#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy s SER 2 N 0.00 0.59 -0.29 1.61 0.01 -1.26 -5.17 113.70 109.18 1vdy s SER 2 Ca 0.00 -1.02 -0.15 0.00 1.31 0.00 0.00 55.95 56.09 1vdy s SER 2 Cb 0.00 0.19 0.15 0.00 0.21 0.00 0.00 66.02 66.57 1vdy s SER 2 CO 0.00 -0.59 0.95 -0.94 0.41 0.00 0.00 173.24 173.08 1vdy s SER 3 N -2.95 -0.58 -0.35 2.44 1.04 -1.26 -5.13 113.70 106.91 1vdy s SER 3 Ca 0.09 0.87 -0.01 0.00 0.48 0.00 0.00 55.95 57.38 1vdy s SER 3 Cb 0.08 1.46 0.27 0.00 0.10 0.00 0.00 66.02 67.92 1vdy s SER 3 CO -0.08 -0.13 1.20 0.61 0.98 0.00 0.00 173.24 175.81 1vdy n GLY 4 N 4.34 -1.52 0.22 7.32 0.00 -1.26 -5.02 105.19 109.27 1vdy n GLY 4 Ca -0.14 0.89 -0.08 0.00 0.00 0.00 0.00 46.02 46.69 1vdy n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1vdy h SER 5 N 3.24 -0.44 -5.03 1.61 0.87 -2.03 -3.48 113.55 108.29 1vdy h SER 5 Ca -0.23 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.23 1vdy h SER 5 Cb 1.18 0.11 -0.19 0.00 -0.44 0.00 0.00 62.40 63.07 1vdy h SER 5 CO -0.12 -0.19 -0.43 -0.44 -0.53 0.00 0.00 176.83 175.12 1vdy s SER 6 N -3.74 0.02 -0.68 6.23 0.01 -1.26 -4.97 113.70 109.32 1vdy s SER 6 Ca -0.08 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 56.88 1vdy s SER 6 Cb 0.01 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 1vdy s SER 6 CO 0.23 -0.48 0.61 0.61 0.41 0.00 0.00 173.24 174.62 1vdy n GLY 7 N 1.02 -0.83 1.01 3.44 0.00 -1.26 -4.89 105.19 103.68 1vdy n GLY 7 Ca -0.21 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1vdy n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vdy n GLU 8 N -2.20 0.86 -0.32 1.61 1.02 -1.26 -4.49 120.64 115.86 1vdy n GLU 8 Ca -0.03 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.23 1vdy n GLU 8 Cb 0.55 -1.07 0.30 0.00 -0.02 0.00 0.00 31.44 31.19 1vdy n GLU 8 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1vdy h SER 9 N 0.30 0.57 0.31 1.62 4.64 -2.00 -2.71 113.55 116.28 1vdy h SER 9 Ca 0.00 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1vdy h SER 9 Cb 0.86 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1vdy h SER 9 CO 0.00 0.16 -0.49 0.22 -0.87 0.00 0.00 176.83 175.85 1vdy h TYR 10 N 0.60 -1.40 -0.36 4.77 3.20 -1.99 0.18 116.97 121.97 1vdy h TYR 10 Ca 0.55 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.51 1vdy h TYR 10 Cb 0.91 0.57 -0.09 0.00 1.54 0.00 0.00 36.73 39.66 1vdy h TYR 10 CO -0.07 -0.61 -0.33 2.35 -1.64 0.00 0.00 178.16 177.86 1vdy h TRP 11 N -0.85 -0.91 0.38 -3.82 -0.00 -1.87 -0.24 115.95 108.64 1vdy h TRP 11 Ca -0.04 0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.89 1vdy h TRP 11 Cb 0.78 0.45 0.00 0.00 -0.00 0.00 0.00 29.16 30.40 1vdy h TRP 11 CO -0.34 -0.39 -0.18 0.00 -0.00 0.00 0.00 178.44 177.53 1vdy h ARG 12 N -0.27 -0.49 -0.52 2.65 3.08 -1.41 -3.20 114.38 114.21 1vdy h ARG 12 Ca 0.16 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.35 1vdy h ARG 12 Cb 0.54 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 30.59 1vdy h ARG 12 CO -0.51 -0.22 -0.25 0.66 -1.07 0.00 0.00 179.97 178.57 1vdy h SER 13 N -0.70 -0.88 -0.75 7.04 4.64 -0.24 -2.26 113.55 120.40 1vdy h SER 13 Ca -0.05 0.19 0.17 0.00 -0.47 0.00 0.00 61.79 61.63 1vdy h SER 13 Cb 0.49 0.47 -0.13 0.00 -0.31 0.00 0.00 62.40 62.92 1vdy h SER 13 CO 0.09 -0.27 0.02 0.03 -0.87 0.00 0.00 176.83 175.83 1vdy h ARG 14 N -0.13 0.11 0.45 4.77 2.47 -1.05 0.12 114.38 121.12 1vdy h ARG 14 Ca 0.23 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 1vdy h ARG 14 Cb 0.50 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 1vdy h ARG 14 CO -0.60 0.07 -0.31 0.52 0.56 0.00 0.00 179.97 180.21 1vdy h MET 15 N 0.11 -0.71 -0.28 0.04 2.86 -1.43 0.65 114.93 116.18 1vdy h MET 15 Ca 0.41 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 58.07 1vdy h MET 15 Cb 0.73 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1vdy h MET 15 CO -0.65 -0.47 0.06 0.82 1.06 0.00 0.00 176.91 177.73 1vdy h ILE 16 N -0.73 1.22 -0.74 -1.22 1.08 -1.47 -2.95 117.51 112.69 1vdy h ILE 16 Ca -0.05 -0.74 0.05 0.00 -0.39 0.00 0.00 64.86 63.74 1vdy h ILE 16 Cb 0.61 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 1vdy h ILE 16 CO 0.03 0.24 0.49 -0.78 -0.69 0.00 0.00 178.15 177.43 1vdy h ASP 17 N 0.29 0.72 -0.66 1.72 3.58 -0.67 -0.99 116.42 120.41 1vdy h ASP 17 Ca 0.09 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1vdy h ASP 17 Cb 0.30 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1vdy h ASP 17 CO 0.00 0.48 0.23 0.00 -2.88 0.00 0.00 179.24 177.07 1vdy h ALA 18 N 1.59 1.11 -0.00 -0.78 0.00 -0.69 0.55 119.26 121.04 1vdy h ALA 18 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vdy h ALA 18 Cb 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1vdy h ALA 18 CO -0.10 0.62 -0.29 1.33 0.00 0.00 0.00 179.25 180.81 1vdy n VAL 19 N -4.27 0.00 -1.67 0.00 0.24 -0.88 -3.92 118.33 107.83 1vdy n VAL 19 Ca 0.06 -0.04 0.06 0.00 -2.04 0.00 0.00 64.34 62.37 1vdy n VAL 19 Cb 0.21 0.11 0.15 0.00 -1.47 0.00 0.00 33.84 32.84 1vdy n VAL 19 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1vdy n THR 20 N -1.17 1.65 -2.47 3.34 -2.24 -0.43 -4.74 114.28 108.22 1vdy n THR 20 Ca 0.09 -2.49 -0.38 0.00 -2.27 0.00 0.00 64.05 59.00 1vdy n THR 20 Cb 0.33 0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 1vdy n THR 20 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1vdy s SER 21 N -2.83 6.83 0.00 3.42 0.15 0.13 -4.69 113.70 116.70 1vdy s SER 21 Ca 0.34 2.16 0.11 0.00 0.70 0.00 0.00 55.95 59.26 1vdy s SER 21 Cb 0.33 -2.60 0.68 0.00 -1.71 0.00 0.00 66.02 62.72 1vdy s SER 21 CO -0.06 -0.45 1.10 -0.90 1.20 0.00 0.00 173.24 174.13 1vdy n ASP 22 N 0.26 0.00 0.00 5.45 5.75 -1.26 -4.19 116.55 122.56 1vdy n ASP 22 Ca 0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 1vdy n ASP 22 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1vdy n ASP 22 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1vdy n GLU 23 N -0.91 0.00 -0.28 0.11 0.28 -1.26 -4.83 120.64 113.74 1vdy n GLU 23 Ca 0.09 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1vdy n GLU 23 Cb 0.04 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.39 1vdy n GLU 23 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1vdy n ASP 24 N -1.00 0.00 -4.78 -1.84 5.68 -1.26 -4.95 116.55 108.40 1vdy n ASP 24 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.93 1vdy n ASP 24 Cb 0.01 -1.79 -0.04 0.00 -1.14 0.00 0.00 41.12 38.16 1vdy n ASP 24 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1vdy s LYS 25 N -0.56 4.21 0.72 0.11 2.36 -1.26 -5.02 119.74 120.30 1vdy s LYS 25 Ca 0.00 1.47 -0.14 0.00 -2.55 0.00 0.00 55.97 54.75 1vdy s LYS 25 Cb 0.00 -2.55 0.03 0.00 -1.05 0.00 0.00 37.83 34.26 1vdy s LYS 25 CO 0.00 -0.09 1.16 0.54 1.55 0.00 0.00 175.35 178.51 1vdy s VAL 26 N -1.68 2.72 -0.27 4.02 0.11 -1.26 -4.97 120.40 119.07 1vdy s VAL 26 Ca 0.57 0.33 -0.28 0.00 -2.93 0.00 0.00 61.98 59.67 1vdy s VAL 26 Cb -0.21 -2.83 0.01 0.00 -1.53 0.00 0.00 36.38 31.82 1vdy s VAL 26 CO 0.26 -0.21 1.00 0.00 -3.33 0.00 0.00 175.10 172.82 1vdy s ALA 27 N -2.23 3.61 0.40 1.54 0.00 -1.26 -5.02 121.76 118.79 1vdy s ALA 27 Ca 0.70 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 1vdy s ALA 27 Cb -0.24 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 1vdy s ALA 27 CO 0.45 -1.20 1.18 -1.25 0.00 0.00 0.00 175.76 174.94 1vdy s PRO 28 N 3.29 4.07 0.26 0.00 0.04 -1.26 -4.93 135.00 136.47 1vdy s PRO 28 Ca 0.42 1.86 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 1vdy s PRO 28 Cb -0.14 -2.70 0.55 0.00 0.04 0.00 0.00 34.50 32.25 1vdy s PRO 28 CO 0.10 -0.31 1.71 0.28 0.04 0.00 0.00 177.00 178.82 1vdy h VAL 29 N 2.36 0.57 -0.96 -0.36 2.07 -2.00 -1.78 116.25 116.15 1vdy h VAL 29 Ca -0.49 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1vdy h VAL 29 Cb 1.23 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1vdy h VAL 29 CO 0.63 0.07 0.60 0.10 0.02 0.00 0.00 177.57 178.99 1vdy h TYR 30 N 0.40 1.25 0.00 1.57 -0.00 -1.99 -1.57 116.97 116.63 1vdy h TYR 30 Ca 0.46 0.01 -0.03 0.00 0.00 0.00 0.00 58.73 59.17 1vdy h TYR 30 Cb 0.78 -0.41 -0.00 0.00 0.00 0.00 0.00 36.73 37.10 1vdy h TYR 30 CO -0.18 0.81 -0.14 0.87 -0.00 0.00 0.00 178.16 179.53 1vdy h LYS 31 N 1.32 0.00 0.09 0.10 1.57 -1.70 -1.69 116.57 116.25 1vdy h LYS 31 Ca 0.35 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.90 1vdy h LYS 31 Cb -0.09 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.25 1vdy h LYS 31 CO -0.07 0.14 -0.92 -0.07 -0.57 0.00 0.00 179.45 177.96 1vdy h LEU 32 N 0.00 0.65 -1.42 2.94 3.38 -1.31 -3.30 115.31 116.26 1vdy h LEU 32 Ca -0.00 -0.84 -0.06 0.00 0.09 0.00 0.00 57.88 57.07 1vdy h LEU 32 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1vdy h LEU 32 CO 0.02 1.43 -0.29 1.05 0.09 0.00 0.00 178.44 180.74 1vdy h GLU 33 N -0.03 0.01 -0.39 1.13 4.11 -0.82 -2.99 114.58 115.60 1vdy h GLU 33 Ca -0.14 -0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.35 1vdy h GLU 33 Cb 1.65 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.85 1vdy h GLU 33 CO 0.18 0.29 0.09 0.93 0.07 0.00 0.00 179.01 180.57 1vdy h GLU 34 N 0.01 0.22 -0.36 1.06 4.39 -1.40 0.78 114.58 119.27 1vdy h GLU 34 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1vdy h GLU 34 Cb 0.51 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1vdy h GLU 34 CO 0.04 0.14 0.23 0.82 -1.16 0.00 0.00 179.01 179.08 1vdy h ILE 35 N 0.22 1.10 -0.13 3.13 2.04 -1.64 -1.58 117.51 120.65 1vdy h ILE 35 Ca 0.19 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1vdy h ILE 35 Cb 0.22 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1vdy h ILE 35 CO -0.24 0.09 0.05 0.00 0.00 0.00 0.00 178.15 178.06 1vdy h ASP 37 N 0.12 0.99 -0.15 0.00 5.19 -0.71 -2.51 116.42 119.36 1vdy h ASP 37 Ca 0.05 -0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.25 1vdy h ASP 37 Cb 0.02 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 39.32 1vdy h ASP 37 CO -0.04 0.66 -0.72 -0.07 -3.12 0.00 0.00 179.24 175.94 1vdy h LEU 38 N 1.14 0.90 -0.22 1.55 -0.00 -0.85 -3.20 115.31 114.62 1vdy h LEU 38 Ca 0.39 -0.63 0.06 0.00 -0.00 0.00 0.00 57.88 57.70 1vdy h LEU 38 Cb 0.10 -0.27 -0.07 0.00 -0.00 0.00 0.00 40.66 40.43 1vdy h LEU 38 CO -0.14 1.38 -0.23 -0.07 -0.00 0.00 0.00 178.44 179.38 1vdy h LEU 39 N 0.48 -0.73 -1.55 1.67 3.38 -0.36 -1.32 115.31 116.87 1vdy h LEU 39 Ca -0.05 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1vdy h LEU 39 Cb 1.36 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 1vdy h LEU 39 CO 0.15 -0.27 -0.03 0.08 0.09 0.00 0.00 178.44 178.46 1vdy h ARG 40 N -0.24 0.00 -0.63 1.13 -0.00 -1.63 -2.74 114.38 110.27 1vdy h ARG 40 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.11 1vdy h ARG 40 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 1vdy h ARG 40 CO -0.36 0.03 0.00 0.43 -0.00 0.00 0.00 179.97 180.07 1vdy n SER 41 N -3.15 5.25 -4.20 0.08 7.64 -0.58 -4.93 113.62 113.73 1vdy n SER 41 Ca 0.00 -2.66 -0.14 0.00 1.01 0.00 0.00 58.87 57.09 1vdy n SER 41 Cb 0.30 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.76 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vdy s SER 42 N -0.84 1.51 0.78 6.43 0.01 -0.72 -5.02 113.70 115.85 1vdy s SER 42 Ca 0.53 -0.91 -0.11 0.00 1.31 0.00 0.00 55.95 56.77 1vdy s SER 42 Cb 0.37 0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.68 1vdy s SER 42 CO 0.21 -0.32 1.09 -2.28 0.41 0.00 0.00 173.24 172.35 1vdy s HIS 43 N -2.95 2.58 0.55 2.43 2.46 -1.26 -4.84 115.29 114.26 1vdy s HIS 43 Ca 0.10 1.52 0.23 0.00 0.47 0.00 0.00 55.06 57.38 1vdy s HIS 43 Cb 0.00 -3.05 1.46 0.00 -0.13 0.00 0.00 32.58 30.87 1vdy s HIS 43 CO -0.01 -1.82 2.12 -0.24 -2.47 0.00 0.00 174.74 172.32 1vdy h VAL 44 N -1.14 0.76 -0.96 0.89 3.04 -1.99 -0.06 116.25 116.78 1vdy h VAL 44 Ca -0.44 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.27 1vdy h VAL 44 Cb 1.23 0.90 -0.05 0.00 -2.01 0.00 0.00 31.29 31.36 1vdy h VAL 44 CO 0.52 0.00 0.64 0.28 -1.01 0.00 0.00 177.57 177.99 1vdy h SER 45 N 0.00 1.08 -0.22 3.17 0.02 -1.99 0.05 113.55 115.66 1vdy h SER 45 Ca 0.08 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.85 1vdy h SER 45 Cb 0.35 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1vdy h SER 45 CO -0.00 0.77 -0.50 0.40 -1.14 0.00 0.00 176.83 176.36 1vdy h ILE 46 N 1.27 1.30 -0.37 3.27 1.08 -1.37 -1.02 117.51 121.68 1vdy h ILE 46 Ca 0.37 -1.71 0.06 0.00 -0.39 0.00 0.00 64.86 63.19 1vdy h ILE 46 Cb -0.09 1.81 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 1vdy h ILE 46 CO -0.09 0.54 0.01 0.58 -0.69 0.00 0.00 178.15 178.50 1vdy h VAL 47 N 0.45 0.74 0.49 1.67 2.07 -0.82 0.80 116.25 121.65 1vdy h VAL 47 Ca -0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1vdy h VAL 47 Cb 1.11 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1vdy h VAL 47 CO 0.11 0.02 -0.24 0.11 0.02 0.00 0.00 177.57 177.60 1vdy h LYS 48 N 0.12 -0.63 -0.80 1.57 1.57 -0.97 -2.64 116.57 114.79 1vdy h LYS 48 Ca 0.18 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.08 1vdy h LYS 48 Cb 0.24 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1vdy h LYS 48 CO -0.29 -0.40 0.52 0.93 -0.57 0.00 0.00 179.45 179.64 1vdy h GLU 49 N -0.70 0.79 -0.40 3.15 5.08 -0.69 -1.73 114.58 120.08 1vdy h GLU 49 Ca -0.07 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1vdy h GLU 49 Cb 0.52 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1vdy h GLU 49 CO 0.11 0.52 0.06 0.74 -1.00 0.00 0.00 179.01 179.44 1vdy h PHE 50 N 0.82 0.72 -0.75 4.33 0.04 -0.78 -3.07 116.94 118.25 1vdy h PHE 50 Ca 0.35 -0.10 0.07 0.00 2.80 0.00 0.00 57.97 61.09 1vdy h PHE 50 Cb 0.31 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 1vdy h PHE 50 CO -0.00 0.71 0.42 0.77 -0.60 0.00 0.00 178.31 179.61 1vdy h SER 51 N 0.52 0.62 -0.63 2.17 0.02 -0.95 -1.55 113.55 113.75 1vdy h SER 51 Ca 0.12 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1vdy h SER 51 Cb 0.38 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1vdy h SER 51 CO 0.01 0.38 0.33 -0.33 -1.14 0.00 0.00 176.83 176.08 1vdy h GLU 52 N 0.75 0.60 0.00 3.45 4.39 -1.37 -0.72 114.58 121.68 1vdy h GLU 52 Ca 0.35 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.90 1vdy h GLU 52 Cb 0.26 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1vdy h GLU 52 CO -0.21 0.39 -0.51 0.74 -1.16 0.00 0.00 179.01 178.26 1vdy h PHE 53 N 0.61 0.00 -0.21 4.33 0.04 -1.31 -2.79 116.94 117.62 1vdy h PHE 53 Ca 0.28 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.00 1vdy h PHE 53 Cb 0.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1vdy h PHE 53 CO -0.09 0.51 -0.06 0.82 -0.60 0.00 0.00 178.31 178.89 1vdy h ILE 54 N 0.00 1.29 -0.87 -0.55 2.04 -0.34 -3.16 117.51 115.92 1vdy h ILE 54 Ca -0.01 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 64.86 1vdy h ILE 54 Cb 0.92 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 1vdy h ILE 54 CO 0.07 0.32 0.53 -0.07 0.00 0.00 0.00 178.15 179.00 1vdy h LEU 55 N 0.12 0.82 -1.68 1.44 3.38 -1.03 -0.86 115.31 117.50 1vdy h LEU 55 Ca 0.05 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.20 1vdy h LEU 55 Cb 0.52 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1vdy h LEU 55 CO 0.02 0.51 0.49 0.11 0.09 0.00 0.00 178.44 179.66 1vdy h LYS 56 N 0.95 0.30 0.00 1.13 1.79 -1.46 -0.85 116.57 118.43 1vdy h LYS 56 Ca 0.39 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.81 1vdy h LYS 56 Cb 0.23 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1vdy h LYS 56 CO -0.19 0.20 -0.17 0.00 -1.08 0.00 0.00 179.45 178.21 1vdy h ARG 57 N 0.31 0.00 0.00 3.15 2.47 -1.20 -2.18 114.38 116.93 1vdy h ARG 57 Ca 0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 1vdy h ARG 57 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1vdy h ARG 57 CO -0.09 0.17 0.00 -0.07 0.56 0.00 0.00 179.97 180.54 1vdy h LEU 58 N 0.00 0.00 0.00 3.04 -0.00 -1.24 -3.05 115.31 114.06 1vdy h LEU 58 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 1vdy h LEU 58 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 1vdy h LEU 58 CO 0.02 0.00 -2.02 -0.67 -0.00 0.00 0.00 178.44 175.77 1vdy n ASP 59 N -2.75 0.35 -4.65 -0.43 2.03 -0.86 -4.95 116.55 105.29 1vdy n ASP 59 Ca 0.02 0.00 -0.56 0.00 0.52 0.00 0.00 54.79 54.76 1vdy n ASP 59 Cb 0.30 1.69 -0.07 0.00 -0.72 0.00 0.00 41.12 42.32 1vdy n ASP 59 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1vdy n ASN 60 N -2.33 1.80 -0.19 1.67 5.15 -0.97 -4.83 115.26 115.56 1vdy n ASN 60 Ca -0.10 1.11 0.27 0.00 -0.60 0.00 0.00 54.58 55.26 1vdy n ASN 60 Cb 0.68 -1.12 0.69 0.00 -0.53 0.00 0.00 39.78 39.50 1vdy n ASN 60 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1vdy h LYS 61 N 5.62 0.06 -6.44 1.20 1.79 -1.93 -3.40 116.57 113.48 1vdy h LYS 61 Ca -0.47 -0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.42 1vdy h LYS 61 Cb 1.34 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.93 1vdy h LYS 61 CO 0.86 0.04 1.13 -1.54 -1.08 0.00 0.00 179.45 178.86 1vdy s SER 62 N -5.62 6.23 0.33 0.86 1.04 -1.26 -4.93 113.70 110.34 1vdy s SER 62 Ca -0.06 1.02 0.07 0.00 0.48 0.00 0.00 55.95 57.46 1vdy s SER 62 Cb 0.22 -2.54 0.74 0.00 0.10 0.00 0.00 66.02 64.55 1vdy s SER 62 CO 0.77 -1.49 1.86 1.55 0.98 0.00 0.00 173.24 176.92 1vdy h PRO 63 N 11.26 0.75 0.34 4.02 0.13 -1.93 -2.45 132.00 144.12 1vdy h PRO 63 Ca -0.30 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1vdy h PRO 63 Cb 1.13 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.05 1vdy h PRO 63 CO 1.06 0.50 -0.52 0.82 -0.23 0.00 0.00 178.00 179.63 1vdy h ILE 64 N 0.78 0.01 -0.99 -3.56 2.04 -1.92 -2.08 117.51 111.79 1vdy h ILE 64 Ca 0.46 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.56 1vdy h ILE 64 Cb 0.65 0.01 -0.12 0.00 -0.74 0.00 0.00 36.82 36.62 1vdy h ILE 64 CO -0.22 0.00 0.57 0.58 0.00 0.00 0.00 178.15 179.07 1vdy h VAL 65 N -0.90 0.56 0.53 1.67 2.07 -1.72 -0.40 116.25 118.06 1vdy h VAL 65 Ca -0.04 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1vdy h VAL 65 Cb 0.83 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1vdy h VAL 65 CO -0.16 0.11 -0.25 0.11 0.02 0.00 0.00 177.57 177.39 1vdy h LYS 66 N 0.59 -0.69 -0.97 1.57 1.57 -1.22 -2.75 116.57 114.67 1vdy h LYS 66 Ca 0.62 0.05 0.22 0.00 -1.87 0.00 0.00 60.65 59.67 1vdy h LYS 66 Cb 1.15 0.16 -0.12 0.00 0.08 0.00 0.00 32.23 33.49 1vdy h LYS 66 CO -0.47 -0.46 0.55 0.37 -0.57 0.00 0.00 179.45 178.87 1vdy h GLN 67 N -0.72 0.57 -0.04 3.15 -0.00 -0.73 -1.07 115.11 116.28 1vdy h GLN 67 Ca -0.07 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.58 1vdy h GLN 67 Cb 0.54 -0.13 -0.05 0.00 0.00 0.00 0.00 27.48 27.85 1vdy h GLN 67 CO 0.12 0.38 -0.23 0.87 0.00 0.00 0.00 178.83 179.97 1vdy h LYS 68 N 0.59 -0.33 -0.84 1.69 1.57 -1.01 -2.07 116.57 116.17 1vdy h LYS 68 Ca 0.60 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.38 1vdy h LYS 68 Cb 1.08 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 1vdy h LYS 68 CO -0.46 -0.22 0.42 0.00 -0.57 0.00 0.00 179.45 178.62 1vdy h ALA 69 N 0.55 1.15 -0.45 3.86 0.00 -0.91 -2.78 119.26 120.68 1vdy h ALA 69 Ca 0.07 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1vdy h ALA 69 Cb 0.44 -0.33 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1vdy h ALA 69 CO -0.23 0.65 -0.13 -0.07 0.00 0.00 0.00 179.25 179.47 1vdy h LEU 70 N 1.19 -0.47 -0.52 0.00 -0.00 -0.75 0.20 115.31 114.97 1vdy h LEU 70 Ca 0.29 0.14 -0.13 0.00 -0.00 0.00 0.00 57.88 58.19 1vdy h LEU 70 Cb 0.10 0.30 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1vdy h LEU 70 CO -0.04 -0.16 -0.16 -0.09 -0.00 0.00 0.00 178.44 177.98 1vdy h ARG 71 N -0.02 1.03 -0.40 1.13 1.12 -1.38 -3.04 114.38 112.82 1vdy h ARG 71 Ca 0.22 -0.41 0.02 0.00 -1.11 0.00 0.00 59.98 58.70 1vdy h ARG 71 Cb 0.35 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.23 1vdy h ARG 71 CO -0.47 1.10 0.23 1.25 -3.11 0.00 0.00 179.97 178.96 1vdy h LEU 72 N 0.90 0.36 -0.24 3.80 5.85 -0.98 -0.70 115.31 124.30 1vdy h LEU 72 Ca 0.13 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1vdy h LEU 72 Cb 0.74 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1vdy h LEU 72 CO 0.06 0.26 -0.15 0.40 -0.34 0.00 0.00 178.44 178.67 1vdy h ILE 73 N 0.46 0.56 -0.48 4.05 2.04 -0.92 0.31 117.51 123.53 1vdy h ILE 73 Ca 0.16 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 1vdy h ILE 73 Cb 0.03 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1vdy h ILE 73 CO -0.09 0.00 0.00 0.07 0.00 0.00 0.00 178.15 178.13 1vdy h LYS 74 N -0.13 0.84 -0.59 2.37 2.10 -1.39 0.57 116.57 120.34 1vdy h LYS 74 Ca 0.13 -0.27 -0.02 0.00 -2.00 0.00 0.00 60.65 58.50 1vdy h LYS 74 Cb 0.34 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.56 1vdy h LYS 74 CO -0.32 0.89 0.31 -0.92 -2.00 0.00 0.00 179.45 177.40 1vdy h TYR 75 N 0.70 0.84 0.28 0.07 3.20 -0.55 -3.22 116.97 118.29 1vdy h TYR 75 Ca 0.14 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1vdy h TYR 75 Cb 0.51 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1vdy h TYR 75 CO 0.04 0.62 -0.13 0.00 -1.64 0.00 0.00 178.16 177.05 1vdy h ALA 76 N 1.13 -0.38 -2.65 1.82 0.00 -0.26 -3.42 119.26 115.50 1vdy h ALA 76 Ca 0.21 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 1vdy h ALA 76 Cb 0.08 0.15 0.16 0.00 0.00 0.00 0.00 17.79 18.18 1vdy h ALA 76 CO -0.03 -0.57 0.37 0.54 0.00 0.00 0.00 179.25 179.56 1vdy s VAL 77 N -4.97 2.27 0.00 0.00 0.11 0.18 -1.34 120.40 116.64 1vdy s VAL 77 Ca -0.15 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1vdy s VAL 77 Cb 0.03 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 1vdy s VAL 77 CO 0.58 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1vdy n GLY 78 N 0.37 2.26 1.89 6.54 0.00 -1.26 -4.70 105.19 110.29 1vdy n GLY 78 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1vdy n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vdy n LYS 79 N -2.00 0.00 -0.31 1.61 2.85 -1.11 -4.95 118.16 114.26 1vdy n LYS 79 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1vdy n LYS 79 Cb 0.00 -0.05 -0.07 0.00 -0.65 0.00 0.00 35.03 34.26 1vdy n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1vdy n SER 80 N -2.96 -0.76 0.00 -5.58 3.41 -0.45 -4.86 113.62 102.42 1vdy n SER 80 Ca 0.00 1.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.91 1vdy n SER 80 Cb 0.03 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1vdy n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vdy n GLY 81 N -1.19 2.61 0.25 5.00 0.00 -1.26 -4.38 105.19 106.23 1vdy n GLY 81 Ca 0.02 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.26 1vdy n GLY 81 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vdy h SER 82 N 0.00 0.00 -0.06 1.61 4.64 -1.99 -2.90 113.55 114.85 1vdy h SER 82 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1vdy h SER 82 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1vdy h SER 82 CO 0.00 0.13 -0.17 -0.33 -0.87 0.00 0.00 176.83 175.59 1vdy h GLU 83 N 0.00 -0.24 -0.64 4.77 3.07 -2.00 -0.28 114.58 119.27 1vdy h GLU 83 Ca -0.00 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 1vdy h GLU 83 Cb 0.32 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 1vdy h GLU 83 CO 0.02 -0.16 0.23 0.35 -1.40 0.00 0.00 179.01 178.05 1vdy h PHE 84 N -0.25 0.99 0.08 4.33 3.57 -1.88 -2.59 116.94 121.19 1vdy h PHE 84 Ca 0.07 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1vdy h PHE 84 Cb 0.35 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1vdy h PHE 84 CO -0.25 0.80 -0.27 -0.09 -2.23 0.00 0.00 178.31 176.27 1vdy h ARG 85 N 0.90 -0.43 -0.13 1.11 2.43 -1.11 0.29 114.38 117.43 1vdy h ARG 85 Ca 0.21 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1vdy h ARG 85 Cb 0.24 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 1vdy h ARG 85 CO -0.01 -0.29 -0.31 0.00 -1.51 0.00 0.00 179.97 177.84 1vdy h ARG 86 N -0.45 -0.37 -0.75 0.20 2.47 -0.89 0.36 114.38 114.95 1vdy h ARG 86 Ca 0.04 0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.88 1vdy h ARG 86 Cb 0.50 0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.83 1vdy h ARG 86 CO -0.18 -0.25 0.39 0.93 0.56 0.00 0.00 179.97 181.42 1vdy h GLU 87 N -0.39 0.63 -0.17 0.04 4.39 -1.29 -2.11 114.58 115.68 1vdy h GLU 87 Ca 0.10 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1vdy h GLU 87 Cb 0.54 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1vdy h GLU 87 CO -0.35 0.42 0.02 1.98 -1.16 0.00 0.00 179.01 179.92 1vdy h MET 88 N 0.65 0.29 -0.65 2.33 4.05 0.34 -3.04 114.93 118.91 1vdy h MET 88 Ca 0.37 -0.08 0.10 0.00 -0.28 0.00 0.00 59.70 59.81 1vdy h MET 88 Cb 0.38 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.07 1vdy h MET 88 CO -0.27 0.47 0.25 1.96 0.23 0.00 0.00 176.91 179.55 1vdy h GLN 89 N 0.08 0.42 0.00 0.39 4.20 -0.35 0.17 115.11 120.01 1vdy h GLN 89 Ca 0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1vdy h GLN 89 Cb 0.32 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1vdy h GLN 89 CO 0.00 0.27 -0.06 0.00 -0.67 0.00 0.00 178.83 178.37 1vdy h ARG 90 N 0.43 0.00 -0.01 1.46 3.08 -1.31 -2.82 114.38 115.21 1vdy h ARG 90 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1vdy h ARG 90 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1vdy h ARG 90 CO -0.33 0.06 0.00 0.09 -1.07 0.00 0.00 179.97 178.73 1vdy n ASN 91 N -3.68 2.04 0.29 7.04 3.02 -0.67 -4.76 115.26 118.54 1vdy n ASN 91 Ca -0.02 -2.02 0.16 0.00 -0.03 0.00 0.00 54.58 52.67 1vdy n ASN 91 Cb 0.17 -0.02 0.87 0.00 -0.61 0.00 0.00 39.78 40.20 1vdy n ASN 91 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1vdy h SER 92 N 0.08 0.00 -0.78 6.41 4.64 -0.42 -2.37 113.55 121.11 1vdy h SER 92 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1vdy h SER 92 Cb 0.52 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.55 1vdy h SER 92 CO 0.00 0.00 0.51 1.62 -0.87 0.00 0.00 176.83 178.09 1vdy h VAL 93 N 0.00 0.83 -0.71 0.95 3.04 -1.86 -1.14 116.25 117.37 1vdy h VAL 93 Ca 0.00 -0.18 0.12 0.00 -1.01 0.00 0.00 66.70 65.64 1vdy h VAL 93 Cb 0.32 0.27 -0.05 0.00 -2.01 0.00 0.00 31.29 29.83 1vdy h VAL 93 CO 0.00 0.09 0.47 0.00 -1.01 0.00 0.00 177.57 177.13 1vdy h ALA 94 N 1.63 2.03 0.04 3.17 0.00 -1.83 0.23 119.26 124.54 1vdy h ALA 94 Ca 0.38 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 1vdy h ALA 94 Cb 0.74 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1vdy h ALA 94 CO -0.14 -0.21 -0.44 0.28 0.00 0.00 0.00 179.25 178.75 1vdy h VAL 95 N 0.45 1.58 -0.24 0.00 2.07 -1.46 -3.36 116.25 115.30 1vdy h VAL 95 Ca 0.34 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1vdy h VAL 95 Cb 0.69 3.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 1vdy h VAL 95 CO -0.11 0.61 0.16 0.03 0.02 0.00 0.00 177.57 178.28 1vdy h ARG 96 N -0.80 0.31 0.00 1.57 3.08 -1.00 -0.84 114.38 116.70 1vdy h ARG 96 Ca -0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1vdy h ARG 96 Cb 1.24 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1vdy h ARG 96 CO 0.02 0.21 0.00 -0.91 -1.07 0.00 0.00 179.97 178.21 1vdy h ASN 97 N 0.32 0.00 0.21 7.04 2.35 -1.12 -1.94 115.58 122.44 1vdy h ASN 97 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1vdy h ASN 97 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1vdy h ASN 97 CO -0.02 0.00 -0.26 0.18 -1.65 0.00 0.00 177.43 175.68 1vdy n LEU 98 N -3.02 1.10 0.33 1.61 4.77 -0.32 -4.08 117.00 117.39 1vdy n LEU 98 Ca -0.02 -0.30 0.20 0.00 -0.03 0.00 0.00 56.01 55.86 1vdy n LEU 98 Cb 0.15 -0.11 1.06 0.00 -2.33 0.00 0.00 43.42 42.19 1vdy n LEU 98 CO 0.22 0.20 1.16 -0.26 -1.33 0.00 0.00 177.39 177.39 1vdy h PHE 99 N 1.31 0.00 0.00 -1.77 0.04 -1.44 -0.89 116.94 114.19 1vdy h PHE 99 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1vdy h PHE 99 Cb 0.52 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 38.45 1vdy h PHE 99 CO 0.00 0.00 -0.81 -2.39 -0.60 0.00 0.00 178.31 174.51 1vdy n HIS 100 N -3.03 0.00 -2.38 -0.55 1.44 -1.26 -4.99 115.22 104.45 1vdy n HIS 100 Ca -0.02 -0.92 -0.37 0.00 -2.01 0.00 0.00 57.72 54.40 1vdy n HIS 100 Cb 0.19 -0.19 -0.04 0.00 0.12 0.00 0.00 29.99 30.08 1vdy n HIS 100 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1vdy s TYR 101 N -1.36 2.25 0.22 -1.40 5.04 -0.34 -4.77 117.35 116.99 1vdy s TYR 101 Ca 0.36 -0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 54.70 1vdy s TYR 101 Cb 0.38 -4.47 0.21 0.00 0.35 0.00 0.00 41.96 38.43 1vdy s TYR 101 CO -0.13 -1.91 1.62 -0.22 -1.34 0.00 0.00 175.55 173.57 1vdy h LYS 102 N 10.50 0.68 0.00 4.97 1.63 -1.93 -3.44 116.57 128.98 1vdy h LYS 102 Ca 0.11 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1vdy h LYS 102 Cb 1.02 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1vdy h LYS 102 CO 1.34 0.90 0.00 0.41 -3.45 0.00 0.00 179.45 178.65 1vdy n GLY 103 N -0.15 -0.84 3.43 5.01 0.00 -1.26 -4.82 105.19 106.56 1vdy n GLY 103 Ca -0.01 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1vdy n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vdy s HIS 104 N 0.00 2.39 0.37 1.61 0.09 -1.26 -5.11 115.29 113.38 1vdy s HIS 104 Ca 0.00 -0.34 -0.28 0.00 -0.00 0.00 0.00 55.06 54.45 1vdy s HIS 104 Cb 0.00 -1.27 -0.10 0.00 -0.00 0.00 0.00 32.58 31.21 1vdy s HIS 104 CO 0.00 0.38 1.35 -1.25 -0.00 0.00 0.00 174.74 175.21 1vdy s PRO 105 N -2.17 4.15 0.36 8.40 0.04 -1.26 -4.61 135.00 139.92 1vdy s PRO 105 Ca 0.16 2.28 -0.14 0.00 0.04 0.00 0.00 61.00 63.34 1vdy s PRO 105 Cb -0.10 -2.93 -0.08 0.00 0.04 0.00 0.00 34.50 31.43 1vdy s PRO 105 CO 0.08 -0.39 0.78 -0.51 0.04 0.00 0.00 177.00 177.00 1vdy s ASP 106 N -0.50 6.70 0.00 6.66 1.01 -1.26 -4.81 116.67 124.48 1vdy s ASP 106 Ca 0.53 1.28 0.09 0.00 0.71 0.00 0.00 52.55 55.16 1vdy s ASP 106 Cb -0.41 -2.38 0.51 0.00 1.01 0.00 0.00 42.92 41.66 1vdy s ASP 106 CO 0.54 -0.29 1.23 -0.81 0.21 0.00 0.00 175.17 176.04 1vdy n PRO 107 N -0.72 0.88 0.11 8.23 -0.04 -1.26 -2.72 135.00 139.48 1vdy n PRO 107 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1vdy n PRO 107 Cb 0.53 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1vdy n PRO 107 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1vdy n LEU 108 N -0.65 0.06 0.10 1.53 4.32 -1.26 -4.96 117.00 116.14 1vdy n LEU 108 Ca 0.06 0.38 0.12 0.00 -0.02 0.00 0.00 56.01 56.55 1vdy n LEU 108 Cb 0.03 0.24 0.07 0.00 -1.62 0.00 0.00 43.42 42.14 1vdy n LEU 108 CO 0.05 -0.74 0.20 0.11 -1.22 0.00 0.00 177.39 175.79 1vdy h LYS 109 N 0.00 0.00 -5.58 3.23 1.79 -1.99 -3.50 116.57 110.52 1vdy h LYS 109 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1vdy h LYS 109 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1vdy h LYS 109 CO 0.00 0.00 -0.98 0.41 -1.08 0.00 0.00 179.45 177.80 1vdy n GLY 110 N 1.22 -2.69 4.53 3.86 0.00 -1.10 -3.83 105.19 107.18 1vdy n GLY 110 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1vdy n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vdy n ASP 111 N 0.83 0.00 -0.13 1.61 2.03 -1.26 -4.81 116.55 114.82 1vdy n ASP 111 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1vdy n ASP 111 Cb 0.20 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vdy h ALA 112 N 0.00 0.52 -0.91 -1.67 0.00 -1.94 -2.51 119.26 112.75 1vdy h ALA 112 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1vdy h ALA 112 Cb 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1vdy h ALA 112 CO 0.00 -0.01 0.58 -0.07 0.00 0.00 0.00 179.25 179.75 1vdy h LEU 113 N 0.56 0.93 -0.42 0.00 3.38 -1.87 -2.66 115.31 115.22 1vdy h LEU 113 Ca 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1vdy h LEU 113 Cb -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1vdy h LEU 113 CO -0.03 0.60 -0.03 0.78 0.09 0.00 0.00 178.44 179.84 1vdy h ASN 114 N 1.07 0.76 -0.62 -0.43 2.35 -1.82 -3.23 115.58 113.66 1vdy h ASN 114 Ca 0.39 -0.33 0.13 0.00 -0.55 0.00 0.00 56.30 55.94 1vdy h ASN 114 Cb 0.14 -0.21 -0.11 0.00 0.05 0.00 0.00 38.32 38.20 1vdy h ASN 114 CO -0.16 0.91 -0.03 0.50 -1.65 0.00 0.00 177.43 176.99 1vdy h LYS 115 N 0.60 0.09 0.00 0.81 3.11 -1.09 -0.95 116.57 119.14 1vdy h LYS 115 Ca 0.12 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.93 1vdy h LYS 115 Cb 0.54 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1vdy h LYS 115 CO 0.03 0.06 -0.09 0.00 -2.81 0.00 0.00 179.45 176.63 1vdy h ALA 116 N 1.58 1.74 0.84 5.00 0.00 -1.56 -1.31 119.26 125.55 1vdy h ALA 116 Ca 0.32 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1vdy h ALA 116 Cb 0.52 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1vdy h ALA 116 CO -0.56 0.12 -0.41 0.28 0.00 0.00 0.00 179.25 178.68 1vdy h VAL 117 N 0.00 0.00 -0.69 0.00 2.07 -1.27 -2.26 116.25 114.10 1vdy h VAL 117 Ca -0.00 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1vdy h VAL 117 Cb 0.17 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 1vdy h VAL 117 CO 0.01 0.00 0.45 0.08 0.02 0.00 0.00 177.57 178.14 1vdy h ARG 118 N -1.24 0.80 0.54 1.57 -0.00 -1.41 -1.82 114.38 112.82 1vdy h ARG 118 Ca -0.12 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.98 59.79 1vdy h ARG 118 Cb 0.87 -0.18 0.01 0.00 -0.00 0.00 0.00 29.97 30.66 1vdy h ARG 118 CO 0.19 0.53 -0.26 0.93 -0.00 0.00 0.00 179.97 181.36 1vdy h GLU 119 N 0.83 -0.70 -0.28 0.08 5.08 -1.18 -2.69 114.58 115.72 1vdy h GLU 119 Ca 0.27 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1vdy h GLU 119 Cb 0.06 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1vdy h GLU 119 CO -0.08 -0.43 0.19 1.15 -1.00 0.00 0.00 179.01 178.84 1vdy h THR 120 N -0.83 1.07 -0.37 1.13 2.02 -1.22 -2.64 112.91 112.07 1vdy h THR 120 Ca -0.07 -0.13 0.09 0.00 0.77 0.00 0.00 66.41 67.07 1vdy h THR 120 Cb 0.60 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1vdy h THR 120 CO 0.12 0.07 0.26 0.00 0.37 0.00 0.00 175.52 176.34 1vdy h ALA 121 N 1.83 2.24 -0.31 6.16 0.00 -0.98 -0.87 119.26 127.33 1vdy h ALA 121 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1vdy h ALA 121 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1vdy h ALA 121 CO -0.02 -0.33 -0.25 0.45 0.00 0.00 0.00 179.25 179.10 1vdy h HIS 122 N 0.09 0.84 0.00 0.00 3.86 -1.49 -2.25 115.15 116.19 1vdy h HIS 122 Ca 0.17 -0.24 -0.11 0.00 -1.16 0.00 0.00 60.37 59.03 1vdy h HIS 122 Cb 0.58 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1vdy h HIS 122 CO -0.00 0.98 -0.54 0.93 0.86 0.00 0.00 177.93 180.16 1vdy h GLU 123 N 0.46 0.00 0.02 2.45 4.39 -1.48 -2.12 114.58 118.30 1vdy h GLU 123 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1vdy h GLU 123 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1vdy h GLU 123 CO 0.06 0.54 -0.01 1.15 -1.16 0.00 0.00 179.01 179.59 1vdy h THR 124 N 0.00 1.15 -0.76 1.13 2.02 -0.98 -1.63 112.91 113.84 1vdy h THR 124 Ca -0.01 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1vdy h THR 124 Cb 1.06 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 1vdy h THR 124 CO 0.07 0.13 0.35 0.40 0.37 0.00 0.00 175.52 176.83 1vdy h ILE 125 N -0.23 1.25 -0.95 3.11 1.08 -1.36 -0.77 117.51 119.63 1vdy h ILE 125 Ca -0.00 -0.72 0.17 0.00 -0.39 0.00 0.00 64.86 63.92 1vdy h ILE 125 Cb 0.22 0.32 -0.08 0.00 -3.07 0.00 0.00 36.82 34.20 1vdy h ILE 125 CO 0.00 0.30 0.60 -1.28 -0.69 0.00 0.00 178.15 177.09 1vdy h SER 126 N 1.07 0.70 0.52 1.72 0.87 -1.17 -0.93 113.55 116.33 1vdy h SER 126 Ca 0.26 0.06 -0.29 0.00 -1.23 0.00 0.00 61.79 60.59 1vdy h SER 126 Cb 0.15 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1vdy h SER 126 CO -0.03 0.31 -1.48 0.00 -0.53 0.00 0.00 176.83 175.10 1vdy h ALA 127 N 1.60 0.33 0.02 6.23 0.00 -0.69 -3.00 119.26 123.76 1vdy h ALA 127 Ca 0.50 -1.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1vdy h ALA 127 Cb 0.83 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1vdy h ALA 127 CO -0.27 1.20 -0.01 0.82 0.00 0.00 0.00 179.25 180.99 1vdy h ILE 128 N 0.05 1.15 -1.52 0.00 2.04 -0.33 -3.26 117.51 115.64 1vdy h ILE 128 Ca -0.22 -0.52 -0.69 0.00 1.00 0.00 0.00 64.86 64.43 1vdy h ILE 128 Cb 1.98 1.50 -0.32 0.00 -0.74 0.00 0.00 36.82 39.24 1vdy h ILE 128 CO 0.15 0.13 0.47 0.49 0.00 0.00 0.00 178.15 179.40 1vdy n PHE 129 N -5.00 3.11 -0.78 1.37 3.72 -0.43 -4.83 117.46 114.62 1vdy n PHE 129 Ca -0.08 -2.64 -0.08 0.00 -0.05 0.00 0.00 57.45 54.60 1vdy n PHE 129 Cb 0.14 -0.95 -0.11 0.00 -0.94 0.00 0.00 39.48 37.62 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vdy n SER 130 N -0.64 4.82 0.12 4.37 2.88 -1.13 -4.31 113.62 119.72 1vdy n SER 130 Ca 0.52 -2.37 0.12 0.00 -1.33 0.00 0.00 58.87 55.82 1vdy n SER 130 Cb 0.50 -1.22 0.10 0.00 -0.75 0.00 0.00 64.21 62.84 1vdy n SER 130 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1vdy h GLU 131 N 2.68 0.00 0.14 -1.46 5.08 -1.88 -3.11 114.58 116.04 1vdy h GLU 131 Ca 0.12 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 1vdy h GLU 131 Cb 1.25 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.53 1vdy h GLU 131 CO 0.18 0.00 -0.88 1.49 -1.00 0.00 0.00 179.01 178.80 1vdy h GLU 132 N 0.00 0.34 0.01 2.33 4.57 -1.97 -3.36 114.58 116.50 1vdy h GLU 132 Ca 0.00 -0.56 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1vdy h GLU 132 Cb 0.92 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1vdy h GLU 132 CO 0.00 1.26 -0.01 -0.97 -1.18 0.00 0.00 179.01 178.11 1vdy h ASN 133 N -0.28 -0.02 -7.00 1.04 -1.24 -1.92 -3.47 115.58 102.69 1vdy h ASN 133 Ca -0.15 -0.69 -0.60 0.00 0.71 0.00 0.00 56.30 55.57 1vdy h ASN 133 Cb 1.68 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 40.52 1vdy h ASN 133 CO 0.17 0.69 -0.94 0.61 -1.29 0.00 0.00 177.43 176.67 1vdy n GLY 134 N 0.87 -0.19 3.39 1.57 0.00 -1.17 -4.89 105.19 104.77 1vdy n GLY 134 Ca -0.09 0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1vdy n GLY 134 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vdy s SER 135 N -4.16 7.05 0.00 1.61 1.04 -1.26 -4.88 113.70 113.10 1vdy s SER 135 Ca 0.17 -3.03 0.00 0.00 0.48 0.00 0.00 55.95 53.56 1vdy s SER 135 Cb -0.10 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1vdy s SER 135 CO 0.98 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1vdy n GLY 136 N 3.76 -1.23 3.77 7.32 0.00 -1.26 -5.16 105.19 112.38 1vdy n GLY 136 Ca 0.26 0.89 -0.31 0.00 0.00 0.00 0.00 46.02 46.87 1vdy n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vdy s PRO 137 N 0.00 2.17 0.00 1.61 0.04 -1.26 -5.08 135.00 132.48 1vdy s PRO 137 Ca 0.00 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1vdy s PRO 137 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1vdy s PRO 137 CO 0.00 -1.67 0.00 -1.13 0.04 0.00 0.00 177.00 174.24 1vdy n SER 138 N -3.52 1.01 -4.79 6.66 3.41 -1.26 -5.14 113.62 109.99 1vdy n SER 138 Ca 0.08 -0.31 -0.35 0.00 -0.26 0.00 0.00 58.87 58.03 1vdy n SER 138 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1vdy n SER 138 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1vdy s SER 139 N 0.38 6.41 0.00 4.04 0.15 -1.26 -5.36 113.70 118.06 1vdy s SER 139 Ca 0.00 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.68 1vdy s SER 139 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1vdy s SER 139 CO 0.00 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.31