#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a23 s GLN 2 N 0.00 1.74 0.00 0.00 -0.21 -1.26 -4.89 119.66 115.04 1a23 s GLN 2 Ca 0.00 -2.42 0.00 0.00 0.02 0.00 0.00 55.36 52.96 1a23 s GLN 2 Cb 0.00 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 31.04 1a23 s GLN 2 CO 0.00 -1.13 0.00 0.66 -2.12 0.00 0.00 175.29 172.70 1a23 n TYR 3 N 3.24 0.00 -2.55 0.91 4.01 -1.26 -5.02 117.16 116.49 1a23 n TYR 3 Ca 0.07 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.59 1a23 n TYR 3 Cb 0.33 -1.73 0.01 0.00 -0.31 0.00 0.00 39.34 37.64 1a23 n TYR 3 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1a23 n GLU 4 N 0.05 2.76 -2.88 -0.72 1.02 -1.26 -4.97 120.64 114.64 1a23 n GLU 4 Ca 0.00 -4.15 -0.00 0.00 -0.02 0.00 0.00 57.16 52.98 1a23 n GLU 4 Cb 0.00 -1.96 -0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1a23 n GLU 4 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1a23 n ASP 5 N -0.35 -7.10 0.00 1.62 2.03 -1.26 -4.38 116.55 107.11 1a23 n ASP 5 Ca 0.30 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.70 1a23 n ASP 5 Cb 0.70 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.08 1a23 n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a23 n GLY 6 N 1.02 2.51 0.01 0.27 0.00 -0.49 -4.90 105.19 103.60 1a23 n GLY 6 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1a23 n GLY 6 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a23 h LYS 7 N 1.11 -0.00 0.00 1.61 1.63 -1.95 -3.42 116.57 115.55 1a23 h LYS 7 Ca 0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1a23 h LYS 7 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1a23 h LYS 7 CO 0.00 -0.00 -2.07 1.04 -3.45 0.00 0.00 179.45 174.97 1a23 n GLN 8 N -2.34 0.67 -3.65 1.90 6.02 -1.26 -4.76 117.38 113.97 1a23 n GLN 8 Ca -0.00 -0.16 -0.06 0.00 -0.01 0.00 0.00 57.00 56.77 1a23 n GLN 8 Cb 0.00 -1.51 -0.08 0.00 1.02 0.00 0.00 30.24 29.67 1a23 n GLN 8 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1a23 s TYR 9 N -3.29 -0.99 0.30 1.08 1.13 -1.26 0.51 117.35 114.83 1a23 s TYR 9 Ca -0.08 1.79 0.06 0.00 -1.41 0.00 0.00 57.07 57.43 1a23 s TYR 9 Cb 0.12 0.47 -0.02 0.00 -1.10 0.00 0.00 41.96 41.43 1a23 s TYR 9 CO 0.88 -0.55 0.40 -0.08 -2.51 0.00 0.00 175.55 173.69 1a23 s THR 10 N 2.71 4.37 -0.02 -3.49 -1.32 -0.42 -1.40 115.64 116.06 1a23 s THR 10 Ca -0.03 -1.07 -0.07 0.00 -1.21 0.00 0.00 61.69 59.31 1a23 s THR 10 Cb -0.12 -3.51 -0.05 0.00 -1.51 0.00 0.00 72.50 67.31 1a23 s THR 10 CO -0.15 -0.22 0.25 -0.89 -2.21 0.00 0.00 174.62 171.40 1a23 s THR 11 N -2.13 5.33 0.41 5.08 2.01 -1.26 -1.64 115.64 123.44 1a23 s THR 11 Ca 0.41 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 1a23 s THR 11 Cb -0.09 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 1a23 s THR 11 CO 0.30 0.45 0.81 -0.76 -0.69 0.00 0.00 174.62 174.72 1a23 s LEU 12 N -1.53 3.83 0.36 4.42 1.43 -1.15 -4.95 118.68 121.09 1a23 s LEU 12 Ca 0.24 1.26 0.22 0.00 -1.03 0.00 0.00 54.13 54.83 1a23 s LEU 12 Cb -0.13 -4.14 0.23 0.00 0.03 0.00 0.00 46.19 42.17 1a23 s LEU 12 CO 0.13 -0.40 1.43 -0.33 0.23 0.00 0.00 176.35 177.41 1a23 h GLU 13 N 1.37 0.00 -4.18 1.70 5.08 -1.98 -3.41 114.58 113.16 1a23 h GLU 13 Ca -0.47 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.27 1a23 h GLU 13 Cb 1.18 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.04 1a23 h GLU 13 CO 0.63 0.02 -0.74 0.15 -1.00 0.00 0.00 179.01 178.08 1a23 s LYS 14 N -3.24 1.17 0.59 2.33 1.02 -1.26 -5.12 119.74 115.22 1a23 s LYS 14 Ca 0.05 -1.45 -0.13 0.00 0.02 0.00 0.00 55.97 54.45 1a23 s LYS 14 Cb 0.06 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1a23 s LYS 14 CO 0.71 -0.93 1.02 -1.25 -0.92 0.00 0.00 175.35 173.98 1a23 s PRO 15 N 1.25 3.67 -0.30 -1.68 0.04 -1.26 -4.86 135.00 131.86 1a23 s PRO 15 Ca 0.09 0.85 0.03 0.00 0.04 0.00 0.00 61.00 62.01 1a23 s PRO 15 Cb -0.18 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.35 1a23 s PRO 15 CO -0.15 -0.51 -0.03 0.08 0.04 0.00 0.00 177.00 176.44 1a23 s VAL 16 N -2.96 2.25 0.16 -0.36 1.01 0.95 -4.99 120.40 116.46 1a23 s VAL 16 Ca 0.57 -1.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.24 1a23 s VAL 16 Cb -0.11 -2.50 -0.11 0.00 0.00 0.00 0.00 36.38 33.66 1a23 s VAL 16 CO 0.46 -0.32 1.79 0.00 0.00 0.00 0.00 175.10 177.02 1a23 s ALA 17 N 1.00 3.85 0.00 5.51 0.00 -1.26 -0.22 121.76 130.64 1a23 s ALA 17 Ca 0.01 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1a23 s ALA 17 Cb -0.20 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1a23 s ALA 17 CO -0.06 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.01 1a23 n GLY 18 N 4.13 2.08 3.21 0.00 0.00 -1.26 -5.04 105.19 108.30 1a23 n GLY 18 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1a23 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a23 n ALA 19 N -1.36 -3.94 -1.75 4.61 0.00 0.69 -4.91 120.51 113.85 1a23 n ALA 19 Ca 0.00 -0.57 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 1a23 n ALA 19 Cb 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 17.94 1a23 n ALA 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a23 s PRO 20 N -2.56 4.81 0.67 0.00 0.04 -1.26 -4.53 135.00 132.16 1a23 s PRO 20 Ca 0.50 1.55 0.29 0.00 0.04 0.00 0.00 61.00 63.38 1a23 s PRO 20 Cb -0.23 -3.25 1.60 0.00 0.04 0.00 0.00 34.50 32.66 1a23 s PRO 20 CO 0.74 0.45 1.90 1.96 0.04 0.00 0.00 177.00 182.09 1a23 h GLN 21 N 4.06 0.00 -1.46 4.56 4.20 -1.78 0.75 115.11 125.43 1a23 h GLN 21 Ca -0.45 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 57.96 1a23 h GLN 21 Cb 1.20 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.75 1a23 h GLN 21 CO 0.68 0.00 -0.65 0.08 -0.67 0.00 0.00 178.83 178.26 1a23 s VAL 22 N -4.09 -0.55 -0.36 -0.54 1.01 -0.31 -3.05 120.40 112.51 1a23 s VAL 22 Ca -0.03 -1.52 -0.29 0.00 0.00 0.00 0.00 61.98 60.14 1a23 s VAL 22 Cb 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 36.05 1a23 s VAL 22 CO 0.27 -0.42 1.30 -0.22 0.00 0.00 0.00 175.10 176.03 1a23 s LEU 23 N 0.63 3.75 -0.18 3.92 0.20 0.37 -1.04 118.68 126.34 1a23 s LEU 23 Ca 0.30 0.97 -0.09 0.00 0.69 0.00 0.00 54.13 56.00 1a23 s LEU 23 Cb 0.01 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.18 1a23 s LEU 23 CO -0.10 -1.21 0.13 -0.70 -0.29 0.00 0.00 176.35 174.19 1a23 s GLU 24 N 4.42 4.02 -0.19 1.98 2.12 0.42 -0.20 118.70 131.26 1a23 s GLU 24 Ca 0.56 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.69 1a23 s GLU 24 Cb -0.14 -3.36 0.02 0.00 0.26 0.00 0.00 34.13 30.91 1a23 s GLU 24 CO 0.27 0.41 -0.16 -0.06 -0.54 0.00 0.00 175.26 175.17 1a23 s PHE 25 N 0.05 2.85 -0.15 5.30 0.08 0.13 0.10 117.98 126.35 1a23 s PHE 25 Ca 0.09 -1.55 -0.22 0.00 0.12 0.00 0.00 56.93 55.38 1a23 s PHE 25 Cb -0.11 -1.96 0.05 0.00 -0.57 0.00 0.00 43.02 40.43 1a23 s PHE 25 CO -0.01 -0.76 0.56 -0.59 -0.10 0.00 0.00 175.22 174.32 1a23 s PHE 26 N 1.32 -0.57 0.37 0.36 -0.71 -0.85 -1.89 117.98 116.01 1a23 s PHE 26 Ca 0.04 1.26 0.08 0.00 -1.04 0.00 0.00 56.93 57.28 1a23 s PHE 26 Cb -0.14 0.24 -0.07 0.00 -1.21 0.00 0.00 43.02 41.85 1a23 s PHE 26 CO -0.10 -0.38 -0.01 -1.54 -1.34 0.00 0.00 175.22 171.85 1a23 s SER 27 N -0.25 3.95 -0.74 1.98 1.04 -1.26 -4.06 113.70 114.36 1a23 s SER 27 Ca -0.04 -1.20 -0.04 0.00 0.48 0.00 0.00 55.95 55.15 1a23 s SER 27 Cb -0.03 -0.42 0.11 0.00 0.10 0.00 0.00 66.02 65.78 1a23 s SER 27 CO 0.03 -0.33 2.58 0.49 0.98 0.00 0.00 173.24 176.99 1a23 n PHE 28 N -0.93 2.01 -1.55 5.02 3.72 -1.26 -3.84 117.46 120.62 1a23 n PHE 28 Ca -0.04 -2.23 0.00 0.00 -0.05 0.00 0.00 57.45 55.13 1a23 n PHE 28 Cb 0.64 -1.48 0.00 0.00 -0.94 0.00 0.00 39.48 37.71 1a23 n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a23 n PHE 29 N 0.95 0.00 -4.15 1.38 3.01 -1.26 -4.66 117.46 112.74 1a23 n PHE 29 Ca 0.53 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.75 1a23 n PHE 29 Cb 0.43 0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.91 1a23 n PHE 29 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a23 h PRO 31 N 1.61 0.29 -0.14 0.00 0.13 -1.97 -3.18 132.00 128.74 1a23 h PRO 31 Ca -0.44 -0.35 -0.23 0.00 -0.87 0.00 0.00 66.00 64.11 1a23 h PRO 31 Cb 1.25 0.11 0.01 0.00 0.13 0.00 0.00 31.00 32.50 1a23 h PRO 31 CO 0.64 1.08 -0.81 0.45 -0.23 0.00 0.00 178.00 179.12 1a23 h HIS 32 N 0.14 1.06 -0.31 1.56 3.86 -1.96 -3.19 115.15 116.31 1a23 h HIS 32 Ca -0.08 -0.48 0.03 0.00 -1.16 0.00 0.00 60.37 58.68 1a23 h HIS 32 Cb 1.66 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.94 1a23 h HIS 32 CO 0.05 1.32 -0.18 0.00 0.86 0.00 0.00 177.93 179.97 1a23 h TYR 34 N 0.00 -0.50 0.00 0.00 5.03 -1.70 -2.06 116.97 117.74 1a23 h TYR 34 Ca 0.05 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1a23 h TYR 34 Cb 0.13 0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1a23 h TYR 34 CO -0.48 -0.18 0.09 1.96 -1.32 0.00 0.00 178.16 178.24 1a23 h GLN 35 N -0.85 0.00 0.16 1.82 4.20 -0.80 0.74 115.11 120.37 1a23 h GLN 35 Ca -0.05 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.31 1a23 h GLN 35 Cb 0.55 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1a23 h GLN 35 CO 0.09 0.00 -1.80 0.35 -0.67 0.00 0.00 178.83 176.80 1a23 h PHE 36 N 0.00 0.61 -0.34 2.96 3.57 0.33 -0.51 116.94 123.55 1a23 h PHE 36 Ca 0.00 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1a23 h PHE 36 Cb 0.18 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1a23 h PHE 36 CO 0.00 1.71 0.00 -1.91 -2.23 0.00 0.00 178.31 175.88 1a23 n GLU 37 N -3.60 2.50 0.00 1.11 2.13 -0.74 -2.98 120.64 119.06 1a23 n GLU 37 Ca -0.27 -2.00 0.00 0.00 0.66 0.00 0.00 57.16 55.55 1a23 n GLU 37 Cb 1.04 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 31.45 1a23 n GLU 37 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1a23 n GLU 38 N 0.70 0.00 -0.00 5.31 -0.58 0.25 -4.89 120.64 121.42 1a23 n GLU 38 Ca 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1a23 n GLU 38 Cb 0.43 -0.64 -0.00 0.00 -0.57 0.00 0.00 31.44 30.66 1a23 n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1a23 n VAL 39 N -1.94 0.00 0.25 2.62 0.31 -1.22 -4.67 118.33 113.69 1a23 n VAL 39 Ca 0.00 0.33 0.18 0.00 -0.01 0.00 0.00 64.34 64.84 1a23 n VAL 39 Cb 0.19 -1.33 0.90 0.00 -0.91 0.00 0.00 33.84 32.68 1a23 n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1a23 h LEU 40 N -0.00 0.00 0.88 7.52 3.38 -1.36 -3.45 115.31 122.28 1a23 h LEU 40 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1a23 h LEU 40 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1a23 h LEU 40 CO 0.00 0.00 -0.33 1.41 0.09 0.00 0.00 178.44 179.61 1a23 n HIS 41 N -3.48 -0.04 0.25 1.13 8.25 -1.25 -4.81 115.22 115.28 1a23 n HIS 41 Ca 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 1a23 n HIS 41 Cb 0.30 -3.22 0.89 0.00 1.12 0.00 0.00 29.99 29.08 1a23 n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1a23 h ILE 42 N 0.00 0.24 0.04 1.59 2.04 -1.81 0.90 117.51 120.51 1a23 h ILE 42 Ca -0.36 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.38 1a23 h ILE 42 Cb 1.27 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1a23 h ILE 42 CO 0.53 0.00 -0.61 0.28 0.00 0.00 0.00 178.15 178.35 1a23 h SER 43 N 0.00 0.14 0.93 1.72 0.02 -1.85 -3.13 113.55 111.38 1a23 h SER 43 Ca 0.06 -0.87 -0.15 0.00 -0.84 0.00 0.00 61.79 59.99 1a23 h SER 43 Cb 0.52 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1a23 h SER 43 CO -0.00 1.26 -0.70 0.44 -1.14 0.00 0.00 176.83 176.69 1a23 h ASP 44 N -0.78 0.00 -0.39 3.07 5.19 -1.65 -3.16 116.42 118.69 1a23 h ASP 44 Ca -0.14 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.12 1a23 h ASP 44 Cb 1.29 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1a23 h ASP 44 CO -0.00 0.70 -0.35 -1.13 -3.12 0.00 0.00 179.24 175.34 1a23 h ASN 45 N 0.00 0.99 -0.04 6.45 -0.73 0.66 -3.05 115.58 119.85 1a23 h ASN 45 Ca -0.01 -0.45 -0.12 0.00 1.87 0.00 0.00 56.30 57.59 1a23 h ASN 45 Cb 1.35 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.65 1a23 h ASN 45 CO 0.09 1.23 -0.35 -0.37 -0.37 0.00 0.00 177.43 177.67 1a23 h VAL 46 N 0.75 1.29 -0.92 2.57 -1.51 -1.59 -2.90 116.25 113.95 1a23 h VAL 46 Ca 0.07 -1.47 0.11 0.00 -1.23 0.00 0.00 66.70 64.18 1a23 h VAL 46 Cb 0.94 1.48 -0.07 0.00 -2.13 0.00 0.00 31.29 31.51 1a23 h VAL 46 CO 0.09 0.46 0.59 0.11 -1.23 0.00 0.00 177.57 177.59 1a23 h LYS 47 N 0.45 0.87 -0.86 5.19 1.57 -1.50 0.56 116.57 122.85 1a23 h LYS 47 Ca 0.05 -0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1a23 h LYS 47 Cb 0.82 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 1a23 h LYS 47 CO 0.07 0.58 0.56 -0.22 -0.57 0.00 0.00 179.45 179.86 1a23 h LYS 48 N 0.90 0.70 -0.88 3.15 3.64 -1.43 -0.57 116.57 122.08 1a23 h LYS 48 Ca 0.43 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 59.26 1a23 h LYS 48 Cb 0.45 -0.16 -0.28 0.00 -0.41 0.00 0.00 32.23 31.83 1a23 h LYS 48 CO -0.20 0.47 0.52 1.63 -2.27 0.00 0.00 179.45 179.60 1a23 n LYS 49 N -4.54 2.37 -3.59 1.90 5.02 0.16 -4.86 118.16 114.62 1a23 n LYS 49 Ca 0.16 -3.18 -0.40 0.00 -2.02 0.00 0.00 58.31 52.87 1a23 n LYS 49 Cb 0.41 -2.16 -0.08 0.00 -0.02 0.00 0.00 35.03 33.19 1a23 n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a23 s LEU 50 N -3.45 5.71 0.46 -0.35 1.43 -0.22 -4.86 118.68 117.39 1a23 s LEU 50 Ca 0.57 -2.59 -0.21 0.00 -1.03 0.00 0.00 54.13 50.86 1a23 s LEU 50 Cb 0.47 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 1a23 s LEU 50 CO 0.05 -0.49 1.04 -2.16 0.23 0.00 0.00 176.35 175.02 1a23 s PRO 51 N 0.33 3.91 -0.37 1.29 0.04 -1.26 -4.89 135.00 134.04 1a23 s PRO 51 Ca 0.15 1.39 -0.43 0.00 0.04 0.00 0.00 61.00 62.14 1a23 s PRO 51 Cb -0.19 -2.21 -0.18 0.00 0.04 0.00 0.00 34.50 31.97 1a23 s PRO 51 CO -0.04 -0.34 1.67 -1.91 0.04 0.00 0.00 177.00 176.42 1a23 n GLU 52 N -0.73 0.62 0.00 4.56 2.13 -1.26 -2.11 120.64 123.85 1a23 n GLU 52 Ca 0.08 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.13 1a23 n GLU 52 Cb 0.52 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1a23 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a23 n GLY 53 N 4.08 1.77 3.33 8.31 0.00 -1.26 -5.07 105.19 116.35 1a23 n GLY 53 Ca 0.28 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.85 1a23 n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a23 s VAL 54 N -1.28 5.21 -0.73 1.61 1.01 -0.90 -4.92 120.40 120.41 1a23 s VAL 54 Ca 0.00 -1.64 -0.27 0.00 0.00 0.00 0.00 61.98 60.08 1a23 s VAL 54 Cb 0.00 -4.42 0.02 0.00 0.00 0.00 0.00 36.38 31.98 1a23 s VAL 54 CO 0.00 -0.99 1.44 -0.54 0.00 0.00 0.00 175.10 175.01 1a23 s LYS 55 N 1.52 3.06 -0.57 2.72 -0.14 -1.26 -4.90 119.74 120.17 1a23 s LYS 55 Ca 0.10 -0.08 -0.20 0.00 -1.36 0.00 0.00 55.97 54.43 1a23 s LYS 55 Cb -0.23 -4.31 0.08 0.00 -1.68 0.00 0.00 37.83 31.69 1a23 s LYS 55 CO 0.00 -2.32 0.73 1.41 -0.76 0.00 0.00 175.35 174.42 1a23 s MET 56 N 6.04 3.09 -0.08 1.68 -2.45 -1.26 -1.16 119.30 125.17 1a23 s MET 56 Ca 0.44 -1.05 -0.05 0.00 -1.25 0.00 0.00 55.69 53.78 1a23 s MET 56 Cb -0.09 -4.20 -0.04 0.00 1.25 0.00 0.00 34.83 31.76 1a23 s MET 56 CO 0.15 -1.48 0.13 0.99 1.05 0.00 0.00 175.02 175.86 1a23 s THR 57 N 2.94 5.25 -0.23 10.11 2.01 -0.20 -4.98 115.64 130.54 1a23 s THR 57 Ca 0.15 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1a23 s THR 57 Cb -0.21 -3.33 0.05 0.00 0.01 0.00 0.00 72.50 69.01 1a23 s THR 57 CO 0.09 0.52 -0.14 -1.59 -0.69 0.00 0.00 174.62 172.81 1a23 s LYS 58 N -1.31 2.49 0.29 4.92 -2.85 -1.26 0.16 119.74 122.19 1a23 s LYS 58 Ca 0.19 -1.15 0.11 0.00 -1.00 0.00 0.00 55.97 54.11 1a23 s LYS 58 Cb -0.12 -2.76 -0.05 0.00 -2.06 0.00 0.00 37.83 32.84 1a23 s LYS 58 CO 0.08 -0.44 -0.12 0.71 0.10 0.00 0.00 175.35 175.68 1a23 s TYR 59 N 1.18 2.42 0.02 1.78 1.51 0.29 -4.93 117.35 119.62 1a23 s TYR 59 Ca -0.04 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.64 1a23 s TYR 59 Cb -0.17 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1a23 s TYR 59 CO -0.08 0.65 0.24 -1.58 -1.11 0.00 0.00 175.55 173.67 1a23 s HIS 60 N -2.49 3.55 0.25 2.71 2.46 -1.26 -2.00 115.29 118.51 1a23 s HIS 60 Ca 0.31 0.45 0.00 0.00 0.47 0.00 0.00 55.06 56.30 1a23 s HIS 60 Cb -0.04 -1.91 -0.04 0.00 -0.13 0.00 0.00 32.58 30.47 1a23 s HIS 60 CO 0.17 0.61 0.44 0.14 -2.47 0.00 0.00 174.74 173.62 1a23 s VAL 61 N -1.37 5.18 -0.37 0.89 -7.23 -1.26 -4.84 120.40 111.39 1a23 s VAL 61 Ca 0.30 -0.44 0.10 0.00 -1.81 0.00 0.00 61.98 60.13 1a23 s VAL 61 Cb -0.13 -3.78 0.44 0.00 0.56 0.00 0.00 36.38 33.47 1a23 s VAL 61 CO 0.19 -0.30 1.07 -0.46 -0.31 0.00 0.00 175.10 175.29 1a23 n ASN 62 N -1.06 3.51 -3.03 4.85 6.94 -1.26 -4.48 115.26 120.73 1a23 n ASN 62 Ca -0.05 -3.30 -0.15 0.00 -0.02 0.00 0.00 54.58 51.06 1a23 n ASN 62 Cb 0.55 -0.47 -0.01 0.00 -2.36 0.00 0.00 39.78 37.49 1a23 n ASN 62 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1a23 n PHE 63 N -0.38 0.33 -2.79 -2.53 -1.74 -1.26 -4.73 117.46 104.35 1a23 n PHE 63 Ca 0.28 -3.48 -0.10 0.00 -0.56 0.00 0.00 57.45 53.59 1a23 n PHE 63 Cb 0.75 -0.33 0.06 0.00 1.52 0.00 0.00 39.48 41.48 1a23 n PHE 63 CO 0.00 0.00 0.00 -0.12 -0.56 0.00 0.00 176.76 176.08 1a23 n MET 64 N 0.18 1.09 0.00 3.97 1.56 -1.26 -4.94 117.12 117.72 1a23 n MET 64 Ca 0.20 -2.48 0.00 0.00 -0.27 0.00 0.00 57.70 55.15 1a23 n MET 64 Cb 0.71 -0.90 0.00 0.00 2.15 0.00 0.00 33.22 35.17 1a23 n MET 64 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1a23 n GLY 65 N -0.05 4.04 1.54 -5.12 0.00 -1.26 -4.47 105.19 99.88 1a23 n GLY 65 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1a23 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a23 n GLY 66 N 0.00 2.31 0.00 -0.02 0.00 -1.26 -4.82 105.19 101.39 1a23 n GLY 66 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1a23 n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a23 n ASP 67 N 1.38 0.00 0.19 1.61 9.92 -1.26 -4.24 116.55 124.15 1a23 n ASP 67 Ca 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.35 1a23 n ASP 67 Cb 0.00 0.00 0.15 0.00 -0.64 0.00 0.00 41.12 40.63 1a23 n ASP 67 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 1a23 h LEU 68 N 0.00 0.00 -1.24 0.64 -0.00 -1.88 -3.20 115.31 109.63 1a23 h LEU 68 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1a23 h LEU 68 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 1a23 h LEU 68 CO 0.00 0.18 0.52 1.23 -0.00 0.00 0.00 178.44 180.38 1a23 h GLY 69 N 3.69 1.11 0.89 0.17 0.00 -1.82 1.29 103.07 108.40 1a23 h GLY 69 Ca -0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1a23 h GLY 69 CO 0.02 0.36 -0.25 1.70 0.00 0.00 0.00 176.54 178.37 1a23 h LYS 70 N 1.01 0.59 0.00 4.80 3.11 -1.73 -2.04 116.57 122.30 1a23 h LYS 70 Ca 0.31 -0.31 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1a23 h LYS 70 Cb -0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1a23 h LYS 70 CO -0.08 0.91 -0.46 0.22 -2.81 0.00 0.00 179.45 177.23 1a23 h ASP 71 N 0.29 0.00 0.51 4.20 3.58 -1.38 -2.36 116.42 121.26 1a23 h ASP 71 Ca 0.04 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 1a23 h ASP 71 Cb 0.81 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 1a23 h ASP 71 CO 0.06 0.46 -0.44 0.25 -2.88 0.00 0.00 179.24 176.69 1a23 h LEU 72 N 0.00 0.00 -0.48 2.28 6.46 0.18 -0.05 115.31 123.70 1a23 h LEU 72 Ca -0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1a23 h LEU 72 Cb 0.95 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1a23 h LEU 72 CO 0.06 0.44 0.10 0.74 -0.62 0.00 0.00 178.44 179.16 1a23 h THR 73 N 0.00 1.24 0.00 1.05 2.02 -0.85 0.22 112.91 116.59 1a23 h THR 73 Ca -0.00 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1a23 h THR 73 Cb 0.81 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1a23 h THR 73 CO 0.06 0.31 -0.01 -0.61 0.37 0.00 0.00 175.52 175.64 1a23 h GLN 74 N 0.66 0.00 -0.10 6.66 4.15 -0.88 -0.62 115.11 124.98 1a23 h GLN 74 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1a23 h GLN 74 Cb 0.36 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 1a23 h GLN 74 CO 0.01 0.01 0.03 0.00 -1.93 0.00 0.00 178.83 176.95 1a23 h ALA 75 N 1.99 0.13 -0.70 3.38 0.00 0.12 0.36 119.26 124.54 1a23 h ALA 75 Ca -0.00 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.90 1a23 h ALA 75 Cb 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1a23 h ALA 75 CO 0.00 -0.26 0.46 2.35 0.00 0.00 0.00 179.25 181.80 1a23 h TRP 76 N -0.03 0.56 0.00 0.00 2.91 -0.64 0.37 115.95 119.12 1a23 h TRP 76 Ca 0.03 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 1a23 h TRP 76 Cb 0.21 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1a23 h TRP 76 CO -0.00 0.25 -0.00 0.00 -1.03 0.00 0.00 178.44 177.66 1a23 h ALA 77 N 1.65 -0.00 0.00 2.65 0.00 -1.23 -2.27 119.26 120.06 1a23 h ALA 77 Ca 0.33 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1a23 h ALA 77 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a23 h ALA 77 CO -0.11 -0.02 -0.16 0.28 0.00 0.00 0.00 179.25 179.24 1a23 h VAL 78 N -0.97 0.79 0.00 0.00 2.07 0.06 -1.12 116.25 117.08 1a23 h VAL 78 Ca -0.00 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1a23 h VAL 78 Cb 0.93 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1a23 h VAL 78 CO 0.00 0.16 -0.31 0.00 0.02 0.00 0.00 177.57 177.44 1a23 h ALA 79 N 1.84 0.06 -0.32 1.67 0.00 -0.38 -3.13 119.26 119.00 1a23 h ALA 79 Ca -0.00 -0.56 0.09 0.00 0.00 0.00 0.00 54.91 54.44 1a23 h ALA 79 Cb 0.36 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1a23 h ALA 79 CO 0.02 0.19 0.34 1.98 0.00 0.00 0.00 179.25 181.78 1a23 h MET 80 N -1.00 0.00 -0.13 0.00 -1.53 -1.35 1.02 114.93 111.94 1a23 h MET 80 Ca -0.08 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.14 1a23 h MET 80 Cb 0.84 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.88 1a23 h MET 80 CO -0.05 0.00 -0.08 0.00 0.14 0.00 0.00 176.91 176.93 1a23 h ALA 81 N 1.62 0.18 -0.49 0.39 0.00 -1.26 -3.22 119.26 116.49 1a23 h ALA 81 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a23 h ALA 81 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1a23 h ALA 81 CO -0.00 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1a23 n LEU 82 N -4.65 3.64 -1.68 0.00 4.77 -0.05 -4.93 117.00 114.09 1a23 n LEU 82 Ca -0.06 -1.64 -0.20 0.00 -0.03 0.00 0.00 56.01 54.07 1a23 n LEU 82 Cb 0.30 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1a23 n LEU 82 CO 0.37 0.82 -0.20 0.61 -1.33 0.00 0.00 177.39 177.67 1a23 n GLY 83 N 1.57 1.64 0.49 -0.72 0.00 0.33 -4.82 105.19 103.68 1a23 n GLY 83 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1a23 n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a23 n VAL 84 N -2.53 0.24 0.02 1.61 0.24 -0.90 -4.40 118.33 112.61 1a23 n VAL 84 Ca -0.21 -0.32 -0.05 0.00 -2.04 0.00 0.00 64.34 61.72 1a23 n VAL 84 Cb 0.67 0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 33.25 1a23 n VAL 84 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1a23 h GLU 85 N 1.82 -0.22 -1.29 7.34 4.81 -1.88 0.13 114.58 125.28 1a23 h GLU 85 Ca 0.00 0.02 0.40 0.00 -0.13 0.00 0.00 59.36 59.65 1a23 h GLU 85 Cb 0.40 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.72 1a23 h GLU 85 CO 0.00 -0.15 0.85 -0.44 -0.73 0.00 0.00 179.01 178.54 1a23 h ASP 86 N -0.23 0.25 0.02 1.04 3.32 -1.96 0.92 116.42 119.79 1a23 h ASP 86 Ca 0.00 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1a23 h ASP 86 Cb 0.25 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1a23 h ASP 86 CO -0.12 -0.11 -0.01 0.11 -1.72 0.00 0.00 179.24 177.39 1a23 h LYS 87 N 0.14 -0.03 0.00 3.56 1.57 -1.51 -3.32 116.57 116.98 1a23 h LYS 87 Ca 0.77 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.55 1a23 h LYS 87 Cb 2.41 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.73 1a23 h LYS 87 CO -0.35 0.62 -0.13 1.33 -0.57 0.00 0.00 179.45 180.36 1a23 n VAL 88 N -4.71 0.16 -0.05 0.50 0.24 0.33 -3.73 118.33 111.08 1a23 n VAL 88 Ca -0.07 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.34 62.00 1a23 n VAL 88 Cb 0.32 -0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 32.24 1a23 n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1a23 h THR 89 N 0.00 1.36 0.29 3.34 2.02 0.71 -0.41 112.91 120.22 1a23 h THR 89 Ca 0.00 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1a23 h THR 89 Cb 0.57 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 1a23 h THR 89 CO 0.00 0.49 -0.32 0.58 0.37 0.00 0.00 175.52 176.64 1a23 h VAL 90 N 0.11 0.33 0.00 3.16 2.07 -1.65 2.25 116.25 122.51 1a23 h VAL 90 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1a23 h VAL 90 Cb 0.95 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1a23 h VAL 90 CO 0.08 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.22 1a23 h PRO 91 N -0.65 0.00 0.09 1.57 0.13 -1.71 -1.59 132.00 129.84 1a23 h PRO 91 Ca -0.01 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.88 1a23 h PRO 91 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1a23 h PRO 91 CO -0.08 0.00 -1.22 -0.07 -0.23 0.00 0.00 178.00 176.40 1a23 h LEU 92 N 0.00 0.31 -0.17 1.56 3.38 0.07 -2.20 115.31 118.26 1a23 h LEU 92 Ca 0.00 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.13 1a23 h LEU 92 Cb 0.49 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1a23 h LEU 92 CO 0.00 1.53 0.08 -0.26 0.09 0.00 0.00 178.44 179.89 1a23 h PHE 93 N -0.45 0.24 0.00 1.13 -1.00 0.38 -1.65 116.94 115.59 1a23 h PHE 93 Ca -0.27 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.43 1a23 h PHE 93 Cb 1.63 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 41.10 1a23 h PHE 93 CO 0.14 0.26 -0.32 0.93 -1.61 0.00 0.00 178.31 177.72 1a23 h GLU 94 N 0.15 0.00 0.00 1.51 5.08 -1.45 -2.53 114.58 117.34 1a23 h GLU 94 Ca 0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1a23 h GLU 94 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1a23 h GLU 94 CO -0.01 0.32 -0.62 0.78 -1.00 0.00 0.00 179.01 178.48 1a23 h GLY 95 N 2.19 0.00 0.40 -3.84 0.00 -0.92 -2.46 103.07 98.45 1a23 h GLY 95 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a23 h GLY 95 CO 0.04 0.00 -1.21 -0.62 0.00 0.00 0.00 176.54 174.75 1a23 n VAL 96 N -3.49 0.13 0.28 4.60 0.31 -0.66 -2.93 118.33 116.56 1a23 n VAL 96 Ca 0.00 -0.27 0.04 0.00 -0.01 0.00 0.00 64.34 64.11 1a23 n VAL 96 Cb 0.69 0.27 0.05 0.00 -0.91 0.00 0.00 33.84 33.95 1a23 n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a23 n GLN 97 N -1.98 0.73 -2.70 5.55 6.02 -0.96 -4.47 117.38 119.58 1a23 n GLN 97 Ca 0.01 -1.20 -0.06 0.00 -0.01 0.00 0.00 57.00 55.74 1a23 n GLN 97 Cb 0.45 -1.18 0.09 0.00 1.02 0.00 0.00 30.24 30.62 1a23 n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1a23 n LYS 98 N 0.47 1.26 0.00 -1.09 5.02 -0.93 -4.94 118.16 117.95 1a23 n LYS 98 Ca 0.06 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.07 1a23 n LYS 98 Cb 0.25 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 1a23 n LYS 98 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1a23 n THR 99 N -0.60 0.00 -1.22 -0.18 -2.24 -1.26 -4.90 114.28 103.87 1a23 n THR 99 Ca -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1a23 n THR 99 Cb 0.84 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 1a23 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a23 n GLN 100 N -1.81 -0.71 0.00 -0.78 6.02 -1.15 -4.86 117.38 114.09 1a23 n GLN 100 Ca 0.00 0.72 0.14 0.00 -0.01 0.00 0.00 57.00 57.85 1a23 n GLN 100 Cb 0.00 -4.58 0.62 0.00 1.02 0.00 0.00 30.24 27.30 1a23 n GLN 100 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1a23 n THR 101 N -2.69 0.00 -2.91 5.09 5.66 -1.25 -4.44 114.28 113.75 1a23 n THR 101 Ca -0.08 -0.02 -0.44 0.00 -3.05 0.00 0.00 64.05 60.46 1a23 n THR 101 Cb 0.30 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1a23 n THR 101 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1a23 n ILE 102 N -1.22 4.28 -2.26 1.09 2.08 -1.25 -4.56 119.36 117.51 1a23 n ILE 102 Ca 0.12 -4.73 0.02 0.00 0.56 0.00 0.00 62.75 58.71 1a23 n ILE 102 Cb 0.29 -2.46 0.01 0.00 -0.75 0.00 0.00 39.64 36.72 1a23 n ILE 102 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1a23 n ARG 103 N 5.33 0.00 -3.72 0.38 3.00 -1.26 -4.94 116.66 115.45 1a23 n ARG 103 Ca 0.37 -1.48 -0.12 0.00 -0.01 0.00 0.00 57.85 56.61 1a23 n ARG 103 Cb 0.42 -0.16 -0.11 0.00 0.00 0.00 0.00 32.46 32.61 1a23 n ARG 103 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1a23 s SER 104 N -1.48 -0.43 0.45 0.55 1.04 -1.26 -4.52 113.70 108.06 1a23 s SER 104 Ca 0.18 0.78 0.22 0.00 0.48 0.00 0.00 55.95 57.60 1a23 s SER 104 Cb 0.20 0.71 1.20 0.00 0.10 0.00 0.00 66.02 68.23 1a23 s SER 104 CO -0.09 -0.16 1.87 0.00 0.98 0.00 0.00 173.24 175.84 1a23 h ALA 105 N 6.54 2.38 -0.30 5.32 0.00 -1.85 1.09 119.26 132.45 1a23 h ALA 105 Ca -0.34 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1a23 h ALA 105 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1a23 h ALA 105 CO 0.30 -0.66 0.03 0.66 0.00 0.00 0.00 179.25 179.59 1a23 h SER 106 N 0.28 0.40 -0.01 0.00 4.64 -1.98 -2.28 113.55 114.60 1a23 h SER 106 Ca 0.45 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1a23 h SER 106 Cb 1.31 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1a23 h SER 106 CO -0.13 0.44 -0.00 -2.24 -0.87 0.00 0.00 176.83 174.03 1a23 h ASP 107 N 0.43 0.02 -1.05 4.97 3.04 0.88 -2.34 116.42 122.37 1a23 h ASP 107 Ca 0.10 -0.37 0.30 0.00 -3.24 0.00 0.00 57.03 53.82 1a23 h ASP 107 Cb 0.23 -0.01 -0.04 0.00 -1.04 0.00 0.00 39.33 38.47 1a23 h ASP 107 CO 0.00 0.39 0.76 0.40 -2.04 0.00 0.00 179.24 178.75 1a23 h ILE 108 N -0.35 0.47 -0.10 4.15 2.04 -0.94 0.52 117.51 123.31 1a23 h ILE 108 Ca 0.00 -0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.62 1a23 h ILE 108 Cb 0.38 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1a23 h ILE 108 CO 0.00 0.00 -0.86 0.03 0.00 0.00 0.00 178.15 177.33 1a23 h ARG 109 N 0.01 0.74 -0.60 2.37 3.08 -0.97 -2.18 114.38 116.83 1a23 h ARG 109 Ca 0.50 -0.66 0.07 0.00 0.07 0.00 0.00 59.98 59.96 1a23 h ARG 109 Cb 2.00 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 32.15 1a23 h ARG 109 CO -0.01 1.26 0.29 -0.44 -1.07 0.00 0.00 179.97 180.00 1a23 h ASP 110 N 0.48 0.39 -0.17 7.04 5.19 0.54 0.23 116.42 130.13 1a23 h ASP 110 Ca -0.07 0.05 -0.19 0.00 -0.62 0.00 0.00 57.03 56.19 1a23 h ASP 110 Cb 1.49 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.98 1a23 h ASP 110 CO 0.17 0.25 -0.61 0.58 -3.12 0.00 0.00 179.24 176.51 1a23 h VAL 111 N 0.54 1.29 -0.20 -1.35 2.07 -1.49 -1.80 116.25 115.31 1a23 h VAL 111 Ca 0.28 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1a23 h VAL 111 Cb 0.24 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1a23 h VAL 111 CO -0.21 0.58 0.11 -0.26 0.02 0.00 0.00 177.57 177.81 1a23 h PHE 112 N 0.58 0.27 0.00 1.57 0.04 -0.69 -2.12 116.94 116.60 1a23 h PHE 112 Ca -0.00 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1a23 h PHE 112 Cb 1.21 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.26 1a23 h PHE 112 CO 0.07 0.24 -0.23 0.82 -0.60 0.00 0.00 178.31 178.61 1a23 h ILE 113 N 0.23 0.73 0.00 -0.55 2.04 -0.58 -2.51 117.51 116.88 1a23 h ILE 113 Ca 0.07 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1a23 h ILE 113 Cb 0.06 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1a23 h ILE 113 CO -0.01 0.22 -0.13 -1.13 0.00 0.00 0.00 178.15 177.10 1a23 h ASN 114 N 0.00 0.00 -0.21 1.72 -0.73 -0.62 -1.21 115.58 114.53 1a23 h ASN 114 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1a23 h ASN 114 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1a23 h ASN 114 CO 0.03 0.13 0.00 0.00 -0.37 0.00 0.00 177.43 177.22 1a23 n ALA 115 N -2.32 2.50 -0.59 1.57 0.00 -0.96 -4.87 120.51 115.84 1a23 n ALA 115 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1a23 n ALA 115 Cb 0.23 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1a23 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a23 n GLY 116 N 1.02 0.73 2.67 0.00 0.00 -0.46 -4.97 105.19 104.19 1a23 n GLY 116 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1a23 n GLY 116 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1a23 n ILE 117 N -2.43 4.91 -1.33 -0.61 -0.00 -1.13 -5.01 119.36 113.76 1a23 n ILE 117 Ca 0.00 -4.49 -0.41 0.00 -0.00 0.00 0.00 62.75 57.85 1a23 n ILE 117 Cb 0.00 -2.18 0.00 0.00 -0.00 0.00 0.00 39.64 37.47 1a23 n ILE 117 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1a23 n LYS 118 N 2.53 0.13 -0.00 0.38 5.02 -1.26 -3.97 118.16 120.99 1a23 n LYS 118 Ca 0.51 0.05 0.23 0.00 -2.02 0.00 0.00 58.31 57.08 1a23 n LYS 118 Cb 0.30 -1.13 0.71 0.00 -0.02 0.00 0.00 35.03 34.89 1a23 n LYS 118 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1a23 h GLY 119 N 0.33 0.00 0.85 0.72 0.00 -1.94 0.92 103.07 103.95 1a23 h GLY 119 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1a23 h GLY 119 CO 0.47 0.00 0.05 -2.09 0.00 0.00 0.00 176.54 174.96 1a23 h GLU 120 N 0.00 0.24 0.10 4.80 4.81 -1.98 0.32 114.58 122.86 1a23 h GLU 120 Ca 0.28 -0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 59.18 1a23 h GLU 120 Cb 1.40 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.76 1a23 h GLU 120 CO -0.00 0.37 -1.18 0.93 -0.73 0.00 0.00 179.01 178.40 1a23 h GLU 121 N 0.07 0.50 0.09 1.92 5.08 -1.22 -2.28 114.58 118.75 1a23 h GLU 121 Ca 0.05 -0.66 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1a23 h GLU 121 Cb 0.23 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1a23 h GLU 121 CO -0.00 1.28 -0.04 -0.92 -1.00 0.00 0.00 179.01 178.32 1a23 h TYR 122 N 0.22 -0.11 -0.73 4.33 5.03 -0.92 0.87 116.97 125.65 1a23 h TYR 122 Ca -0.15 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.13 1a23 h TYR 122 Cb 1.85 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 40.13 1a23 h TYR 122 CO 0.09 0.11 0.36 0.22 -1.32 0.00 0.00 178.16 177.62 1a23 h ASP 123 N -0.32 0.94 -0.27 -2.11 3.58 -0.45 -0.99 116.42 116.78 1a23 h ASP 123 Ca -0.01 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 1a23 h ASP 123 Cb 0.27 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1a23 h ASP 123 CO 0.02 0.78 0.13 0.00 -2.88 0.00 0.00 179.24 177.30 1a23 h ALA 124 N 1.36 0.35 0.23 -0.78 0.00 -1.19 0.11 119.26 119.34 1a23 h ALA 124 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a23 h ALA 124 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1a23 h ALA 124 CO -0.03 -0.09 -0.24 0.00 0.00 0.00 0.00 179.25 178.89 1a23 h ALA 125 N 0.99 -0.49 0.00 0.00 0.00 -0.27 0.37 119.26 119.86 1a23 h ALA 125 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1a23 h ALA 125 Cb 0.12 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1a23 h ALA 125 CO -0.01 -0.80 -0.29 2.35 0.00 0.00 0.00 179.25 180.50 1a23 h TRP 126 N -0.51 -0.79 0.00 0.00 7.01 -1.03 0.13 115.95 120.78 1a23 h TRP 126 Ca -0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1a23 h TRP 126 Cb 0.47 0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 1a23 h TRP 126 CO -0.16 -0.38 0.10 -0.91 -2.79 0.00 0.00 178.44 174.29 1a23 h ASN 127 N -0.44 0.00 -3.29 2.65 -0.26 -0.46 -3.32 115.58 110.47 1a23 h ASN 127 Ca 0.06 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.46 1a23 h ASN 127 Cb 0.52 0.00 0.16 0.00 -1.06 0.00 0.00 38.32 37.94 1a23 h ASN 127 CO -0.25 0.00 0.22 -1.20 -1.06 0.00 0.00 177.43 175.14 1a23 n SER 128 N -2.47 -0.97 -0.01 5.81 7.64 0.47 -4.96 113.62 119.13 1a23 n SER 128 Ca -0.02 -1.22 -0.21 0.00 1.01 0.00 0.00 58.87 58.43 1a23 n SER 128 Cb 0.14 -0.85 -0.14 0.00 -1.01 0.00 0.00 64.21 62.35 1a23 n SER 128 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1a23 n PHE 129 N -4.03 1.21 -0.07 1.43 3.72 -1.26 -3.29 117.46 115.16 1a23 n PHE 129 Ca 0.13 0.27 -0.11 0.00 -0.05 0.00 0.00 57.45 57.70 1a23 n PHE 129 Cb 0.49 -1.16 -0.04 0.00 -0.94 0.00 0.00 39.48 37.83 1a23 n PHE 129 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1a23 h VAL 130 N -0.00 1.21 -0.41 -4.37 2.07 -1.93 0.42 116.25 113.23 1a23 h VAL 130 Ca -0.43 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 1a23 h VAL 130 Cb 1.98 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1a23 h VAL 130 CO 0.06 0.21 -0.14 0.58 0.02 0.00 0.00 177.57 178.30 1a23 h VAL 131 N 0.20 1.26 -0.33 2.57 2.07 -1.76 -2.28 116.25 117.98 1a23 h VAL 131 Ca 0.07 -1.21 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 1a23 h VAL 131 Cb 0.27 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1a23 h VAL 131 CO 0.00 0.41 -0.31 0.50 0.02 0.00 0.00 177.57 178.19 1a23 h LYS 132 N 0.68 0.70 -0.34 1.57 3.64 -1.49 -1.37 116.57 119.95 1a23 h LYS 132 Ca 0.11 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1a23 h LYS 132 Cb 0.62 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1a23 h LYS 132 CO 0.04 0.92 0.08 1.03 -2.27 0.00 0.00 179.45 179.25 1a23 h SER 133 N 0.59 0.45 1.29 4.20 0.87 0.25 0.25 113.55 121.44 1a23 h SER 133 Ca 0.07 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 1a23 h SER 133 Cb 0.82 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1a23 h SER 133 CO 0.07 0.46 -0.57 -0.07 -0.53 0.00 0.00 176.83 176.19 1a23 h LEU 134 N 0.48 0.00 -0.02 2.23 3.38 -1.07 -2.27 115.31 118.04 1a23 h LEU 134 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1a23 h LEU 134 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1a23 h LEU 134 CO -0.00 0.57 -0.14 0.58 0.09 0.00 0.00 178.44 179.53 1a23 h VAL 135 N 0.00 1.50 0.54 1.22 2.07 -0.04 -0.62 116.25 120.92 1a23 h VAL 135 Ca -0.01 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 1a23 h VAL 135 Cb 1.37 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.67 1a23 h VAL 135 CO 0.07 0.46 -0.37 0.00 0.02 0.00 0.00 177.57 177.75 1a23 h ALA 136 N 0.35 -0.91 0.00 1.67 0.00 -0.61 -0.01 119.26 119.75 1a23 h ALA 136 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a23 h ALA 136 Cb 0.82 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1a23 h ALA 136 CO 0.03 -1.03 -0.00 0.37 0.00 0.00 0.00 179.25 178.61 1a23 h GLN 137 N -0.88 0.00 0.19 0.00 4.15 -1.49 -0.03 115.11 117.05 1a23 h GLN 137 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1a23 h GLN 137 Cb 0.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1a23 h GLN 137 CO 0.04 0.00 -0.09 1.96 -1.93 0.00 0.00 178.83 178.81 1a23 h GLN 138 N 0.00 -0.25 -0.72 1.69 1.08 0.39 0.31 115.11 117.61 1a23 h GLN 138 Ca -0.00 0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.42 1a23 h GLN 138 Cb 0.01 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1a23 h GLN 138 CO 0.00 -0.17 0.51 1.49 -0.95 0.00 0.00 178.83 179.72 1a23 h GLU 139 N -0.53 0.05 0.05 1.46 4.81 -0.86 -0.01 114.58 119.54 1a23 h GLU 139 Ca -0.03 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1a23 h GLU 139 Cb 0.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1a23 h GLU 139 CO 0.04 0.03 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.11 1a23 h LYS 140 N 0.05 -0.06 -0.82 1.92 3.64 -0.98 -1.63 116.57 118.68 1a23 h LYS 140 Ca 0.35 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.84 1a23 h LYS 140 Cb 1.31 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 33.02 1a23 h LYS 140 CO -0.02 0.51 -0.47 0.00 -2.27 0.00 0.00 179.45 177.20 1a23 h ALA 141 N 0.19 -0.26 0.00 5.00 0.00 0.16 1.39 119.26 125.74 1a23 h ALA 141 Ca -0.01 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1a23 h ALA 141 Cb 0.60 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1a23 h ALA 141 CO 0.01 -0.82 -0.24 0.00 0.00 0.00 0.00 179.25 178.21 1a23 h ALA 142 N 0.79 1.04 0.00 0.00 0.00 -1.58 -2.72 119.26 116.79 1a23 h ALA 142 Ca 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1a23 h ALA 142 Cb 0.53 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a23 h ALA 142 CO -0.85 0.30 -0.59 0.00 0.00 0.00 0.00 179.25 178.10 1a23 h ALA 143 N 1.76 0.73 0.00 0.00 0.00 0.14 0.15 119.26 122.04 1a23 h ALA 143 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1a23 h ALA 143 Cb 0.73 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1a23 h ALA 143 CO 0.03 0.16 -0.49 -0.44 0.00 0.00 0.00 179.25 178.51 1a23 h ASP 144 N 0.00 0.00 1.85 0.00 3.32 0.16 -3.34 116.42 118.41 1a23 h ASP 144 Ca -0.02 -0.62 -0.02 0.00 0.02 0.00 0.00 57.03 56.39 1a23 h ASP 144 Cb 1.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1a23 h ASP 144 CO 0.01 1.10 -0.15 -0.37 -1.72 0.00 0.00 179.24 178.11 1a23 h VAL 145 N -1.00 0.12 0.00 -1.35 -1.51 -1.64 -3.48 116.25 107.39 1a23 h VAL 145 Ca -0.12 -1.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 1a23 h VAL 145 Cb 0.95 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 1a23 h VAL 145 CO -0.08 0.07 0.00 1.67 -1.23 0.00 0.00 177.57 178.01 1a23 n GLN 146 N -3.09 0.00 -1.31 5.19 7.27 0.52 -4.88 117.38 121.07 1a23 n GLN 146 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1a23 n GLN 146 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 1a23 n GLN 146 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1a23 n LEU 147 N 0.00 -2.71 -0.81 1.69 7.94 -1.23 -4.70 117.00 117.18 1a23 n LEU 147 Ca 0.00 2.48 -0.04 0.00 -1.11 0.00 0.00 56.01 57.33 1a23 n LEU 147 Cb 0.00 -2.21 -0.04 0.00 0.53 0.00 0.00 43.42 41.70 1a23 n LEU 147 CO 0.00 0.18 0.31 -1.14 -1.11 0.00 0.00 177.39 175.63 1a23 n ARG 148 N -0.67 0.00 0.00 1.96 0.63 -1.26 -5.10 116.66 112.22 1a23 n ARG 148 Ca 0.00 -0.64 0.00 0.00 -0.92 0.00 0.00 57.85 56.29 1a23 n ARG 148 Cb 0.00 0.30 0.00 0.00 0.45 0.00 0.00 32.46 33.21 1a23 n ARG 148 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a23 n GLY 149 N 0.01 0.34 3.79 5.14 0.00 -1.26 -5.14 105.19 108.07 1a23 n GLY 149 Ca -0.17 0.64 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 1a23 n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a23 s VAL 150 N 0.00 4.61 0.42 1.61 -7.23 -1.26 -2.97 120.40 115.58 1a23 s VAL 150 Ca 0.00 1.41 -0.23 0.00 -1.81 0.00 0.00 61.98 61.35 1a23 s VAL 150 Cb 0.00 -4.00 -0.09 0.00 0.56 0.00 0.00 36.38 32.85 1a23 s VAL 150 CO 0.00 0.53 1.02 -2.16 -0.31 0.00 0.00 175.10 174.18 1a23 s PRO 151 N -1.03 4.14 0.07 4.82 0.04 -1.26 -5.05 135.00 136.72 1a23 s PRO 151 Ca 0.32 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.79 1a23 s PRO 151 Cb -0.21 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 1a23 s PRO 151 CO 0.22 -0.14 -0.13 0.00 0.04 0.00 0.00 177.00 176.98 1a23 s ALA 152 N -1.82 1.09 -0.00 8.56 0.00 -0.79 -4.71 121.76 124.08 1a23 s ALA 152 Ca 0.60 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1a23 s ALA 152 Cb -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1a23 s ALA 152 CO 0.23 0.14 -0.00 1.41 0.00 0.00 0.00 175.76 177.53 1a23 s MET 153 N -1.73 0.04 -0.11 0.00 1.75 -1.26 0.21 119.30 118.20 1a23 s MET 153 Ca -0.03 -0.01 -0.01 0.00 -1.25 0.00 0.00 55.69 54.39 1a23 s MET 153 Cb -0.10 -0.05 0.03 0.00 2.84 0.00 0.00 34.83 37.55 1a23 s MET 153 CO 0.02 0.00 -0.06 -0.06 -0.65 0.00 0.00 175.02 174.28 1a23 s PHE 154 N 0.03 1.32 -0.19 4.11 0.08 0.72 -1.73 117.98 122.32 1a23 s PHE 154 Ca -0.00 -0.64 -0.18 0.00 0.12 0.00 0.00 56.93 56.22 1a23 s PHE 154 Cb -0.01 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.27 1a23 s PHE 154 CO -0.00 -0.48 0.52 0.08 -0.10 0.00 0.00 175.22 175.23 1a23 s VAL 155 N 1.76 5.12 -1.05 -0.44 1.01 0.31 0.14 120.40 127.25 1a23 s VAL 155 Ca 0.05 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1a23 s VAL 155 Cb -0.13 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1a23 s VAL 155 CO -0.08 0.20 0.00 -3.20 0.00 0.00 0.00 175.10 172.02 1a23 n ASN 156 N 4.61 -2.99 -3.59 3.32 5.15 0.26 -1.22 115.26 120.80 1a23 n ASN 156 Ca -0.05 0.25 -0.22 0.00 -0.60 0.00 0.00 54.58 53.97 1a23 n ASN 156 Cb 0.51 -2.79 0.05 0.00 -0.53 0.00 0.00 39.78 37.02 1a23 n ASN 156 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1a23 n GLY 157 N -0.37 -0.60 0.00 8.20 0.00 -1.24 -4.43 105.19 106.75 1a23 n GLY 157 Ca -0.11 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1a23 n GLY 157 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a23 n LYS 158 N -4.04 0.00 -3.94 1.61 4.81 -0.36 -0.03 118.16 116.21 1a23 n LYS 158 Ca -0.21 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 56.96 1a23 n LYS 158 Cb 0.65 -0.02 -0.17 0.00 0.02 0.00 0.00 35.03 35.51 1a23 n LYS 158 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1a23 s TYR 159 N -1.00 1.51 -0.17 5.64 1.51 -0.93 -2.96 117.35 120.95 1a23 s TYR 159 Ca 0.00 -0.75 -0.07 0.00 -1.01 0.00 0.00 57.07 55.24 1a23 s TYR 159 Cb 0.00 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1a23 s TYR 159 CO 0.00 -0.51 0.06 1.14 -1.11 0.00 0.00 175.55 175.12 1a23 s GLN 160 N 1.65 3.88 1.25 -0.62 -2.07 -0.65 0.12 119.66 123.22 1a23 s GLN 160 Ca 0.04 -0.35 -0.20 0.00 -1.82 0.00 0.00 55.36 53.03 1a23 s GLN 160 Cb -0.13 -3.17 0.31 0.00 -1.09 0.00 0.00 33.01 28.93 1a23 s GLN 160 CO -0.08 0.32 1.07 -0.51 -1.32 0.00 0.00 175.29 174.78 1a23 s LEU 161 N 0.22 0.32 -0.35 2.60 1.43 -0.71 -1.30 118.68 120.89 1a23 s LEU 161 Ca 0.04 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 1a23 s LEU 161 Cb -0.12 -2.32 0.15 0.00 0.03 0.00 0.00 46.19 43.93 1a23 s LEU 161 CO 0.01 -4.40 0.34 0.21 0.23 0.00 0.00 176.35 172.73 1a23 s ASN 162 N -3.75 1.48 -0.03 2.29 2.47 0.18 -4.60 114.94 112.98 1a23 s ASN 162 Ca 0.71 -1.45 0.05 0.00 0.42 0.00 0.00 52.86 52.58 1a23 s ASN 162 Cb -0.10 0.45 0.20 0.00 -1.45 0.00 0.00 41.25 40.34 1a23 s ASN 162 CO 0.56 -0.29 0.99 -0.81 -3.72 0.00 0.00 177.10 173.83 1a23 n PRO 163 N 4.47 1.75 -0.35 0.43 -0.04 -1.26 -4.50 135.00 135.49 1a23 n PRO 163 Ca 0.08 -0.78 0.36 0.00 -0.04 0.00 0.00 63.50 63.13 1a23 n PRO 163 Cb 0.45 -1.43 0.63 0.00 -0.04 0.00 0.00 33.50 33.11 1a23 n PRO 163 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1a23 h GLN 164 N 1.12 0.00 0.00 0.54 4.15 -1.91 -3.17 115.11 115.84 1a23 h GLN 164 Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 1a23 h GLN 164 Cb 0.58 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.13 1a23 h GLN 164 CO 0.07 0.00 -0.23 0.41 -1.93 0.00 0.00 178.83 177.14 1a23 n GLY 165 N -1.77 0.64 2.92 2.39 0.00 -1.26 -5.08 105.19 103.03 1a23 n GLY 165 Ca 0.29 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 1a23 n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a23 s MET 166 N 0.17 1.97 -0.41 1.61 -1.94 -1.20 -4.90 119.30 114.60 1a23 s MET 166 Ca 0.18 -2.65 0.09 0.00 -1.71 0.00 0.00 55.69 51.61 1a23 s MET 166 Cb 0.31 -3.24 0.30 0.00 2.01 0.00 0.00 34.83 34.21 1a23 s MET 166 CO -0.07 -1.13 0.76 -3.47 -0.01 0.00 0.00 175.02 171.09 1a23 n ASP 167 N 3.03 -0.34 0.00 3.03 2.03 -1.26 -5.06 116.55 117.98 1a23 n ASP 167 Ca 0.07 -3.08 0.00 0.00 0.52 0.00 0.00 54.79 52.30 1a23 n ASP 167 Cb 0.33 0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1a23 n ASP 167 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1a23 n THR 168 N 0.76 0.00 -1.88 5.18 -2.24 -1.26 -5.03 114.28 109.81 1a23 n THR 168 Ca 0.19 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.93 1a23 n THR 168 Cb 0.63 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1a23 n THR 168 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1a23 n SER 169 N -0.31 -0.54 -3.26 3.42 7.64 -1.26 -5.06 113.62 114.25 1a23 n SER 169 Ca 0.00 -1.37 -0.15 0.00 1.01 0.00 0.00 58.87 58.37 1a23 n SER 169 Cb 0.00 0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 1a23 n SER 169 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1a23 s ASN 170 N -0.54 0.53 0.44 6.43 0.01 -1.26 -4.94 114.94 115.61 1a23 s ASN 170 Ca 0.00 -1.77 0.30 0.00 -0.71 0.00 0.00 52.86 50.68 1a23 s ASN 170 Cb 0.00 0.75 1.31 0.00 0.41 0.00 0.00 41.25 43.72 1a23 s ASN 170 CO 0.00 -0.20 1.90 0.24 -1.51 0.00 0.00 177.10 177.53 1a23 h MET 171 N 6.50 0.00 0.63 -0.60 2.86 -1.99 -2.65 114.93 119.69 1a23 h MET 171 Ca 0.09 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1a23 h MET 171 Cb 1.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.72 1a23 h MET 171 CO 0.19 0.00 -0.30 -0.44 1.06 0.00 0.00 176.91 177.41 1a23 h ASP 172 N 0.00 -0.72 -0.89 1.22 3.32 -1.99 -1.05 116.42 116.30 1a23 h ASP 172 Ca 0.00 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.12 1a23 h ASP 172 Cb 0.38 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 1a23 h ASP 172 CO 0.00 -0.39 0.59 0.58 -1.72 0.00 0.00 179.24 178.30 1a23 h VAL 173 N -1.11 1.12 -0.08 -1.35 2.07 -1.95 0.05 116.25 115.00 1a23 h VAL 173 Ca -0.09 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1a23 h VAL 173 Cb 0.65 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1a23 h VAL 173 CO 0.14 0.20 0.03 0.15 0.02 0.00 0.00 177.57 178.11 1a23 h PHE 174 N 1.08 0.05 0.00 1.57 3.04 -1.45 0.70 116.94 121.94 1a23 h PHE 174 Ca 0.37 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.24 1a23 h PHE 174 Cb 0.08 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 1a23 h PHE 174 CO -0.00 0.03 -0.36 0.28 -2.02 0.00 0.00 178.31 176.24 1a23 h VAL 175 N 0.07 1.18 0.00 1.41 2.07 -0.45 0.11 116.25 120.64 1a23 h VAL 175 Ca 0.03 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 1a23 h VAL 175 Cb 0.01 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1a23 h VAL 175 CO -0.03 0.35 -0.25 1.56 0.02 0.00 0.00 177.57 179.22 1a23 h GLN 176 N 0.00 0.00 -0.97 1.57 4.20 -0.48 -2.35 115.11 117.08 1a23 h GLN 176 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1a23 h GLN 176 Cb 0.67 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 1a23 h GLN 176 CO 0.05 0.62 0.64 1.96 -0.67 0.00 0.00 178.83 181.42 1a23 h GLN 177 N -1.00 1.23 0.42 1.46 4.20 0.36 0.12 115.11 121.91 1a23 h GLN 177 Ca -0.06 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 1a23 h GLN 177 Cb 0.71 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1a23 h GLN 177 CO -0.03 0.82 -0.20 -0.92 -0.67 0.00 0.00 178.83 177.82 1a23 h TYR 178 N 1.27 -0.53 -0.10 2.96 5.03 -0.90 0.32 116.97 125.02 1a23 h TYR 178 Ca 0.37 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.70 1a23 h TYR 178 Cb -0.08 0.17 -0.00 0.00 1.55 0.00 0.00 36.73 38.37 1a23 h TYR 178 CO -0.00 -0.26 0.08 0.00 -1.32 0.00 0.00 178.16 176.66 1a23 h ALA 179 N -0.17 1.96 -0.03 1.82 0.00 -1.03 -1.25 119.26 120.55 1a23 h ALA 179 Ca -0.06 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1a23 h ALA 179 Cb 0.50 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1a23 h ALA 179 CO 0.10 -0.14 -0.96 0.22 0.00 0.00 0.00 179.25 178.47 1a23 h ASP 180 N 0.00 0.83 -0.59 0.00 3.58 -0.27 -1.42 116.42 118.55 1a23 h ASP 180 Ca 0.05 -0.63 -0.08 0.00 0.42 0.00 0.00 57.03 56.79 1a23 h ASP 180 Cb 0.22 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1a23 h ASP 180 CO -0.00 1.43 0.06 0.74 -2.88 0.00 0.00 179.24 178.59 1a23 h THR 181 N 0.39 1.26 -0.03 2.25 2.02 0.20 -2.03 112.91 116.97 1a23 h THR 181 Ca -0.10 -1.06 -0.20 0.00 0.77 0.00 0.00 66.41 65.82 1a23 h THR 181 Cb 1.60 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1a23 h THR 181 CO 0.18 0.39 -0.84 0.58 0.37 0.00 0.00 175.52 176.21 1a23 h VAL 182 N 0.96 1.41 0.23 3.16 2.07 -1.39 0.12 116.25 122.81 1a23 h VAL 182 Ca 0.18 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 1a23 h VAL 182 Cb 0.47 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1a23 h VAL 182 CO 0.02 0.70 -0.11 0.50 0.02 0.00 0.00 177.57 178.70 1a23 h LYS 183 N 0.22 -0.30 -0.08 1.57 3.64 -1.01 -1.62 116.57 119.00 1a23 h LYS 183 Ca -0.05 0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 1a23 h LYS 183 Cb 1.45 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1a23 h LYS 183 CO 0.14 -0.18 -0.80 -0.92 -2.27 0.00 0.00 179.45 175.43 1a23 h TYR 184 N -0.33 0.74 -0.08 1.91 3.20 -1.43 -2.93 116.97 118.04 1a23 h TYR 184 Ca -0.03 -0.34 0.02 0.00 3.14 0.00 0.00 58.73 61.52 1a23 h TYR 184 Cb 0.26 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1a23 h TYR 184 CO -0.05 1.14 0.16 -0.07 -1.64 0.00 0.00 178.16 177.69 1a23 h LEU 185 N 0.35 0.00 -1.17 2.82 -0.00 -0.56 0.67 115.31 117.43 1a23 h LEU 185 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.75 1a23 h LEU 185 Cb 1.40 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.05 1a23 h LEU 185 CO 0.15 0.00 -0.40 0.77 -0.00 0.00 0.00 178.44 178.96 1a23 h SER 186 N 0.00 0.00 -0.49 -0.43 4.64 -1.10 -1.98 113.55 114.19 1a23 h SER 186 Ca 0.04 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.20 1a23 h SER 186 Cb 0.35 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.35 1a23 h SER 186 CO -0.00 0.40 0.20 -0.62 -0.87 0.00 0.00 176.83 175.94 1a23 n GLU 187 N -3.91 2.67 -0.22 4.77 1.02 0.23 -4.54 120.64 120.67 1a23 n GLU 187 Ca -0.01 -1.94 -0.05 0.00 -0.02 0.00 0.00 57.16 55.13 1a23 n GLU 187 Cb 0.45 -1.87 0.05 0.00 -0.02 0.00 0.00 31.44 30.05 1a23 n GLU 187 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1a23 h LYS 188 N 1.62 0.78 0.00 3.49 1.79 -1.26 -3.51 116.57 119.48 1a23 h LYS 188 Ca 0.19 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1a23 h LYS 188 Cb 1.79 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.27 1a23 h LYS 188 CO 0.50 0.52 0.00 0.36 -1.08 0.00 0.00 179.45 179.74