76 -1.26 -4.83 118.16 123.42 1h38 n LYS 714 Ca 0.73 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 1h38 n LYS 714 Cb 0.25 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 1h38 n LYS 714 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1h38 n THR 715 N 0.00 0.00 -1.35 -0.18 -1.04 -0.41 -5.00 114.28 106.30 1h38 n THR 715 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1h38 n THR 715 Cb 0.00 0.01 -0.05 0.00 -1.82 0.00 0.00 70.33 68.47 1h38 n THR 715 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h38 n GLY 716 N 0.21 1.27 3.79 3.41 0.00 0.16 -4.96 105.19 109.07 1h38 n GLY 716 Ca 0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1h38 n GLY 716 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h38 s GLU 717 N -2.91 4.46 -0.50 1.61 2.12 -1.23 -4.86 118.70 117.39 1h38 s GLU 717 Ca 0.00 1.04 -0.28 0.00 0.36 0.00 0.00 54.97 56.08 1h38 s GLU 717 Cb 0.00 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.17 1h38 s GLU 717 CO 0.00 0.59 1.13 0.42 -0.54 0.00 0.00 175.26 176.86 1h38 s ILE 718 N -1.14 4.20 0.08 -3.70 1.01 -1.26 -1.83 121.20 118.55 1h38 s ILE 718 Ca 0.34 1.10 -0.05 0.00 0.00 0.00 0.00 60.65 62.05 1h38 s ILE 718 Cb -0.22 -4.61 -0.28 0.00 0.01 0.00 0.00 42.46 37.35 1h38 s ILE 718 CO 0.24 -1.06 1.14 -0.07 0.00 0.00 0.00 174.94 175.19 1h38 h LEU 719 N 11.30 0.43 -7.09 2.97 4.07 -1.59 -3.45 115.31 121.95 1h38 h LEU 719 Ca -0.23 -0.46 -0.20 0.00 0.08 0.00 0.00 57.88 57.06 1h38 h LEU 719 Cb 1.06 -0.14 -0.32 0.00 1.08 0.00 0.00 40.66 42.34 1h38 h LEU 719 CO 1.13 1.36 -0.51 -0.60 -1.08 0.00 0.00 178.44 178.74 1h38 s ARG 720 N -2.67 0.20 0.89 1.13 3.52 -1.04 -5.06 118.95 115.91 1h38 s ARG 720 Ca -0.04 0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 56.17 1h38 s ARG 720 Cb 0.07 -0.12 0.12 0.00 -1.56 0.00 0.00 34.95 33.46 1h38 s ARG 720 CO 0.88 -0.35 1.09 0.21 -0.81 0.00 0.00 175.30 176.33 1h38 s LYS 721 N 2.45 1.34 -0.10 5.12 2.20 -1.26 -2.95 119.74 126.53 1h38 s LYS 721 Ca 0.02 0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 56.08 1h38 s LYS 721 Cb -0.13 -1.82 -0.05 0.00 -1.51 0.00 0.00 37.83 34.32 1h38 s LYS 721 CO -0.10 -2.16 1.72 -0.98 -0.36 0.00 0.00 175.35 173.47 1h38 s ARG 722 N -4.99 3.99 0.11 4.03 1.70 -1.22 -4.82 118.95 117.74 1h38 s ARG 722 Ca 0.63 2.08 -0.04 0.00 -0.47 0.00 0.00 55.73 57.93 1h38 s ARG 722 Cb -0.17 -4.05 -0.05 0.00 -0.57 0.00 0.00 34.95 30.11 1h38 s ARG 722 CO 0.56 -1.08 0.34 0.00 -1.08 0.00 0.00 175.30 174.04 1h38 s ALA 724 N -1.59 2.37 -0.16 0.00 0.00 -1.26 -3.73 121.76 117.39 1h38 s ALA 724 Ca 0.38 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 1h38 s ALA 724 Cb -0.12 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 1h38 s ALA 724 CO 0.24 -2.04 -0.14 0.08 0.00 0.00 0.00 175.76 173.91 1h38 s VAL 725 N -3.63 2.82 0.05 0.00 1.01 -0.53 -4.94 120.40 115.18 1h38 s VAL 725 Ca 0.66 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1h38 s VAL 725 Cb -0.09 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1h38 s VAL 725 CO 0.51 0.51 -0.18 -2.28 0.00 0.00 0.00 175.10 173.65 1h38 s HIS 726 N 0.77 1.60 0.34 5.22 5.04 -1.26 -0.44 115.29 126.55 1h38 s HIS 726 Ca -0.05 -0.37 -0.12 0.00 -1.54 0.00 0.00 55.06 52.97 1h38 s HIS 726 Cb -0.15 -0.94 0.02 0.00 0.04 0.00 0.00 32.58 31.55 1h38 s HIS 726 CO 0.01 0.09 0.63 1.67 -2.34 0.00 0.00 174.74 174.80 1h38 s TRP 727 N -0.87 0.41 -0.05 3.88 -2.14 -0.86 -4.72 118.94 114.59 1h38 s TRP 727 Ca 0.05 -0.87 -0.01 0.00 2.66 0.00 0.00 56.10 57.93 1h38 s TRP 727 Cb -0.09 0.43 0.03 0.00 -3.10 0.00 0.00 33.47 30.74 1h38 s TRP 727 CO 0.02 -1.30 0.02 0.08 -2.66 0.00 0.00 176.95 173.11 1h38 s VAL 728 N -3.02 0.16 0.70 -0.66 1.01 -1.26 -1.31 120.40 116.01 1h38 s VAL 728 Ca 0.21 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1h38 s VAL 728 Cb -0.03 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1h38 s VAL 728 CO 0.13 0.19 1.25 0.42 0.00 0.00 0.00 175.10 177.09 1h38 s THR 729 N 1.67 2.15 0.46 3.92 -4.23 0.32 -4.87 115.64 115.07 1h38 s THR 729 Ca -0.01 0.08 0.27 0.00 -1.18 0.00 0.00 61.69 60.85 1h38 s THR 729 Cb -0.13 -2.83 0.47 0.00 1.34 0.00 0.00 72.50 71.36 1h38 s THR 729 CO -0.03 -0.03 1.77 -0.65 -0.54 0.00 0.00 174.62 175.14 1h38 h PRO 730 N 0.06 0.20 -0.70 3.99 0.11 -1.92 0.80 132.00 134.53 1h38 h PRO 730 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h38 h PRO 730 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1h38 h PRO 730 CO 0.51 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 1h38 n ASP 731 N -4.44 4.41 0.00 -2.05 5.75 -1.26 -4.91 116.55 114.04 1h38 n ASP 731 Ca 0.26 -2.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1h38 n ASP 731 Cb 1.08 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1h38 n ASP 731 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h38 n GLY 732 N 0.45 0.48 3.68 6.12 0.00 0.27 -4.24 105.19 111.95 1h38 n GLY 732 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1h38 n GLY 732 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h38 s PHE 733 N -2.19 3.46 0.08 1.61 5.36 -1.24 -4.78 117.98 120.27 1h38 s PHE 733 Ca 0.00 1.49 -0.12 0.00 -0.96 0.00 0.00 56.93 57.34 1h38 s PHE 733 Cb 0.00 -3.16 -0.06 0.00 -0.34 0.00 0.00 43.02 39.46 1h38 s PHE 733 CO 0.00 -0.28 0.45 -1.25 -1.46 0.00 0.00 175.22 172.68 1h38 s PRO 734 N 2.27 3.86 0.03 10.12 0.04 -1.26 -0.52 135.00 149.54 1h38 s PRO 734 Ca 0.45 0.32 0.04 0.00 0.04 0.00 0.00 61.00 61.85 1h38 s PRO 734 Cb -0.17 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 1h38 s PRO 734 CO 0.14 0.57 -0.11 0.54 0.04 0.00 0.00 177.00 178.18 1h38 s VAL 735 N -1.34 0.86 -0.21 -0.36 0.11 -0.42 -4.98 120.40 114.05 1h38 s VAL 735 Ca 0.32 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1h38 s VAL 735 Cb -0.15 -0.79 0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1h38 s VAL 735 CO 0.17 -0.02 -0.06 0.26 -3.33 0.00 0.00 175.10 172.13 1h38 s TRP 736 N -0.76 2.15 -0.32 1.54 0.51 -1.26 -2.02 118.94 118.78 1h38 s TRP 736 Ca -0.00 -1.52 -0.21 0.00 -2.12 0.00 0.00 56.10 52.25 1h38 s TRP 736 Cb -0.07 -1.49 -0.00 0.00 -0.81 0.00 0.00 33.47 31.09 1h38 s TRP 736 CO 0.01 -0.72 0.66 -1.14 -0.51 0.00 0.00 176.95 175.24 1h38 s GLN 737 N 1.48 3.84 -0.40 4.98 0.74 0.42 -4.95 119.66 125.77 1h38 s GLN 737 Ca -0.03 0.27 0.08 0.00 0.05 0.00 0.00 55.36 55.73 1h38 s GLN 737 Cb -0.17 -3.75 0.25 0.00 1.10 0.00 0.00 33.01 30.44 1h38 s GLN 737 CO -0.07 -0.64 0.56 -1.91 -0.55 0.00 0.00 175.29 172.68 1h38 n GLU 738 N 5.98 0.72 -2.27 1.67 2.13 -1.26 -1.45 120.64 126.17 1h38 n GLU 738 Ca -0.00 -3.08 -0.43 0.00 0.66 0.00 0.00 57.16 54.31 1h38 n GLU 738 Cb 0.49 -1.25 -0.02 0.00 0.27 0.00 0.00 31.44 30.92 1h38 n GLU 738 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1h38 s TYR 739 N -1.04 2.52 -0.07 4.31 2.02 -1.26 -4.94 117.35 118.90 1h38 s TYR 739 Ca 0.35 0.70 -0.02 0.00 -0.37 0.00 0.00 57.07 57.72 1h38 s TYR 739 Cb 0.18 -3.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.04 1h38 s TYR 739 CO -0.12 -2.52 0.05 0.15 -1.57 0.00 0.00 175.55 171.55 1h38 s LYS 740 N 3.69 3.10 -0.16 -0.62 1.02 -1.26 0.20 119.74 125.71 1h38 s LYS 740 Ca 0.62 -0.38 -0.03 0.00 0.02 0.00 0.00 55.97 56.20 1h38 s LYS 740 Cb -0.26 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 1h38 s LYS 740 CO 0.20 0.70 -0.06 0.21 -0.92 0.00 0.00 175.35 175.48 1h38 s LYS 741 N -1.19 3.53 0.54 1.68 2.20 0.44 -4.68 119.74 122.26 1h38 s LYS 741 Ca 0.17 -0.59 -0.17 0.00 -0.36 0.00 0.00 55.97 55.02 1h38 s LYS 741 Cb -0.12 -2.86 -0.06 0.00 -1.51 0.00 0.00 37.83 33.29 1h38 s LYS 741 CO 0.06 0.15 1.02 -2.14 -0.36 0.00 0.00 175.35 174.08 1h38 s PRO 742 N 0.58 3.68 -0.00 4.03 0.02 -1.26 -1.36 135.00 140.69 1h38 s PRO 742 Ca -0.04 1.10 0.19 0.00 0.02 0.00 0.00 61.00 62.27 1h38 s PRO 742 Cb -0.15 -2.09 0.56 0.00 0.02 0.00 0.00 34.50 32.84 1h38 s PRO 742 CO 0.03 -0.51 1.47 -0.89 -0.33 0.00 0.00 177.00 176.77 1h38 n ILE 743 N -1.69 0.88 -1.79 2.83 5.41 -1.20 -4.91 119.36 118.90 1h38 n ILE 743 Ca 0.08 -0.85 -0.18 0.00 1.00 0.00 0.00 62.75 62.79 1h38 n ILE 743 Cb 0.53 0.41 0.12 0.00 -0.71 0.00 0.00 39.64 39.99 1h38 n ILE 743 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1h38 n GLN 744 N 1.33 -0.63 0.00 0.38 6.02 -1.26 -5.11 117.38 118.11 1h38 n GLN 744 Ca 0.21 -1.43 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 1h38 n GLN 744 Cb 0.54 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 31.02 1h38 n GLN 744 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1h38 n THR 745 N -3.01 0.00 -2.73 5.09 -2.24 -1.26 -5.10 114.28 105.03 1h38 n THR 745 Ca 0.11 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1h38 n THR 745 Cb 0.38 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.64 1h38 n THR 745 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h38 n ARG 746 N 0.00 0.49 -2.97 -0.78 1.74 -1.26 -4.93 116.66 108.94 1h38 n ARG 746 Ca 0.00 -1.58 -0.42 0.00 -0.77 0.00 0.00 57.85 55.07 1h38 n ARG 746 Cb 0.00 -1.06 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 1h38 n ARG 746 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1h38 s LEU 747 N 0.29 4.19 0.35 0.55 2.96 -1.26 -2.70 118.68 123.06 1h38 s LEU 747 Ca 0.29 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1h38 s LEU 747 Cb 0.12 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 1h38 s LEU 747 CO -0.12 -0.79 0.56 0.21 -1.32 0.00 0.00 176.35 174.88 1h38 s ASN 748 N 1.96 6.31 0.00 3.68 2.47 -1.25 -4.96 114.94 123.14 1h38 s ASN 748 Ca 0.30 0.50 0.00 0.00 0.42 0.00 0.00 52.86 54.08 1h38 s ASN 748 Cb -0.13 -2.05 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 1h38 s ASN 748 CO 0.19 -0.30 0.00 0.18 -3.72 0.00 0.00 177.10 173.45 1h38 n LEU 749 N -1.71 1.46 -0.92 3.21 7.99 -1.26 -4.71 117.00 121.06 1h38 n LEU 749 Ca -0.04 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.07 1h38 n LEU 749 Cb 0.56 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 43.98 1h38 n LEU 749 CO 0.49 0.00 0.62 0.23 -1.51 0.00 0.00 177.39 177.22 1h38 n MET 750 N -0.37 2.16 0.00 3.23 2.81 -1.26 -4.75 117.12 118.93 1h38 n MET 750 Ca 0.00 -1.89 0.00 0.00 -1.81 0.00 0.00 57.70 54.00 1h38 n MET 750 Cb 0.00 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1h38 n MET 750 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1h38 n PHE 751 N 1.28 0.00 0.00 2.03 3.01 -1.26 -4.69 117.46 117.83 1h38 n PHE 751 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1h38 n PHE 751 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1h38 n PHE 751 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1h38 n LEU 752 N -2.37 0.00 0.00 4.37 4.32 -1.26 -5.05 117.00 117.01 1h38 n LEU 752 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1h38 n LEU 752 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1h38 n LEU 752 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1h38 n GLY 753 N 0.00 0.96 0.00 -0.72 0.00 -1.26 -3.90 105.19 100.27 1h38 n GLY 753 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1h38 n GLY 753 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h38 n GLN 754 N 0.00 0.00 -0.36 1.61 1.13 -1.10 -4.61 117.38 114.06 1h38 n GLN 754 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1h38 n GLN 754 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 1h38 n GLN 754 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1h38 n PHE 755 N 0.00 -1.73 0.00 1.08 -1.74 -1.26 -4.31 117.46 109.50 1h38 n PHE 755 Ca 0.00 0.01 0.00 0.00 -0.56 0.00 0.00 57.45 56.90 1h38 n PHE 755 Cb 0.00 -0.51 0.00 0.00 1.52 0.00 0.00 39.48 40.49 1h38 n PHE 755 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1h38 n ARG 756 N 0.83 0.00 -0.03 3.97 0.63 -1.26 -4.84 116.66 115.95 1h38 n ARG 756 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1h38 n ARG 756 Cb 0.19 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.10 1h38 n ARG 756 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1h38 n ASP 766 N -1.37 0.00 -3.85 6.15 8.00 -1.26 -5.04 116.55 119.18 1h38 n ASP 766 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1h38 n ASP 766 Cb 0.00 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 1h38 n ASP 766 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h38 s SER 767 N -0.14 0.04 0.19 -2.24 1.04 -1.26 -3.21 113.70 108.12 1h38 s SER 767 Ca 0.00 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.16 1h38 s SER 767 Cb 0.00 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 1h38 s SER 767 CO 0.00 -0.52 -0.14 -1.83 0.98 0.00 0.00 173.24 171.72 1h38 s GLU 768 N -2.37 1.27 0.22 4.02 -1.05 -0.46 -4.86 118.70 115.46 1h38 s GLU 768 Ca -0.07 -1.52 -0.32 0.00 -0.15 0.00 0.00 54.97 52.91 1h38 s GLU 768 Cb -0.02 -1.08 -0.14 0.00 -0.44 0.00 0.00 34.13 32.45 1h38 s GLU 768 CO -0.03 0.18 1.34 -0.89 0.95 0.00 0.00 175.26 176.82 1h38 n ILE 769 N -0.20 0.93 -2.83 1.83 -0.00 -1.26 0.17 119.36 117.99 1h38 n ILE 769 Ca -0.09 -0.23 -0.43 0.00 -0.00 0.00 0.00 62.75 61.99 1h38 n ILE 769 Cb 0.60 -1.30 -0.03 0.00 -0.00 0.00 0.00 39.64 38.90 1h38 n ILE 769 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1h38 s ASP 770 N 0.21 6.33 0.25 4.38 -1.08 0.55 -4.62 116.67 122.70 1h38 s ASP 770 Ca 0.70 -1.30 -0.03 0.00 -0.52 0.00 0.00 52.55 51.39 1h38 s ASP 770 Cb -0.70 -2.44 0.47 0.00 -1.46 0.00 0.00 42.92 38.79 1h38 s ASP 770 CO 0.50 -1.37 1.75 0.00 0.52 0.00 0.00 175.17 176.58 1h38 h ALA 771 N 9.41 1.14 0.08 3.66 0.00 -1.85 0.28 119.26 131.98 1h38 h ALA 771 Ca -0.12 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1h38 h ALA 771 Cb 1.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1h38 h ALA 771 CO 1.19 -0.14 -0.04 0.45 0.00 0.00 0.00 179.25 180.71 1h38 h HIS 772 N 0.54 -0.10 -0.45 0.00 3.86 -1.95 -0.74 115.15 116.32 1h38 h HIS 772 Ca 0.43 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.60 1h38 h HIS 772 Cb 0.60 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 1h38 h HIS 772 CO -0.13 0.20 0.14 0.87 0.86 0.00 0.00 177.93 179.88 1h38 h LYS 773 N -0.40 0.65 -0.56 2.45 1.57 -1.85 0.33 116.57 118.76 1h38 h LYS 773 Ca -0.01 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1h38 h LYS 773 Cb 0.35 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1h38 h LYS 773 CO 0.02 0.57 0.25 0.37 -0.57 0.00 0.00 179.45 180.09 1h38 h GLN 774 N 0.64 0.80 0.00 3.15 5.75 -0.18 -0.83 115.11 124.43 1h38 h GLN 774 Ca 0.15 -0.11 -0.23 0.00 -0.15 0.00 0.00 58.65 58.32 1h38 h GLN 774 Cb 0.19 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 1h38 h GLN 774 CO -0.01 0.63 -1.19 1.49 -2.65 0.00 0.00 178.83 177.10 1h38 h GLU 775 N 0.80 0.00 0.00 1.69 4.81 -0.15 -3.17 114.58 118.56 1h38 h GLU 775 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1h38 h GLU 775 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1h38 h GLU 775 CO -0.02 0.82 -0.61 0.66 -0.73 0.00 0.00 179.01 179.12 1h38 h SER 776 N 0.00 0.00 -0.02 1.04 4.64 -0.06 -3.35 113.55 115.80 1h38 h SER 776 Ca -0.09 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1h38 h SER 776 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1h38 h SER 776 CO 0.11 0.01 -0.19 0.61 -0.87 0.00 0.00 176.83 176.51 1h38 n GLY 777 N 1.18 0.36 0.09 -0.77 0.00 -0.35 -4.59 105.19 101.10 1h38 n GLY 777 Ca 0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 1h38 n GLY 777 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h38 h ILE 778 N 3.18 1.23 0.55 -0.61 6.09 -1.69 -1.90 117.51 124.37 1h38 h ILE 778 Ca 0.00 -0.73 -0.03 0.00 -1.37 0.00 0.00 64.86 62.73 1h38 h ILE 778 Cb 0.77 1.52 0.01 0.00 0.47 0.00 0.00 36.82 39.58 1h38 h ILE 778 CO 0.00 0.21 -0.27 0.00 -3.07 0.00 0.00 178.15 175.02 1h38 h ALA 779 N 0.77 -0.74 -0.53 0.18 0.00 -1.84 0.10 119.26 117.20 1h38 h ALA 779 Ca 0.03 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1h38 h ALA 779 Cb 0.32 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1h38 h ALA 779 CO 0.00 -0.76 0.04 -1.00 0.00 0.00 0.00 179.25 177.53 1h38 h PRO 780 N -1.05 0.16 -0.25 0.00 0.13 -1.69 -1.54 132.00 127.76 1h38 h PRO 780 Ca -0.08 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 1h38 h PRO 780 Cb 0.64 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1h38 h PRO 780 CO 0.12 0.10 -0.07 -0.91 -0.23 0.00 0.00 178.00 177.02 1h38 h ASN 781 N 0.16 0.36 0.14 1.44 -0.26 -1.26 -1.12 115.58 115.06 1h38 h ASN 781 Ca 0.27 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.93 1h38 h ASN 781 Cb 0.40 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1h38 h ASN 781 CO -0.41 0.48 -0.07 0.15 -1.06 0.00 0.00 177.43 176.52 1h38 h PHE 782 N 0.37 -0.18 -0.19 1.19 3.57 0.20 -0.95 116.94 120.95 1h38 h PHE 782 Ca 0.08 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1h38 h PHE 782 Cb 0.36 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1h38 h PHE 782 CO 0.01 0.13 0.11 -0.39 -2.23 0.00 0.00 178.31 175.94 1h38 h VAL 783 N -0.50 1.02 -0.98 1.41 -1.51 -1.23 0.50 116.25 114.96 1h38 h VAL 783 Ca -0.02 -0.08 0.15 0.00 -1.23 0.00 0.00 66.70 65.52 1h38 h VAL 783 Cb 0.39 0.77 -0.09 0.00 -2.13 0.00 0.00 31.29 30.23 1h38 h VAL 783 CO 0.03 0.04 0.60 0.45 -1.23 0.00 0.00 177.57 177.47 1h38 h HIS 784 N 0.23 1.07 -0.27 5.19 3.86 -1.18 0.77 115.15 124.83 1h38 h HIS 784 Ca 0.07 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1h38 h HIS 784 Cb -0.01 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 1h38 h HIS 784 CO -0.08 0.35 -0.10 1.03 0.86 0.00 0.00 177.93 179.99 1h38 h SER 785 N 0.87 0.41 -0.10 2.45 0.87 0.13 0.15 113.55 118.34 1h38 h SER 785 Ca 0.52 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.94 1h38 h SER 785 Cb 0.65 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1h38 h SER 785 CO -0.32 0.55 -0.10 -0.61 -0.53 0.00 0.00 176.83 175.83 1h38 h GLN 786 N 0.41 0.24 0.00 2.24 5.75 0.24 -1.65 115.11 122.34 1h38 h GLN 786 Ca 0.08 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.39 1h38 h GLN 786 Cb 0.42 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1h38 h GLN 786 CO 0.02 0.66 -0.29 0.38 -2.65 0.00 0.00 178.83 176.95 1h38 h ASP 787 N -0.17 0.00 -0.50 -0.69 3.04 0.30 -2.44 116.42 115.97 1h38 h ASP 787 Ca 0.02 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.78 1h38 h ASP 787 Cb 0.62 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.89 1h38 h ASP 787 CO 0.02 0.29 0.21 1.23 -2.04 0.00 0.00 179.24 178.95 1h38 h GLY 788 N 0.89 0.79 1.27 7.15 0.00 -0.43 -1.61 103.07 111.13 1h38 h GLY 788 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1h38 h GLY 788 CO 0.04 0.40 0.19 0.23 0.00 0.00 0.00 176.54 177.39 1h38 h SER 789 N 0.66 0.85 -0.40 0.19 0.87 -0.85 -1.91 113.55 112.96 1h38 h SER 789 Ca 0.17 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1h38 h SER 789 Cb 0.18 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1h38 h SER 789 CO -0.01 0.80 0.20 -0.74 -0.53 0.00 0.00 176.83 176.55 1h38 h HIS 790 N 0.89 0.56 0.17 2.24 6.17 -1.03 0.76 115.15 124.91 1h38 h HIS 790 Ca 0.20 -0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.27 1h38 h HIS 790 Cb 0.26 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 29.99 1h38 h HIS 790 CO 0.02 0.46 -0.22 1.25 0.71 0.00 0.00 177.93 180.14 1h38 h LEU 791 N 0.50 -0.61 -0.07 0.26 6.46 -0.99 -0.05 115.31 120.82 1h38 h LEU 791 Ca 0.14 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1h38 h LEU 791 Cb 0.10 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1h38 h LEU 791 CO -0.02 -0.32 -0.05 0.03 -0.62 0.00 0.00 178.44 177.46 1h38 h ARG 792 N -0.45 -0.06 -0.92 1.25 3.08 -1.00 0.23 114.38 116.52 1h38 h ARG 792 Ca 0.01 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.21 1h38 h ARG 792 Cb 0.44 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.41 1h38 h ARG 792 CO -0.09 -0.04 0.53 0.87 -1.07 0.00 0.00 179.97 180.18 1h38 h LYS 793 N -0.06 0.76 0.23 0.04 1.57 -0.61 -0.22 116.57 118.28 1h38 h LYS 793 Ca 0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1h38 h LYS 793 Cb 0.13 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1h38 h LYS 793 CO -0.11 0.50 -0.11 1.15 -0.57 0.00 0.00 179.45 180.32 1h38 h THR 794 N 0.78 0.80 -0.64 -0.16 2.02 -0.14 0.11 112.91 115.68 1h38 h THR 794 Ca 0.49 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.64 1h38 h THR 794 Cb 0.61 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 1h38 h THR 794 CO -0.32 0.03 0.26 0.58 0.37 0.00 0.00 175.52 176.43 1h38 h VAL 795 N -0.37 0.78 -0.37 3.16 2.07 0.11 0.30 116.25 121.94 1h38 h VAL 795 Ca -0.03 -0.15 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 1h38 h VAL 795 Cb 0.28 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1h38 h VAL 795 CO 0.05 0.08 -0.35 0.58 0.02 0.00 0.00 177.57 177.96 1h38 h VAL 796 N 0.45 1.28 -0.03 2.57 2.07 -0.78 -2.09 116.25 119.72 1h38 h VAL 796 Ca 0.32 -1.52 -0.19 0.00 0.82 0.00 0.00 66.70 66.13 1h38 h VAL 796 Cb 0.39 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1h38 h VAL 796 CO -0.30 0.50 -0.80 -0.25 0.02 0.00 0.00 177.57 176.74 1h38 h TRP 797 N 0.69 0.39 0.00 1.57 2.91 -0.32 -1.66 115.95 119.53 1h38 h TRP 797 Ca 0.06 -0.19 -0.07 0.00 1.13 0.00 0.00 58.89 59.82 1h38 h TRP 797 Cb 0.94 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.53 1h38 h TRP 797 CO 0.07 0.96 -0.31 0.00 -1.03 0.00 0.00 178.44 178.13 1h38 h ALA 798 N 0.98 1.32 0.19 2.65 0.00 -0.38 0.66 119.26 124.68 1h38 h ALA 798 Ca -0.04 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 54.28 1h38 h ALA 798 Cb 1.39 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.16 1h38 h ALA 798 CO 0.13 0.39 -1.36 1.25 0.00 0.00 0.00 179.25 179.65 1h38 h HIS 799 N 0.00 0.76 0.06 0.00 -0.00 -1.12 -3.00 115.15 111.85 1h38 h HIS 799 Ca -0.00 -0.55 -0.28 0.00 -0.00 0.00 0.00 60.37 59.54 1h38 h HIS 799 Cb 0.61 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.97 1h38 h HIS 799 CO 0.00 1.43 -1.50 0.93 -0.00 0.00 0.00 177.93 178.79 1h38 h GLU 800 N 0.12 0.13 0.05 5.26 5.08 -1.23 -3.41 114.58 120.58 1h38 h GLU 800 Ca -0.20 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1h38 h GLU 800 Cb 2.07 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.41 1h38 h GLU 800 CO 0.24 1.11 -0.03 -0.22 -1.00 0.00 0.00 179.01 179.12 1h38 h LYS 801 N -0.52 -0.07 -6.33 2.33 3.11 -1.05 -3.45 116.57 110.59 1h38 h LYS 801 Ca -0.36 0.00 -0.47 0.00 -2.81 0.00 0.00 60.65 57.02 1h38 h LYS 801 Cb 1.62 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.86 1h38 h LYS 801 CO -0.06 0.53 -0.33 0.71 -2.81 0.00 0.00 179.45 177.50 1h38 s TYR 802 N -3.33 3.46 -2.03 1.91 2.02 -1.14 -5.00 117.35 113.25 1h38 s TYR 802 Ca -0.15 0.13 0.16 0.00 -0.37 0.00 0.00 57.07 56.83 1h38 s TYR 802 Cb -0.00 -1.72 0.87 0.00 -0.40 0.00 0.00 41.96 40.71 1h38 s TYR 802 CO 0.60 0.29 1.57 0.41 -1.57 0.00 0.00 175.55 176.85 1h38 n GLY 803 N -1.57 -0.83 3.54 0.71 0.00 -1.26 -4.06 105.19 101.72 1h38 n GLY 803 Ca -0.07 -0.13 -0.49 0.00 0.00 0.00 0.00 46.02 45.33 1h38 n GLY 803 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h38 n ILE 804 N -0.60 1.19 -1.23 -0.61 5.41 -1.18 -4.90 119.36 117.44 1h38 n ILE 804 Ca 0.12 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1h38 n ILE 804 Cb 0.09 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 1h38 n ILE 804 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1h38 n GLU 805 N 1.42 0.00 -4.22 0.38 0.28 -1.26 -4.09 120.64 113.14 1h38 n GLU 805 Ca 0.15 -0.32 -0.30 0.00 -0.16 0.00 0.00 57.16 56.53 1h38 n GLU 805 Cb 0.24 -0.39 -0.17 0.00 1.43 0.00 0.00 31.44 32.56 1h38 n GLU 805 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1h38 s SER 806 N 0.00 2.61 -0.01 -1.84 0.01 -1.26 -4.53 113.70 108.68 1h38 s SER 806 Ca 0.00 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.83 1h38 s SER 806 Cb 0.00 -1.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.06 1h38 s SER 806 CO 0.00 -0.02 -0.13 -0.36 0.41 0.00 0.00 173.24 173.14 1h38 s PHE 807 N 1.26 1.18 -0.34 2.43 0.40 -1.26 -4.45 117.98 117.21 1h38 s PHE 807 Ca -0.00 -0.24 -0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1h38 s PHE 807 Cb -0.14 -0.77 0.05 0.00 0.51 0.00 0.00 43.02 42.67 1h38 s PHE 807 CO -0.07 -0.04 0.09 0.00 0.70 0.00 0.00 175.22 175.91 1h38 s ALA 808 N -0.23 3.01 -0.13 5.36 0.00 -0.07 -4.91 121.76 124.79 1h38 s ALA 808 Ca 0.04 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.17 1h38 s ALA 808 Cb -0.06 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.85 1h38 s ALA 808 CO -0.00 -1.38 -0.19 -0.51 0.00 0.00 0.00 175.76 173.69 1h38 s LEU 809 N 1.34 2.35 -0.38 0.00 1.43 -1.26 -0.17 118.68 121.99 1h38 s LEU 809 Ca -0.02 -0.49 0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1h38 s LEU 809 Cb -0.20 -1.51 0.33 0.00 0.03 0.00 0.00 46.19 44.84 1h38 s LEU 809 CO 0.01 0.13 0.71 -0.38 0.23 0.00 0.00 176.35 177.05 1h38 n ILE 810 N 3.77 -0.27 0.00 -0.59 5.41 -0.47 -4.76 119.36 122.46 1h38 n ILE 810 Ca -0.19 -4.23 0.00 0.00 1.00 0.00 0.00 62.75 59.33 1h38 n ILE 810 Cb 0.52 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 1h38 n ILE 810 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1h38 n HIS 811 N 0.54 0.00 -1.58 1.39 8.25 -1.26 -2.71 115.22 119.85 1h38 n HIS 811 Ca 0.23 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.75 1h38 n HIS 811 Cb 0.64 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.89 1h38 n HIS 811 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1h38 n ASP 812 N 2.43 1.67 -4.04 0.41 5.68 -1.26 -4.76 116.55 116.67 1h38 n ASP 812 Ca 0.00 -3.21 -0.26 0.00 -0.50 0.00 0.00 54.79 50.82 1h38 n ASP 812 Cb 0.00 -0.44 -0.17 0.00 -1.14 0.00 0.00 41.12 39.38 1h38 n ASP 812 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1h38 s SER 813 N -2.75 2.00 -0.07 -1.12 0.15 -1.10 -1.37 113.70 109.44 1h38 s SER 813 Ca 0.32 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.65 1h38 s SER 813 Cb 0.31 -0.92 0.01 0.00 -1.71 0.00 0.00 66.02 63.72 1h38 s SER 813 CO -0.04 0.04 -0.13 -0.36 1.20 0.00 0.00 173.24 173.94 1h38 s PHE 814 N 0.72 1.55 0.05 3.44 0.40 -0.80 -1.37 117.98 121.98 1h38 s PHE 814 Ca -0.13 -0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1h38 s PHE 814 Cb -0.16 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 1h38 s PHE 814 CO 0.03 -0.29 -0.02 0.20 0.70 0.00 0.00 175.22 175.83 1h38 s GLY 815 N 0.66 0.43 0.16 4.36 0.00 0.76 -0.12 107.32 113.56 1h38 s GLY 815 Ca -0.15 -1.11 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 1h38 s GLY 815 CO 0.04 -1.22 0.29 -1.30 0.00 0.00 0.00 173.10 170.91 1h38 n THR 816 N 0.28 0.00 -2.21 0.90 -2.24 -1.13 -0.89 114.28 109.00 1h38 n THR 816 Ca -0.15 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.79 1h38 n THR 816 Cb 0.60 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1h38 n THR 816 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1h38 s ILE 817 N -2.62 3.47 0.21 2.28 -4.36 -1.26 -0.67 121.20 118.25 1h38 s ILE 817 Ca 0.08 0.83 -0.20 0.00 -0.26 0.00 0.00 60.65 61.10 1h38 s ILE 817 Cb -0.02 -3.32 0.17 0.00 1.25 0.00 0.00 42.46 40.54 1h38 s ILE 817 CO 0.06 -0.28 1.56 -0.65 0.24 0.00 0.00 174.94 175.86 1h38 h PRO 818 N 0.94 -0.05 0.00 0.37 0.11 -1.83 0.14 132.00 131.68 1h38 h PRO 818 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1h38 h PRO 818 Cb 1.24 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1h38 h PRO 818 CO 0.57 -0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 1h38 h ALA 819 N 1.14 1.00 -0.01 -0.75 0.00 -1.84 -0.60 119.26 118.20 1h38 h ALA 819 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1h38 h ALA 819 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1h38 h ALA 819 CO -0.91 0.00 -0.61 -0.25 0.00 0.00 0.00 179.25 177.48 1h38 n ASP 820 N -2.91 1.57 0.14 0.00 8.00 0.42 -4.66 116.55 119.12 1h38 n ASP 820 Ca -0.02 -1.28 -0.14 0.00 0.71 0.00 0.00 54.79 54.06 1h38 n ASP 820 Cb 0.08 0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 41.78 1h38 n ASP 820 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h38 h ALA 821 N 3.30 -0.56 -0.94 2.24 0.00 -0.39 -2.18 119.26 120.74 1h38 h ALA 821 Ca 0.00 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.05 1h38 h ALA 821 Cb 0.62 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1h38 h ALA 821 CO 0.00 -0.86 0.50 0.00 0.00 0.00 0.00 179.25 178.89 1h38 h ALA 822 N 0.08 1.55 0.00 0.00 0.00 -1.83 0.11 119.26 119.17 1h38 h ALA 822 Ca 0.01 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1h38 h ALA 822 Cb 0.56 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1h38 h ALA 822 CO -0.14 -0.23 -0.81 -0.91 0.00 0.00 0.00 179.25 177.17 1h38 h ASN 823 N 0.55 0.00 0.29 0.00 -0.26 -1.79 -2.97 115.58 111.40 1h38 h ASN 823 Ca 0.57 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 56.16 1h38 h ASN 823 Cb 1.01 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.26 1h38 h ASN 823 CO -0.46 0.81 -0.62 0.25 -1.06 0.00 0.00 177.43 176.35 1h38 h LEU 824 N 0.00 0.37 -0.93 1.61 5.85 -0.25 0.15 115.31 122.10 1h38 h LEU 824 Ca -0.01 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1h38 h LEU 824 Cb 1.45 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 1h38 h LEU 824 CO 0.11 0.89 0.60 0.15 -0.34 0.00 0.00 178.44 179.84 1h38 h PHE 825 N 0.24 1.11 0.04 1.25 3.04 -0.93 -1.35 116.94 120.33 1h38 h PHE 825 Ca -0.01 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 1h38 h PHE 825 Cb 1.14 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.29 1h38 h PHE 825 CO 0.03 0.59 -0.02 -0.22 -2.02 0.00 0.00 178.31 176.67 1h38 h LYS 826 N 1.11 -0.05 -0.42 1.11 3.64 -1.33 -3.30 116.57 117.33 1h38 h LYS 826 Ca 0.39 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.86 1h38 h LYS 826 Cb 0.11 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 1h38 h LYS 826 CO -0.16 0.50 -0.03 0.00 -2.27 0.00 0.00 179.45 177.50 1h38 h ALA 827 N 0.28 0.36 -0.67 5.00 0.00 -0.31 -1.37 119.26 122.55 1h38 h ALA 827 Ca -0.01 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1h38 h ALA 827 Cb 0.57 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1h38 h ALA 827 CO 0.01 -0.41 0.44 0.28 0.00 0.00 0.00 179.25 179.57 1h38 h VAL 828 N 0.08 1.08 -0.14 0.00 2.07 -1.39 -0.16 116.25 117.79 1h38 h VAL 828 Ca 0.21 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1h38 h VAL 828 Cb 0.30 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1h38 h VAL 828 CO -0.37 0.14 -0.16 0.03 0.02 0.00 0.00 177.57 177.24 1h38 h ARG 829 N 0.78 0.35 -0.28 1.57 2.47 -1.39 -2.45 114.38 115.44 1h38 h ARG 829 Ca 0.27 -0.19 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1h38 h ARG 829 Cb 0.09 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 1h38 h ARG 829 CO -0.08 0.76 0.12 0.93 0.56 0.00 0.00 179.97 182.26 1h38 h GLU 830 N -0.03 0.26 -0.29 0.04 5.08 -0.83 0.13 114.58 118.93 1h38 h GLU 830 Ca 0.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1h38 h GLU 830 Cb 0.70 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1h38 h GLU 830 CO 0.04 0.17 0.02 0.00 -1.00 0.00 0.00 179.01 178.24 1h38 h THR 831 N 0.27 1.17 -0.03 1.13 1.03 -1.07 -0.78 112.91 114.63 1h38 h THR 831 Ca 0.12 -0.64 -0.19 0.00 -0.01 0.00 0.00 66.41 65.69 1h38 h THR 831 Cb 0.06 0.94 0.01 0.00 -1.07 0.00 0.00 68.15 68.09 1h38 h THR 831 CO -0.10 0.22 -0.71 -0.03 -0.01 0.00 0.00 175.52 174.89 1h38 h MET 832 N 0.42 0.54 0.10 0.00 1.85 -0.74 -2.71 114.93 114.39 1h38 h MET 832 Ca 0.10 -0.54 -0.00 0.00 -0.61 0.00 0.00 59.70 58.64 1h38 h MET 832 Cb 0.25 0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.43 1h38 h MET 832 CO 0.00 1.16 -0.05 0.28 -0.40 0.00 0.00 176.91 177.91 1h38 h VAL 833 N 0.12 0.93 0.39 -5.77 2.07 -0.58 -3.05 116.25 110.36 1h38 h VAL 833 Ca -0.08 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1h38 h VAL 833 Cb 1.39 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1h38 h VAL 833 CO 0.14 0.03 -0.39 -0.78 0.02 0.00 0.00 177.57 176.59 1h38 h ASP 834 N -0.19 -1.05 -0.83 0.57 3.58 -1.22 -1.89 116.42 115.39 1h38 h ASP 834 Ca -0.01 0.09 0.18 0.00 0.42 0.00 0.00 57.03 57.70 1h38 h ASP 834 Cb 0.15 0.35 -0.11 0.00 1.72 0.00 0.00 39.33 41.45 1h38 h ASP 834 CO 0.02 -0.54 0.34 0.74 -2.88 0.00 0.00 179.24 176.93 1h38 h THR 835 N -0.80 0.57 0.00 2.25 2.02 -1.47 -0.30 112.91 115.18 1h38 h THR 835 Ca -0.03 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1h38 h THR 835 Cb 0.71 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1h38 h THR 835 CO -0.06 0.08 -0.31 -1.22 0.37 0.00 0.00 175.52 174.38 1h38 n TYR 836 N -5.02 0.11 0.10 3.16 4.01 -1.13 -1.46 117.16 116.93 1h38 n TYR 836 Ca 0.18 0.03 0.02 0.00 -0.16 0.00 0.00 57.90 57.97 1h38 n TYR 836 Cb 0.52 -0.42 -0.02 0.00 -0.31 0.00 0.00 39.34 39.12 1h38 n TYR 836 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1h38 h GLU 837 N 0.00 0.00 0.00 -0.72 5.08 -0.25 -3.35 114.58 115.34 1h38 h GLU 837 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1h38 h GLU 837 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1h38 h GLU 837 CO 0.00 0.43 -1.02 0.43 -1.00 0.00 0.00 179.01 177.84 1h38 n SER 838 N -3.10 0.83 -3.95 1.42 7.64 -0.59 -4.99 113.62 110.88 1h38 n SER 838 Ca -0.02 -0.74 -0.15 0.00 1.01 0.00 0.00 58.87 58.98 1h38 n SER 838 Cb 0.77 1.16 -0.14 0.00 -1.01 0.00 0.00 64.21 64.99 1h38 n SER 838 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h38 n ASP 840 N 2.78 6.11 -0.51 0.00 -0.08 -1.26 -4.61 116.55 118.98 1h38 n ASP 840 Ca -0.14 -3.68 0.41 0.00 -1.51 0.00 0.00 54.79 49.88 1h38 n ASP 840 Cb 0.58 -0.92 0.63 0.00 2.34 0.00 0.00 41.12 43.76 1h38 n ASP 840 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1h38 n VAL 841 N -0.08 0.00 -0.02 5.18 0.24 -1.26 0.59 118.33 122.98 1h38 n VAL 841 Ca 0.40 1.28 -0.13 0.00 -2.04 0.00 0.00 64.34 63.85 1h38 n VAL 841 Cb 0.32 -2.18 -0.10 0.00 -1.47 0.00 0.00 33.84 30.40 1h38 n VAL 841 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1h38 h LEU 842 N 0.00 -0.02 -0.03 1.34 4.07 -1.92 -1.85 115.31 116.90 1h38 h LEU 842 Ca 0.73 -0.59 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1h38 h LEU 842 Cb 3.19 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 44.93 1h38 h LEU 842 CO -0.01 0.60 0.02 0.00 -1.08 0.00 0.00 178.44 177.97 1h38 h ALA 843 N 0.29 0.04 -0.90 1.53 0.00 -0.28 -1.56 119.26 118.38 1h38 h ALA 843 Ca -0.00 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.09 1h38 h ALA 843 Cb 0.62 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1h38 h ALA 843 CO 0.00 -0.44 0.60 -0.44 0.00 0.00 0.00 179.25 178.97 1h38 h ASP 844 N -0.00 0.38 -0.31 0.00 3.32 -1.33 0.67 116.42 119.15 1h38 h ASP 844 Ca 0.01 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1h38 h ASP 844 Cb 0.04 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1h38 h ASP 844 CO -0.00 0.15 -0.16 0.15 -1.72 0.00 0.00 179.24 177.66 1h38 h PHE 845 N 0.38 0.84 0.51 4.55 3.57 -0.52 -2.86 116.94 123.41 1h38 h PHE 845 Ca 0.46 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 1h38 h PHE 845 Cb 1.19 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.72 1h38 h PHE 845 CO -0.00 0.86 -0.25 -0.92 -2.23 0.00 0.00 178.31 175.78 1h38 h TYR 846 N 0.68 -0.64 -0.92 0.41 -0.00 0.12 -2.52 116.97 114.10 1h38 h TYR 846 Ca 0.11 -0.02 0.18 0.00 -0.00 0.00 0.00 58.73 59.00 1h38 h TYR 846 Cb 0.65 0.21 -0.11 0.00 -0.00 0.00 0.00 36.73 37.48 1h38 h TYR 846 CO 0.03 -0.40 0.50 -0.44 -0.00 0.00 0.00 178.16 177.86 1h38 h ASP 847 N -0.69 0.60 -0.29 -2.11 5.19 -1.20 0.46 116.42 118.38 1h38 h ASP 847 Ca -0.07 0.11 0.06 0.00 -0.62 0.00 0.00 57.03 56.51 1h38 h ASP 847 Cb 0.53 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.99 1h38 h ASP 847 CO 0.12 0.20 -0.08 1.56 -3.12 0.00 0.00 179.24 177.91 1h38 h GLN 848 N 0.63 -0.01 0.00 3.56 1.08 -1.22 -3.25 115.11 115.90 1h38 h GLN 848 Ca 0.53 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.62 1h38 h GLN 848 Cb 0.85 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 1h38 h GLN 848 CO -0.41 -0.01 -1.99 1.97 -0.95 0.00 0.00 178.83 177.44 1h38 n PHE 849 N -5.26 0.14 -0.24 2.96 -1.74 -0.64 -4.62 117.46 108.07 1h38 n PHE 849 Ca -0.00 0.05 -0.06 0.00 -0.56 0.00 0.00 57.45 56.87 1h38 n PHE 849 Cb 0.17 -0.71 -0.06 0.00 1.52 0.00 0.00 39.48 40.40 1h38 n PHE 849 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1h38 n ALA 850 N -2.40 -0.36 -0.54 1.98 0.00 0.15 -0.16 120.51 119.18 1h38 n ALA 850 Ca -0.12 0.48 -0.03 0.00 0.00 0.00 0.00 53.44 53.77 1h38 n ALA 850 Cb 0.75 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 20.14 1h38 n ALA 850 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h38 n ASP 851 N -4.47 4.50 0.00 0.00 5.75 -1.26 -2.02 116.55 119.05 1h38 n ASP 851 Ca 0.01 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1h38 n ASP 851 Cb 0.15 -1.02 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 1h38 n ASP 851 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1h38 n GLN 852 N 1.86 0.00 -2.82 0.11 7.27 0.77 -5.04 117.38 119.53 1h38 n GLN 852 Ca 0.10 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.74 1h38 n GLN 852 Cb 0.52 -0.35 -0.04 0.00 2.41 0.00 0.00 30.24 32.79 1h38 n GLN 852 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1h38 s LEU 853 N 0.00 4.00 0.78 1.69 1.43 -0.85 -4.95 118.68 120.78 1h38 s LEU 853 Ca 0.00 0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.17 1h38 s LEU 853 Cb 0.00 -3.21 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 1h38 s LEU 853 CO 0.00 -1.00 0.07 1.57 0.23 0.00 0.00 176.35 177.22 1h38 n HIS 854 N 7.06 -2.34 -0.34 0.29 -0.00 -1.26 -4.79 115.22 113.83 1h38 n HIS 854 Ca 0.06 0.26 0.20 0.00 -0.00 0.00 0.00 57.72 58.24 1h38 n HIS 854 Cb 0.48 -1.74 0.42 0.00 -0.00 0.00 0.00 29.99 29.15 1h38 n HIS 854 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1h38 h GLU 855 N -0.64 0.49 0.00 1.57 4.81 -1.98 -1.86 114.58 116.97 1h38 h GLU 855 Ca -0.44 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1h38 h GLU 855 Cb 1.35 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1h38 h GLU 855 CO 0.36 0.32 -0.04 0.66 -0.73 0.00 0.00 179.01 179.59 1h38 h SER 856 N 0.51 0.00 -0.57 1.04 4.64 -2.04 -3.27 113.55 113.86 1h38 h SER 856 Ca 0.67 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.85 1h38 h SER 856 Cb 1.36 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.37 1h38 h SER 856 CO -0.50 0.04 0.14 0.00 -0.87 0.00 0.00 176.83 175.63 1h38 n GLN 857 N -3.12 3.44 -0.08 4.77 10.64 -0.70 -4.54 117.38 127.79 1h38 n GLN 857 Ca 0.02 -3.06 0.01 0.00 -1.83 0.00 0.00 57.00 52.14 1h38 n GLN 857 Cb 0.44 -2.09 0.04 0.00 -0.86 0.00 0.00 30.24 27.77 1h38 n GLN 857 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1h38 n LEU 858 N -0.28 1.37 0.00 2.61 4.77 -1.24 -3.79 117.00 120.44 1h38 n LEU 858 Ca 0.34 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1h38 n LEU 858 Cb 1.22 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1h38 n LEU 858 CO 0.33 0.27 -0.18 -0.90 -1.33 0.00 0.00 177.39 175.58 1h38 n ASP 859 N 0.03 1.72 0.00 -1.43 5.68 -1.26 -4.71 116.55 116.57 1h38 n ASP 859 Ca 0.03 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.38 1h38 n ASP 859 Cb 0.32 0.14 0.37 0.00 -1.14 0.00 0.00 41.12 40.81 1h38 n ASP 859 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1h38 n LYS 860 N -1.22 0.67 -2.89 0.11 4.81 -1.25 -4.51 118.16 113.89 1h38 n LYS 860 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1h38 n LYS 860 Cb 0.18 -1.29 -0.04 0.00 0.02 0.00 0.00 35.03 33.90 1h38 n LYS 860 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1h38 s MET 861 N -2.00 3.18 0.57 1.64 1.75 -1.26 -5.02 119.30 118.16 1h38 s MET 861 Ca 0.19 -1.01 -0.18 0.00 -1.25 0.00 0.00 55.69 53.44 1h38 s MET 861 Cb 0.09 -4.34 -0.07 0.00 2.84 0.00 0.00 34.83 33.34 1h38 s MET 861 CO 0.14 -1.79 0.69 -0.35 -0.65 0.00 0.00 175.02 173.06 1h38 n PRO 862 N 7.45 0.66 -1.56 4.11 -0.04 -1.26 -4.94 135.00 139.42 1h38 n PRO 862 Ca -0.00 0.26 -0.32 0.00 -0.04 0.00 0.00 63.50 63.39 1h38 n PRO 862 Cb 0.46 -1.86 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1h38 n PRO 862 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h38 s ALA 863 N -1.63 2.39 0.12 0.55 0.00 -1.26 -4.93 121.76 117.01 1h38 s ALA 863 Ca 0.71 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.78 1h38 s ALA 863 Cb -0.44 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.28 1h38 s ALA 863 CO 0.52 -1.46 1.82 -0.51 0.00 0.00 0.00 175.76 176.13 1h38 s LEU 864 N -5.30 4.40 0.46 0.00 1.43 -1.26 -4.90 118.68 113.50 1h38 s LEU 864 Ca 0.64 2.75 -0.22 0.00 -1.03 0.00 0.00 54.13 56.27 1h38 s LEU 864 Cb -0.19 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 1h38 s LEU 864 CO 0.48 -1.00 0.77 -0.81 0.23 0.00 0.00 176.35 176.02 1h38 n PRO 865 N 5.65 0.90 -1.65 1.29 -0.04 -1.26 -4.92 135.00 134.98 1h38 n PRO 865 Ca 0.18 0.33 -0.32 0.00 -0.04 0.00 0.00 63.50 63.64 1h38 n PRO 865 Cb 0.38 -1.81 0.06 0.00 -0.04 0.00 0.00 33.50 32.08 1h38 n PRO 865 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h38 s ALA 866 N -1.43 2.45 1.00 0.55 0.00 -1.26 -5.04 121.76 118.03 1h38 s ALA 866 Ca 0.65 0.44 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 1h38 s ALA 866 Cb -0.55 -3.29 0.19 0.00 0.00 0.00 0.00 23.12 19.47 1h38 s ALA 866 CO 0.56 -1.36 1.16 0.15 0.00 0.00 0.00 175.76 176.27 1h38 s LYS 867 N -4.34 0.42 0.00 0.00 3.01 -1.26 -4.94 119.74 112.63 1h38 s LYS 867 Ca 0.65 0.08 0.00 0.00 -1.01 0.00 0.00 55.97 55.69 1h38 s LYS 867 Cb -0.19 -1.77 0.00 0.00 -1.01 0.00 0.00 37.83 34.86 1h38 s LYS 867 CO 0.45 -2.64 0.00 0.41 0.51 0.00 0.00 175.35 174.08 1h38 n GLY 868 N -2.14 5.89 1.17 -3.33 0.00 -0.50 -4.94 105.19 101.35 1h38 n GLY 868 Ca 0.10 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 44.15 1h38 n GLY 868 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h38 n ASN 869 N -0.58 3.44 -4.76 1.61 4.13 -0.94 -4.79 115.26 113.37 1h38 n ASN 869 Ca 0.00 -1.98 -0.41 0.00 1.68 0.00 0.00 54.58 53.87 1h38 n ASN 869 Cb 0.00 -0.34 -0.02 0.00 -1.54 0.00 0.00 39.78 37.87 1h38 n ASN 869 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1h38 s LEU 870 N -1.25 4.42 -0.70 3.41 0.20 -0.17 -4.90 118.68 119.69 1h38 s LEU 870 Ca 0.42 2.61 -0.07 0.00 0.69 0.00 0.00 54.13 57.77 1h38 s LEU 870 Cb 0.23 -3.63 0.18 0.00 -0.43 0.00 0.00 46.19 42.54 1h38 s LEU 870 CO 0.31 -0.56 0.56 0.21 -0.29 0.00 0.00 176.35 176.58 1h38 s ASN 871 N -0.12 5.81 0.36 3.68 2.47 -1.26 -4.84 114.94 121.04 1h38 s ASN 871 Ca 0.53 -2.78 0.30 0.00 0.42 0.00 0.00 52.86 51.33 1h38 s ASN 871 Cb -0.39 -1.99 1.18 0.00 -1.45 0.00 0.00 41.25 38.60 1h38 s ASN 871 CO 0.47 -0.45 1.16 0.18 -3.72 0.00 0.00 177.10 174.73 1h38 n LEU 872 N 3.69 0.09 0.31 3.21 4.77 -1.26 0.18 117.00 127.98 1h38 n LEU 872 Ca 0.10 0.90 0.17 0.00 -0.03 0.00 0.00 56.01 57.15 1h38 n LEU 872 Cb 0.41 -0.44 1.00 0.00 -2.33 0.00 0.00 43.42 42.06 1h38 n LEU 872 CO 0.34 -0.95 1.14 0.03 -1.33 0.00 0.00 177.39 176.62 1h38 h ARG 873 N 0.00 0.00 -0.22 3.23 2.47 -1.94 -0.05 114.38 117.87 1h38 h ARG 873 Ca 0.67 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 59.41 1h38 h ARG 873 Cb 2.41 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.72 1h38 h ARG 873 CO -0.20 0.00 0.15 -0.44 0.56 0.00 0.00 179.97 180.05 1h38 h ASP 874 N 0.00 0.21 -0.79 7.04 5.19 0.15 -2.56 116.42 125.66 1h38 h ASP 874 Ca -0.00 -0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.54 1h38 h ASP 874 Cb 0.01 -0.05 -0.09 0.00 0.18 0.00 0.00 39.33 39.38 1h38 h ASP 874 CO 0.00 0.15 0.38 0.40 -3.12 0.00 0.00 179.24 177.05 1h38 h ILE 875 N 0.24 0.74 0.00 0.35 2.04 -1.09 0.61 117.51 120.40 1h38 h ILE 875 Ca 0.09 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1h38 h ILE 875 Cb 0.06 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1h38 h ILE 875 CO -0.02 0.11 0.13 0.18 0.00 0.00 0.00 178.15 178.54 1h38 n LEU 876 N -4.90 0.00 -0.11 1.44 4.77 -0.96 -0.40 117.00 116.83 1h38 n LEU 876 Ca 0.15 0.37 0.04 0.00 -0.03 0.00 0.00 56.01 56.54 1h38 n LEU 876 Cb 0.39 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1h38 n LEU 876 CO 0.21 -0.37 0.46 -0.62 -1.33 0.00 0.00 177.39 175.74 1h38 n GLU 877 N -1.37 1.42 -3.17 3.23 1.02 0.19 -4.99 120.64 116.98 1h38 n GLU 877 Ca 0.00 -1.74 -0.40 0.00 -0.02 0.00 0.00 57.16 54.99 1h38 n GLU 877 Cb 0.13 -1.06 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 1h38 n GLU 877 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1h38 s SER 878 N -1.66 6.50 0.03 1.62 0.15 0.46 -4.38 113.70 116.42 1h38 s SER 878 Ca 0.13 0.58 -0.29 0.00 0.70 0.00 0.00 55.95 57.07 1h38 s SER 878 Cb 0.12 -2.31 -0.16 0.00 -1.71 0.00 0.00 66.02 61.95 1h38 s SER 878 CO 0.01 -0.35 1.26 0.44 1.20 0.00 0.00 173.24 175.81 1h38 h ASP 879 N 7.99 -0.78 0.00 5.45 3.32 -1.88 -3.31 116.42 127.22 1h38 h ASP 879 Ca -0.28 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1h38 h ASP 879 Cb 1.13 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1h38 h ASP 879 CO 0.75 -0.43 0.00 0.49 -1.72 0.00 0.00 179.24 178.33 1h38 n PHE 880 N -5.41 0.00 -1.65 4.55 3.72 -1.26 -3.80 117.46 113.61 1h38 n PHE 880 Ca -0.12 -0.29 -0.15 0.00 -0.05 0.00 0.00 57.45 56.84 1h38 n PHE 880 Cb 0.38 -0.19 0.12 0.00 -0.94 0.00 0.00 39.48 38.85 1h38 n PHE 880 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h38 n ALA 881 N 0.30 4.80 -0.61 4.37 0.00 -1.22 -4.69 120.51 123.46 1h38 n ALA 881 Ca 0.00 -3.44 -0.16 0.00 0.00 0.00 0.00 53.44 49.85 1h38 n ALA 881 Cb 0.40 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 1h38 n ALA 881 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h38 n PHE 882 N -0.96 0.20 -0.19 0.00 3.72 -1.25 -4.80 117.46 114.18 1h38 n PHE 882 Ca 0.40 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 1h38 n PHE 882 Cb 0.93 -0.87 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1h38 n PHE 882 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71