#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy n SER 2 N 0.00 -2.51 0.00 1.61 2.88 -1.26 -4.94 113.62 109.40 1vdy n SER 2 Ca 0.00 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 1vdy n SER 2 Cb 0.00 -4.99 0.00 0.00 -0.75 0.00 0.00 64.21 58.47 1vdy n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vdy n SER 3 N -3.13 4.83 0.00 -3.46 2.88 -1.26 -5.08 113.62 108.40 1vdy n SER 3 Ca -0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1vdy n SER 3 Cb 0.66 0.94 0.00 0.00 -0.75 0.00 0.00 64.21 65.06 1vdy n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vdy n GLY 4 N 2.44 -1.38 3.21 0.46 0.00 -1.26 -5.02 105.19 103.64 1vdy n GLY 4 Ca 0.00 0.46 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 1vdy n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vdy n SER 5 N 0.00 -6.20 -0.06 1.61 2.88 -1.26 -4.94 113.62 105.66 1vdy n SER 5 Ca 0.00 -0.37 -0.14 0.00 -1.33 0.00 0.00 58.87 57.03 1vdy n SER 5 Cb 0.00 -4.97 -0.09 0.00 -0.75 0.00 0.00 64.21 58.40 1vdy n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1vdy h SER 6 N -1.79 -1.68 -0.77 -3.46 0.02 -2.07 -3.45 113.55 100.35 1vdy h SER 6 Ca -0.54 0.21 -0.33 0.00 -0.84 0.00 0.00 61.79 60.28 1vdy h SER 6 Cb 1.37 0.67 -0.13 0.00 0.14 0.00 0.00 62.40 64.45 1vdy h SER 6 CO 0.57 -0.43 -0.30 0.61 -1.14 0.00 0.00 176.83 176.14 1vdy n GLY 7 N -1.39 1.58 0.62 -3.77 0.00 -1.26 -4.85 105.19 96.12 1vdy n GLY 7 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.13 1.07 -0.03 1.61 -0.58 -1.26 -4.30 120.64 115.01 1vdy n GLU 8 Ca -0.16 -0.06 -0.09 0.00 -0.42 0.00 0.00 57.16 56.43 1vdy n GLU 8 Cb 0.58 -1.43 -0.02 0.00 -0.57 0.00 0.00 31.44 30.00 1vdy n GLU 8 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1vdy h SER 9 N 0.07 -0.71 -0.79 1.62 4.64 -2.01 -2.32 113.55 114.04 1vdy h SER 9 Ca 0.00 0.13 0.19 0.00 -0.47 0.00 0.00 61.79 61.64 1vdy h SER 9 Cb 0.62 0.33 -0.13 0.00 -0.31 0.00 0.00 62.40 62.91 1vdy h SER 9 CO 0.01 -0.27 0.07 0.22 -0.87 0.00 0.00 176.83 176.00 1vdy h TYR 10 N -0.25 0.07 0.58 4.77 5.03 -1.98 0.15 116.97 125.34 1vdy h TYR 10 Ca 0.12 0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 1vdy h TYR 10 Cb 0.44 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.81 1vdy h TYR 10 CO -0.36 -0.22 -0.35 2.35 -1.32 0.00 0.00 178.16 178.25 1vdy h TRP 11 N 0.14 -0.93 -0.43 -3.82 -0.00 -1.75 0.16 115.95 109.32 1vdy h TRP 11 Ca 0.45 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 59.30 1vdy h TRP 11 Cb 0.82 0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 30.29 1vdy h TRP 11 CO -0.38 -0.52 0.16 0.00 -0.00 0.00 0.00 178.44 177.71 1vdy h ARG 12 N -0.86 0.65 -0.64 2.65 2.47 -1.38 -3.02 114.38 114.25 1vdy h ARG 12 Ca -0.08 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1vdy h ARG 12 Cb 0.69 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.87 1vdy h ARG 12 CO 0.08 0.61 0.39 1.03 0.56 0.00 0.00 179.97 182.64 1vdy h SER 13 N 0.55 0.77 -0.87 7.04 0.87 -0.70 -2.89 113.55 118.31 1vdy h SER 13 Ca 0.14 -0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.75 1vdy h SER 13 Cb 0.21 -0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 61.89 1vdy h SER 13 CO -0.01 0.59 0.50 0.03 -0.53 0.00 0.00 176.83 177.42 1vdy h ARG 14 N 0.87 0.79 0.06 2.24 2.47 -0.55 0.29 114.38 120.55 1vdy h ARG 14 Ca 0.23 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1vdy h ARG 14 Cb -0.04 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.11 1vdy h ARG 14 CO -0.04 0.53 -0.03 0.52 0.56 0.00 0.00 179.97 181.50 1vdy h MET 15 N 0.82 -0.07 -0.26 0.04 2.86 -1.49 0.64 114.93 117.46 1vdy h MET 15 Ca 0.43 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.06 1vdy h MET 15 Cb 0.43 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1vdy h MET 15 CO -0.27 -0.00 0.10 0.82 1.06 0.00 0.00 176.91 178.62 1vdy h ILE 16 N -0.12 1.18 -0.62 -1.22 1.08 -1.38 -2.53 117.51 113.89 1vdy h ILE 16 Ca -0.01 -0.55 0.08 0.00 -0.39 0.00 0.00 64.86 64.00 1vdy h ILE 16 Cb 0.10 1.05 -0.07 0.00 -3.07 0.00 0.00 36.82 34.83 1vdy h ILE 16 CO 0.01 0.18 0.28 -0.78 -0.69 0.00 0.00 178.15 177.15 1vdy h ASP 17 N 0.27 0.33 0.79 1.72 3.58 -0.25 -0.56 116.42 122.30 1vdy h ASP 17 Ca 0.09 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1vdy h ASP 17 Cb 0.19 0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.26 1vdy h ASP 17 CO -0.01 0.20 -0.38 0.00 -2.88 0.00 0.00 179.24 176.17 1vdy h ALA 18 N 1.40 -1.06 -0.02 -0.78 0.00 -0.73 0.10 119.26 118.17 1vdy h ALA 18 Ca 0.31 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1vdy h ALA 18 Cb 0.33 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1vdy h ALA 18 CO -0.27 -1.02 0.02 -0.39 0.00 0.00 0.00 179.25 177.59 1vdy h VAL 19 N -1.22 0.71 -0.02 0.00 -1.51 -1.25 -1.39 116.25 111.56 1vdy h VAL 19 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1vdy h VAL 19 Cb 0.83 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1vdy h VAL 19 CO 0.18 0.00 -0.16 0.35 -1.23 0.00 0.00 177.57 176.71 1vdy n THR 20 N -4.12 0.00 -1.72 7.19 -2.24 -0.24 -4.66 114.28 108.49 1vdy n THR 20 Ca -0.03 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.08 1vdy n THR 20 Cb 0.11 0.99 0.07 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.20 4.60 0.00 3.42 0.15 0.34 -4.39 113.70 115.63 1vdy s SER 21 Ca 0.28 2.53 -0.02 0.00 0.70 0.00 0.00 55.95 59.44 1vdy s SER 21 Cb 0.20 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.81 1vdy s SER 21 CO 0.41 -2.00 1.93 -0.90 1.20 0.00 0.00 173.24 173.88 1vdy n ASP 22 N -2.03 3.43 0.00 5.45 5.75 -1.26 -4.38 116.55 123.51 1vdy n ASP 22 Ca 0.15 -2.03 0.15 0.00 -0.01 0.00 0.00 54.79 53.05 1vdy n ASP 22 Cb 0.49 -0.83 0.84 0.00 -1.03 0.00 0.00 41.12 40.59 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 2.19 0.74 0.00 0.11 0.28 -1.26 -4.90 120.64 117.79 1vdy n GLU 23 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1vdy n GLU 23 Cb 0.46 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.83 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 -1.12 0.00 -4.71 -1.84 5.68 -1.26 -4.95 116.55 108.36 1vdy n ASP 24 Ca 0.19 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 54.06 1vdy n ASP 24 Cb 0.16 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.11 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 0.00 4.14 0.42 0.11 2.47 -1.26 -4.94 119.74 120.67 1vdy s LYS 25 Ca 0.00 2.57 -0.26 0.00 -1.56 0.00 0.00 55.97 56.72 1vdy s LYS 25 Cb 0.00 -3.34 -0.09 0.00 -1.46 0.00 0.00 37.83 32.95 1vdy s LYS 25 CO 0.00 -0.78 1.39 0.54 0.16 0.00 0.00 175.35 176.65 1vdy s VAL 26 N 1.94 2.29 -0.02 4.02 0.11 -1.26 -4.88 120.40 122.60 1vdy s VAL 26 Ca 0.77 0.26 -0.32 0.00 -2.93 0.00 0.00 61.98 59.76 1vdy s VAL 26 Cb -0.47 -3.16 -0.11 0.00 -1.53 0.00 0.00 36.38 31.11 1vdy s VAL 26 CO 0.34 0.04 1.90 0.00 -3.33 0.00 0.00 175.10 174.05 1vdy n ALA 27 N 0.06 1.25 -1.77 1.54 0.00 -1.26 -4.97 120.51 115.36 1vdy n ALA 27 Ca 0.04 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 1vdy n ALA 27 Cb 0.42 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 1vdy n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vdy s PRO 28 N 3.99 3.75 0.20 0.00 0.04 -1.26 -4.98 135.00 136.73 1vdy s PRO 28 Ca 0.90 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1vdy s PRO 28 Cb -0.58 -2.10 0.24 0.00 0.04 0.00 0.00 34.50 32.09 1vdy s PRO 28 CO 0.47 -0.45 1.77 0.28 0.04 0.00 0.00 177.00 179.10 1vdy h VAL 29 N 1.10 0.86 -0.95 -0.36 2.07 -2.00 -2.70 116.25 114.27 1vdy h VAL 29 Ca -0.48 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 66.95 1vdy h VAL 29 Cb 1.21 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1vdy h VAL 29 CO 0.59 0.09 0.61 0.10 0.02 0.00 0.00 177.57 178.99 1vdy h TYR 30 N 0.49 1.09 -0.09 1.57 -0.00 -2.00 -1.02 116.97 117.02 1vdy h TYR 30 Ca 0.28 0.03 -0.08 0.00 0.00 0.00 0.00 58.73 58.96 1vdy h TYR 30 Cb 0.28 -0.36 -0.01 0.00 0.00 0.00 0.00 36.73 36.64 1vdy h TYR 30 CO -0.13 0.55 -0.32 0.87 -0.00 0.00 0.00 178.16 179.13 1vdy h LYS 31 N 1.06 0.16 -0.07 0.10 1.57 -1.88 -2.59 116.57 114.92 1vdy h LYS 31 Ca 0.42 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1vdy h LYS 31 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1vdy h LYS 31 CO -0.17 0.47 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.46 1vdy h LEU 32 N 0.14 0.31 -1.21 2.94 3.38 -1.21 -3.16 115.31 116.49 1vdy h LEU 32 Ca 0.02 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1vdy h LEU 32 Cb 0.64 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1vdy h LEU 32 CO 0.05 0.87 -0.29 -0.33 0.09 0.00 0.00 178.44 178.82 1vdy h GLU 33 N 0.19 0.17 -0.61 1.13 5.08 -0.97 -1.44 114.58 118.13 1vdy h GLU 33 Ca -0.01 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1vdy h GLU 33 Cb 1.17 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1vdy h GLU 33 CO 0.10 0.45 0.40 0.93 -1.00 0.00 0.00 179.01 179.90 1vdy h GLU 34 N 0.15 0.80 -0.06 2.33 5.08 -1.49 0.34 114.58 121.73 1vdy h GLU 34 Ca 0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1vdy h GLU 34 Cb 0.60 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1vdy h GLU 34 CO 0.04 0.53 -0.02 0.82 -1.00 0.00 0.00 179.01 179.39 1vdy h ILE 35 N 0.82 1.30 -0.21 3.13 2.04 -1.58 -2.80 117.51 120.22 1vdy h ILE 35 Ca 0.22 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1vdy h ILE 35 Cb -0.10 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1vdy h ILE 35 CO -0.05 0.26 -0.17 0.00 0.00 0.00 0.00 178.15 178.19 1vdy h ASP 37 N -0.18 1.04 0.21 0.00 1.82 -0.98 -2.22 116.42 116.12 1vdy h ASP 37 Ca 0.12 -0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.61 1vdy h ASP 37 Cb 0.36 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1vdy h ASP 37 CO -0.31 0.71 -0.55 -0.07 -1.61 0.00 0.00 179.24 177.41 1vdy h LEU 38 N 1.21 0.40 0.18 2.28 3.38 -1.13 -3.11 115.31 118.51 1vdy h LEU 38 Ca 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1vdy h LEU 38 Cb 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1vdy h LEU 38 CO -0.12 0.87 -0.08 -0.07 0.09 0.00 0.00 178.44 179.13 1vdy h LEU 39 N 0.28 -0.20 -1.06 1.67 3.38 -0.46 -2.86 115.31 116.06 1vdy h LEU 39 Ca 0.00 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1vdy h LEU 39 Cb 1.05 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1vdy h LEU 39 CO 0.09 0.01 0.63 0.08 0.09 0.00 0.00 178.44 179.34 1vdy h ARG 40 N -0.40 1.26 -0.00 1.13 -0.00 -1.53 -2.29 114.38 112.55 1vdy h ARG 40 Ca -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 59.98 59.88 1vdy h ARG 40 Cb 0.31 -0.28 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 1vdy h ARG 40 CO 0.04 0.84 -0.01 -1.13 -0.00 0.00 0.00 179.97 179.71 1vdy n SER 41 N -4.39 0.13 -4.82 0.08 3.41 -1.18 -4.91 113.62 101.94 1vdy n SER 41 Ca 0.11 -0.84 -0.22 0.00 -0.26 0.00 0.00 58.87 57.67 1vdy n SER 41 Cb 0.02 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vdy s SER 42 N -2.14 5.25 0.57 4.04 0.01 -0.86 -5.09 113.70 115.48 1vdy s SER 42 Ca 0.42 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 57.05 1vdy s SER 42 Cb 0.21 -1.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 1vdy s SER 42 CO 0.39 -0.24 1.08 -2.28 0.41 0.00 0.00 173.24 172.60 1vdy s HIS 43 N -2.27 2.86 0.52 2.43 2.46 -1.26 -4.87 115.29 115.15 1vdy s HIS 43 Ca 0.38 1.54 0.24 0.00 0.47 0.00 0.00 55.06 57.68 1vdy s HIS 43 Cb -0.06 -3.11 1.35 0.00 -0.13 0.00 0.00 32.58 30.64 1vdy s HIS 43 CO 0.25 -1.25 2.00 -0.24 -2.47 0.00 0.00 174.74 173.03 1vdy h VAL 44 N 0.75 0.76 -0.20 0.89 3.04 -1.99 -0.02 116.25 119.48 1vdy h VAL 44 Ca -0.48 -0.02 0.05 0.00 -1.01 0.00 0.00 66.70 65.25 1vdy h VAL 44 Cb 1.23 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1vdy h VAL 44 CO 0.57 0.01 0.14 -1.28 -1.01 0.00 0.00 177.57 176.00 1vdy h SER 45 N 0.04 0.02 0.12 3.17 0.87 -1.99 0.21 113.55 116.00 1vdy h SER 45 Ca 0.24 -0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.57 1vdy h SER 45 Cb 0.91 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1vdy h SER 45 CO -0.01 0.01 -1.11 0.40 -0.53 0.00 0.00 176.83 175.59 1vdy h ILE 46 N 0.02 1.27 -0.61 2.23 1.08 -1.37 -2.88 117.51 117.25 1vdy h ILE 46 Ca 0.09 -2.46 0.05 0.00 -0.39 0.00 0.00 64.86 62.15 1vdy h ILE 46 Cb 0.35 2.94 -0.05 0.00 -3.07 0.00 0.00 36.82 36.99 1vdy h ILE 46 CO -0.00 0.70 0.33 0.58 -0.69 0.00 0.00 178.15 179.06 1vdy h VAL 47 N -0.36 0.96 0.40 1.67 2.07 -1.16 0.67 116.25 120.50 1vdy h VAL 47 Ca -0.22 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1vdy h VAL 47 Cb 1.69 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1vdy h VAL 47 CO 0.10 0.11 -0.19 0.11 0.02 0.00 0.00 177.57 177.72 1vdy h LYS 48 N 0.62 -0.51 -0.62 1.57 1.57 -1.11 -1.43 116.57 116.65 1vdy h LYS 48 Ca 0.27 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1vdy h LYS 48 Cb 0.16 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1vdy h LYS 48 CO -0.17 -0.29 0.41 0.93 -0.57 0.00 0.00 179.45 179.76 1vdy h GLU 49 N -0.63 0.68 -0.39 3.15 4.39 -1.24 -1.22 114.58 119.32 1vdy h GLU 49 Ca -0.05 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1vdy h GLU 49 Cb 0.46 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1vdy h GLU 49 CO 0.09 0.45 0.15 0.74 -1.16 0.00 0.00 179.01 179.28 1vdy h PHE 50 N 0.70 0.60 -0.62 4.33 0.04 -0.45 -1.44 116.94 120.10 1vdy h PHE 50 Ca 0.25 -0.05 0.05 0.00 2.80 0.00 0.00 57.97 61.02 1vdy h PHE 50 Cb 0.13 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 1vdy h PHE 50 CO -0.00 0.55 0.35 0.66 -0.60 0.00 0.00 178.31 179.27 1vdy h SER 51 N 0.49 0.54 -0.03 2.17 4.64 -0.18 -1.89 113.55 119.29 1vdy h SER 51 Ca 0.13 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1vdy h SER 51 Cb 0.20 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1vdy h SER 51 CO -0.01 0.36 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.93 1vdy h GLU 52 N 0.67 -0.08 0.00 4.77 4.39 -0.99 -1.19 114.58 122.16 1vdy h GLU 52 Ca 0.27 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 1vdy h GLU 52 Cb 0.12 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1vdy h GLU 52 CO -0.15 -0.05 -0.07 0.74 -1.16 0.00 0.00 179.01 178.31 1vdy h PHE 53 N -0.08 0.00 -0.17 4.33 0.04 -0.89 -1.26 116.94 118.91 1vdy h PHE 53 Ca 0.03 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 1vdy h PHE 53 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1vdy h PHE 53 CO -0.14 0.07 -0.33 0.82 -0.60 0.00 0.00 178.31 178.14 1vdy h ILE 54 N 0.00 1.35 -0.84 -0.55 2.04 -0.53 -3.14 117.51 115.83 1vdy h ILE 54 Ca -0.00 -1.57 0.01 0.00 1.00 0.00 0.00 64.86 64.30 1vdy h ILE 54 Cb 0.13 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 1vdy h ILE 54 CO 0.01 0.48 0.55 -0.07 0.00 0.00 0.00 178.15 179.12 1vdy h LEU 55 N 0.16 0.97 -1.19 1.44 3.38 -0.59 -0.57 115.31 118.91 1vdy h LEU 55 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vdy h LEU 55 Cb 0.92 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1vdy h LEU 55 CO 0.07 0.70 0.00 0.29 0.09 0.00 0.00 178.44 179.60 1vdy n LYS 56 N -4.50 0.12 0.03 1.13 4.76 -0.54 -1.37 118.16 117.81 1vdy n LYS 56 Ca 0.09 0.60 -0.06 0.00 -2.87 0.00 0.00 58.31 56.07 1vdy n LYS 56 Cb 0.02 -1.89 -0.11 0.00 -1.84 0.00 0.00 35.03 31.21 1vdy n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vdy h ARG 57 N 0.00 0.00 0.00 1.97 2.47 -1.09 -3.31 114.38 114.43 1vdy h ARG 57 Ca 0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1vdy h ARG 57 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1vdy h ARG 57 CO 0.00 0.64 -0.22 -0.07 0.56 0.00 0.00 179.97 180.89 1vdy h LEU 58 N 0.00 0.00 0.00 3.04 3.38 -1.23 -2.16 115.31 118.33 1vdy h LEU 58 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1vdy h LEU 58 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1vdy h LEU 58 CO 0.09 0.22 0.00 -0.67 0.09 0.00 0.00 178.44 178.17 1vdy n ASP 59 N -3.65 0.00 -4.76 -0.43 2.03 -1.23 -4.87 116.55 103.64 1vdy n ASP 59 Ca -0.01 -0.43 -0.33 0.00 0.52 0.00 0.00 54.79 54.53 1vdy n ASP 59 Cb 0.34 -0.17 0.06 0.00 -0.72 0.00 0.00 41.12 40.63 1vdy n ASP 59 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1vdy s ASN 60 N -2.33 4.89 0.07 1.67 3.84 -0.81 -4.98 114.94 117.29 1vdy s ASN 60 Ca 0.33 2.11 -0.15 0.00 0.21 0.00 0.00 52.86 55.36 1vdy s ASN 60 Cb 0.19 -2.56 -0.21 0.00 -0.55 0.00 0.00 41.25 38.12 1vdy s ASN 60 CO 0.38 -1.78 1.21 0.50 -2.79 0.00 0.00 177.10 174.62 1vdy h LYS 61 N 0.01 0.66 -6.79 0.43 1.63 -1.90 -3.45 116.57 107.17 1vdy h LYS 61 Ca -0.47 -0.64 -0.52 0.00 -0.85 0.00 0.00 60.65 58.17 1vdy h LYS 61 Cb 1.26 0.16 0.06 0.00 -0.60 0.00 0.00 32.23 33.11 1vdy h LYS 61 CO 0.53 1.24 0.70 -1.12 -3.45 0.00 0.00 179.45 177.35 1vdy s SER 62 N -7.08 6.73 0.12 4.20 0.01 -1.26 -4.95 113.70 111.47 1vdy s SER 62 Ca -0.11 2.64 -0.14 0.00 1.31 0.00 0.00 55.95 59.65 1vdy s SER 62 Cb 0.07 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1vdy s SER 62 CO 0.89 -0.61 1.51 1.55 0.41 0.00 0.00 173.24 176.99 1vdy h PRO 63 N 4.44 0.74 -0.37 12.44 0.13 -1.92 -3.24 132.00 144.22 1vdy h PRO 63 Ca -0.47 -0.30 0.07 0.00 -0.87 0.00 0.00 66.00 64.43 1vdy h PRO 63 Cb 1.22 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 1vdy h PRO 63 CO 0.73 0.91 -0.38 0.82 -0.23 0.00 0.00 178.00 179.85 1vdy h ILE 64 N 0.54 0.17 -0.57 -3.56 2.04 -1.93 -1.66 117.51 112.54 1vdy h ILE 64 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 1vdy h ILE 64 Cb 0.66 0.17 -0.10 0.00 -0.74 0.00 0.00 36.82 36.81 1vdy h ILE 64 CO 0.04 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.66 1vdy h VAL 65 N -0.31 0.45 0.15 1.67 2.07 -1.76 -1.61 116.25 116.92 1vdy h VAL 65 Ca 0.15 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.68 1vdy h VAL 65 Cb 0.57 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1vdy h VAL 65 CO -0.54 0.00 -0.40 0.11 0.02 0.00 0.00 177.57 176.76 1vdy h LYS 66 N 0.02 -0.64 -0.80 1.57 1.57 -1.35 -2.58 116.57 114.37 1vdy h LYS 66 Ca 0.28 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.25 1vdy h LYS 66 Cb 0.43 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.79 1vdy h LYS 66 CO -0.56 -0.42 0.37 0.37 -0.57 0.00 0.00 179.45 178.63 1vdy h GLN 67 N -0.66 0.51 -0.57 3.15 -0.00 -0.99 -1.40 115.11 115.15 1vdy h GLN 67 Ca 0.02 -0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.72 1vdy h GLN 67 Cb 0.67 -0.11 -0.07 0.00 0.00 0.00 0.00 27.48 27.97 1vdy h GLN 67 CO -0.22 0.34 0.22 0.87 0.00 0.00 0.00 178.83 180.04 1vdy h LYS 68 N 0.52 0.40 -0.26 1.69 1.57 -1.01 -1.26 116.57 118.22 1vdy h LYS 68 Ca 0.44 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 1vdy h LYS 68 Cb 0.66 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1vdy h LYS 68 CO -0.39 0.26 0.04 0.00 -0.57 0.00 0.00 179.45 178.79 1vdy h ALA 69 N 1.38 0.35 -0.62 3.86 0.00 -1.09 -2.66 119.26 120.47 1vdy h ALA 69 Ca 0.28 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1vdy h ALA 69 Cb 0.32 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 1vdy h ALA 69 CO -0.27 0.04 -0.06 -0.07 0.00 0.00 0.00 179.25 178.88 1vdy h LEU 70 N 0.25 -0.40 -0.75 0.00 -0.00 -0.46 0.26 115.31 114.20 1vdy h LEU 70 Ca 0.08 0.17 -0.06 0.00 -0.00 0.00 0.00 57.88 58.07 1vdy h LEU 70 Cb 0.35 0.32 -0.03 0.00 -0.00 0.00 0.00 40.66 41.30 1vdy h LEU 70 CO 0.01 -0.16 0.24 -0.09 -0.00 0.00 0.00 178.44 178.44 1vdy h ARG 71 N 0.06 1.16 0.09 1.13 2.43 -1.24 -2.82 114.38 115.21 1vdy h ARG 71 Ca 0.32 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1vdy h ARG 71 Cb 0.51 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1vdy h ARG 71 CO -0.58 0.98 -0.04 1.25 -1.51 0.00 0.00 179.97 180.07 1vdy h LEU 72 N 1.11 -0.11 -0.67 3.80 7.12 -0.83 -2.59 115.31 123.14 1vdy h LEU 72 Ca 0.24 -0.23 0.10 0.00 0.13 0.00 0.00 57.88 58.12 1vdy h LEU 72 Cb 0.30 0.03 -0.11 0.00 -0.53 0.00 0.00 40.66 40.34 1vdy h LEU 72 CO -0.01 0.18 -0.44 0.40 -0.13 0.00 0.00 178.44 178.44 1vdy h ILE 73 N -0.39 0.07 -0.20 4.05 2.04 -0.85 0.26 117.51 122.48 1vdy h ILE 73 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1vdy h ILE 73 Cb 0.33 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1vdy h ILE 73 CO 0.02 0.00 0.11 0.07 0.00 0.00 0.00 178.15 178.36 1vdy h LYS 74 N -0.18 0.28 -0.23 2.37 2.10 -1.55 0.36 116.57 119.72 1vdy h LYS 74 Ca 0.20 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.87 1vdy h LYS 74 Cb 0.55 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.78 1vdy h LYS 74 CO -0.75 0.25 -0.10 -0.92 -2.00 0.00 0.00 179.45 175.93 1vdy h TYR 75 N 0.23 -0.23 0.01 0.07 3.20 -0.71 -2.19 116.97 117.34 1vdy h TYR 75 Ca 0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1vdy h TYR 75 Cb 0.05 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1vdy h TYR 75 CO -0.04 -0.15 -0.00 0.00 -1.64 0.00 0.00 178.16 176.32 1vdy h ALA 76 N 1.14 -0.01 0.00 1.82 0.00 -0.50 -3.06 119.26 118.64 1vdy h ALA 76 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1vdy h ALA 76 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1vdy h ALA 76 CO -0.27 -0.30 0.00 1.55 0.00 0.00 0.00 179.25 180.23 1vdy n VAL 77 N -4.90 1.35 1.12 0.00 3.14 0.11 -0.96 118.33 118.18 1vdy n VAL 77 Ca -0.08 0.59 0.12 0.00 -2.96 0.00 0.00 64.34 62.01 1vdy n VAL 77 Cb 0.22 -1.57 0.18 0.00 -1.06 0.00 0.00 33.84 31.61 1vdy n VAL 77 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vdy n GLY 78 N -1.19 -0.28 1.51 7.55 0.00 -0.84 -4.75 105.19 107.19 1vdy n GLY 78 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.34 0.00 -0.36 1.61 2.85 -0.14 -4.98 118.16 116.81 1vdy n LYS 79 Ca 0.11 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.27 1vdy n LYS 79 Cb 0.41 -0.15 -0.09 0.00 -0.65 0.00 0.00 35.03 34.55 1vdy n LYS 79 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1vdy n SER 80 N -2.35 -0.91 0.00 -5.58 7.64 -0.46 -4.97 113.62 106.99 1vdy n SER 80 Ca 0.00 1.57 0.00 0.00 1.01 0.00 0.00 58.87 61.45 1vdy n SER 80 Cb 0.05 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1vdy n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vdy n GLY 81 N -1.21 -0.28 0.20 0.23 0.00 -1.26 -4.81 105.19 98.05 1vdy n GLY 81 Ca 0.02 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 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 0.74 0.21 1.61 4.64 -1.96 -3.32 113.55 115.47 1vdy h SER 82 Ca 0.00 -0.53 -0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1vdy h SER 82 Cb 0.00 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1vdy h SER 82 CO 0.00 1.13 -0.28 -0.33 -0.87 0.00 0.00 176.83 176.48 1vdy h GLU 83 N 0.38 -0.49 -0.66 4.77 3.07 -2.00 -1.93 114.58 117.71 1vdy h GLU 83 Ca 0.02 0.03 0.19 0.00 -0.50 0.00 0.00 59.36 59.10 1vdy h GLU 83 Cb 0.98 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.98 1vdy h GLU 83 CO 0.09 -0.33 0.49 0.35 -1.40 0.00 0.00 179.01 178.21 1vdy h PHE 84 N -0.51 0.00 0.05 4.33 3.57 -1.93 0.07 116.94 122.52 1vdy h PHE 84 Ca -0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1vdy h PHE 84 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1vdy h PHE 84 CO -0.23 0.00 -0.02 -0.09 -2.23 0.00 0.00 178.31 175.74 1vdy h ARG 85 N 0.00 -0.07 -0.09 1.11 2.43 -1.50 -2.42 114.38 113.85 1vdy h ARG 85 Ca 0.31 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.52 1vdy h ARG 85 Cb 1.28 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1vdy h ARG 85 CO -0.00 0.37 -0.13 0.00 -1.51 0.00 0.00 179.97 178.69 1vdy h ARG 86 N -0.53 -0.17 0.00 0.20 2.47 -0.28 0.17 114.38 116.24 1vdy h ARG 86 Ca -0.01 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1vdy h ARG 86 Cb 0.47 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1vdy h ARG 86 CO 0.01 -0.11 0.00 -0.85 0.56 0.00 0.00 179.97 179.58 1vdy n GLU 87 N -5.27 0.01 -0.13 0.04 0.28 -0.70 -2.26 120.64 112.61 1vdy n GLU 87 Ca -0.04 0.36 -0.26 0.00 -0.16 0.00 0.00 57.16 57.07 1vdy n GLU 87 Cb 0.19 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.47 1vdy n GLU 87 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1vdy n MET 88 N -1.47 0.58 -0.10 3.44 1.56 -0.14 -4.33 117.12 116.67 1vdy n MET 88 Ca 0.02 0.27 -0.06 0.00 -0.27 0.00 0.00 57.70 57.66 1vdy n MET 88 Cb 0.07 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 33.95 1vdy n MET 88 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 1vdy h GLN 89 N -1.00 -0.08 -0.56 2.12 4.20 -0.61 0.61 115.11 119.80 1vdy h GLN 89 Ca -0.57 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.30 1vdy h GLN 89 Cb 1.50 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 1vdy h GLN 89 CO -0.35 -0.05 0.52 -0.09 -0.67 0.00 0.00 178.83 178.19 1vdy h ARG 90 N -0.08 0.00 0.00 1.46 2.43 -1.70 -1.50 114.38 115.00 1vdy h ARG 90 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1vdy h ARG 90 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1vdy h ARG 90 CO -0.40 0.00 -0.08 0.09 -1.51 0.00 0.00 179.97 178.07 1vdy n ASN 91 N -3.86 1.61 0.00 -3.80 3.02 -0.56 -4.79 115.26 106.88 1vdy n ASN 91 Ca 0.11 -2.37 0.02 0.00 -0.03 0.00 0.00 54.58 52.32 1vdy n ASN 91 Cb 0.74 -0.22 0.15 0.00 -0.61 0.00 0.00 39.78 39.84 1vdy n ASN 91 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1vdy n SER 92 N -0.77 0.00 -0.26 6.41 2.88 0.10 -2.63 113.62 119.35 1vdy n SER 92 Ca 0.07 -0.23 0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1vdy n SER 92 Cb 0.52 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.31 1vdy n SER 92 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1vdy h VAL 93 N 0.00 0.95 -0.79 2.46 3.04 -1.87 -1.63 116.25 118.41 1vdy h VAL 93 Ca 0.00 -0.28 0.18 0.00 -1.01 0.00 0.00 66.70 65.59 1vdy h VAL 93 Cb 0.00 0.07 -0.11 0.00 -2.01 0.00 0.00 31.29 29.24 1vdy h VAL 93 CO 0.00 0.15 0.26 0.00 -1.01 0.00 0.00 177.57 176.97 1vdy h ALA 94 N 1.58 1.11 0.02 3.17 0.00 -1.91 -0.66 119.26 122.56 1vdy h ALA 94 Ca 0.40 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.31 1vdy h ALA 94 Cb 0.44 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1vdy h ALA 94 CO -0.16 -0.32 -0.60 0.28 0.00 0.00 0.00 179.25 178.45 1vdy h VAL 95 N 0.34 1.45 -0.43 0.00 2.07 -1.57 -3.31 116.25 114.79 1vdy h VAL 95 Ca 0.46 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.86 1vdy h VAL 95 Cb 0.80 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 1vdy h VAL 95 CO -0.50 0.62 0.29 0.03 0.02 0.00 0.00 177.57 178.02 1vdy h ARG 96 N -0.17 0.54 0.00 1.57 3.08 -1.08 -1.18 114.38 117.14 1vdy h ARG 96 Ca -0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1vdy h ARG 96 Cb 1.34 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1vdy h ARG 96 CO 0.12 0.36 0.00 -0.91 -1.07 0.00 0.00 179.97 178.47 1vdy h ASN 97 N 0.56 0.00 -0.01 7.04 2.35 -1.24 -2.17 115.58 122.11 1vdy h ASN 97 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 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 -0.04 0.00 -0.41 0.18 -1.65 0.00 0.00 177.43 175.52 1vdy n LEU 98 N -2.32 1.90 0.03 1.61 4.77 -0.45 -4.03 117.00 118.52 1vdy n LEU 98 Ca -0.00 -0.77 0.04 0.00 -0.03 0.00 0.00 56.01 55.24 1vdy n LEU 98 Cb 0.10 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.37 1vdy n LEU 98 CO 0.14 0.36 0.62 0.49 -1.33 0.00 0.00 177.39 177.66 1vdy n PHE 99 N -0.02 0.14 -1.28 -1.77 3.01 -0.81 -1.78 117.46 114.94 1vdy n PHE 99 Ca 0.08 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1vdy n PHE 99 Cb 0.42 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 1vdy n PHE 99 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1vdy n HIS 100 N -1.63 0.00 -1.72 1.38 1.44 -1.26 -4.99 115.22 108.44 1vdy n HIS 100 Ca 0.01 -0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1vdy n HIS 100 Cb 0.06 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.12 1vdy n HIS 100 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1vdy n TYR 101 N -0.00 2.73 0.00 -1.40 9.36 -0.74 -4.85 117.16 122.26 1vdy n TYR 101 Ca 0.00 0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.28 1vdy n TYR 101 Cb 0.56 -2.67 0.00 0.00 -0.63 0.00 0.00 39.34 36.60 1vdy n TYR 101 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1vdy n LYS 102 N 3.91 1.46 0.00 2.98 2.85 -1.26 -4.74 118.16 123.35 1vdy n LYS 102 Ca 0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 1vdy n LYS 102 Cb 0.34 -0.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.96 1vdy n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vdy n GLY 103 N 2.03 4.30 3.15 2.58 0.00 -1.26 -4.61 105.19 111.38 1vdy n GLY 103 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.94 1.16 1.61 0.09 -1.26 -5.16 115.29 112.67 1vdy s HIS 104 Ca 0.00 -0.67 -0.17 0.00 -0.00 0.00 0.00 55.06 54.22 1vdy s HIS 104 Cb 0.00 -0.53 0.27 0.00 -0.00 0.00 0.00 32.58 32.32 1vdy s HIS 104 CO 0.00 -0.05 1.08 -1.25 -0.00 0.00 0.00 174.74 174.52 1vdy s PRO 105 N -2.69 -0.89 -0.02 8.40 0.04 -1.26 -4.82 135.00 133.75 1vdy s PRO 105 Ca 0.03 0.19 0.02 0.00 0.04 0.00 0.00 61.00 61.28 1vdy s PRO 105 Cb -0.03 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1vdy s PRO 105 CO -0.01 -3.55 -0.08 -0.51 0.04 0.00 0.00 177.00 172.90 1vdy s ASP 106 N -3.58 1.00 0.31 6.66 1.11 -1.26 -4.82 116.67 116.10 1vdy s ASP 106 Ca 0.69 -0.15 0.16 0.00 0.18 0.00 0.00 52.55 53.43 1vdy s ASP 106 Cb -0.14 -0.22 0.33 0.00 1.07 0.00 0.00 42.92 43.95 1vdy s ASP 106 CO 0.57 0.06 1.56 1.55 1.18 0.00 0.00 175.17 180.10 1vdy h PRO 107 N 6.28 0.00 0.31 8.23 0.13 -1.98 -0.07 132.00 144.90 1vdy h PRO 107 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1vdy h PRO 107 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1vdy h PRO 107 CO 0.49 0.47 -0.15 1.37 -0.23 0.00 0.00 178.00 179.95 1vdy h LEU 108 N 0.00 -0.35 0.00 1.56 -0.00 -2.05 -3.40 115.31 111.06 1vdy h LEU 108 Ca -0.00 0.01 -0.21 0.00 -0.00 0.00 0.00 57.88 57.68 1vdy h LEU 108 Cb 1.19 0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.90 1vdy h LEU 108 CO 0.06 0.06 -1.92 0.29 -0.00 0.00 0.00 178.44 176.92 1vdy n LYS 109 N -4.82 0.66 -1.77 0.17 4.76 -1.26 -5.07 118.16 110.83 1vdy n LYS 109 Ca -0.05 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.41 1vdy n LYS 109 Cb 0.16 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 1vdy n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vdy n GLY 110 N 1.50 -0.80 4.26 0.72 0.00 -0.04 -4.45 105.19 106.38 1vdy n GLY 110 Ca -0.17 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1vdy n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vdy n ASP 111 N -0.49 0.85 -0.13 1.61 5.68 -1.25 -4.86 116.55 117.95 1vdy n ASP 111 Ca 0.02 -1.23 -0.28 0.00 -0.50 0.00 0.00 54.79 52.79 1vdy n ASP 111 Cb 0.11 -1.53 -0.10 0.00 -1.14 0.00 0.00 41.12 38.45 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vdy n ALA 112 N -4.45 1.15 -0.04 2.12 0.00 -1.26 -4.30 120.51 113.73 1vdy n ALA 112 Ca -0.31 -1.02 0.13 0.00 0.00 0.00 0.00 53.44 52.24 1vdy n ALA 112 Cb 0.67 0.03 0.55 0.00 0.00 0.00 0.00 19.45 20.70 1vdy n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vdy h LEU 113 N -0.96 0.27 -1.11 0.00 -0.00 -1.94 -0.75 115.31 110.81 1vdy h LEU 113 Ca -0.66 0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.16 1vdy h LEU 113 Cb 1.59 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 42.18 1vdy h LEU 113 CO -0.39 0.16 -0.08 -0.55 -0.00 0.00 0.00 178.44 177.58 1vdy h ASN 114 N 0.30 0.50 -0.74 -0.43 7.08 -1.88 -2.58 115.58 117.83 1vdy h ASN 114 Ca 0.25 -0.12 -0.05 0.00 -3.08 0.00 0.00 56.30 53.30 1vdy h ASN 114 Cb 0.59 -0.13 -0.03 0.00 -2.08 0.00 0.00 38.32 36.67 1vdy h ASN 114 CO -0.06 0.63 0.28 0.50 -2.08 0.00 0.00 177.43 176.70 1vdy h LYS 115 N 0.49 1.14 -0.50 4.14 3.11 -1.32 -2.27 116.57 121.36 1vdy h LYS 115 Ca 0.10 -0.22 0.05 0.00 -2.81 0.00 0.00 60.65 57.77 1vdy h LYS 115 Cb 0.45 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 1vdy h LYS 115 CO 0.02 0.94 0.33 0.00 -2.81 0.00 0.00 179.45 177.93 1vdy h ALA 116 N 1.19 1.86 0.62 5.00 0.00 -1.38 -0.82 119.26 125.72 1vdy h ALA 116 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1vdy h ALA 116 Cb 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1vdy h ALA 116 CO -0.02 0.07 -0.30 0.28 0.00 0.00 0.00 179.25 179.28 1vdy h VAL 117 N 0.48 0.13 -0.81 0.00 2.07 -1.37 -3.04 116.25 113.71 1vdy h VAL 117 Ca 0.21 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1vdy h VAL 117 Cb 0.23 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1vdy h VAL 117 CO -0.06 0.02 0.53 0.08 0.02 0.00 0.00 177.57 178.17 1vdy h ARG 118 N -1.15 0.95 0.51 1.57 -0.00 -1.35 -0.57 114.38 114.33 1vdy h ARG 118 Ca -0.08 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.98 59.82 1vdy h ARG 118 Cb 0.67 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.97 30.41 1vdy h ARG 118 CO 0.14 0.63 -0.38 0.93 -0.00 0.00 0.00 179.97 181.29 1vdy h GLU 119 N 0.97 -0.83 -0.03 0.08 4.39 -1.21 -2.15 114.58 115.81 1vdy h GLU 119 Ca 0.33 0.06 -0.07 0.00 0.34 0.00 0.00 59.36 60.02 1vdy h GLU 119 Cb 0.08 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1vdy h GLU 119 CO -0.10 -0.56 -0.29 1.15 -1.16 0.00 0.00 179.01 178.05 1vdy h THR 120 N -0.87 1.22 -0.97 1.13 2.02 -1.38 -2.81 112.91 111.25 1vdy h THR 120 Ca -0.05 -1.05 0.09 0.00 0.77 0.00 0.00 66.41 66.16 1vdy h THR 120 Cb 0.73 1.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.60 1vdy h THR 120 CO 0.01 0.31 0.62 0.00 0.37 0.00 0.00 175.52 176.83 1vdy h ALA 121 N 1.66 1.50 -0.23 6.16 0.00 -0.46 0.11 119.26 128.00 1vdy h ALA 121 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vdy h ALA 121 Cb 0.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1vdy h ALA 121 CO 0.04 0.32 0.14 0.45 0.00 0.00 0.00 179.25 180.21 1vdy h HIS 122 N 1.05 0.30 -0.43 0.00 -0.00 -1.19 -2.73 115.15 112.16 1vdy h HIS 122 Ca 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.75 1vdy h HIS 122 Cb 0.31 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1vdy h HIS 122 CO -0.00 0.22 0.03 0.93 -0.00 0.00 0.00 177.93 179.11 1vdy h GLU 123 N 0.29 0.74 -0.65 2.45 5.08 -1.35 -3.19 114.58 117.95 1vdy h GLU 123 Ca 0.08 -0.22 0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1vdy h GLU 123 Cb 0.00 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1vdy h GLU 123 CO -0.02 0.80 0.32 1.15 -1.00 0.00 0.00 179.01 180.26 1vdy h THR 124 N 0.59 0.87 -0.16 1.13 2.02 -0.68 -2.50 112.91 114.18 1vdy h THR 124 Ca 0.13 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1vdy h THR 124 Cb 0.44 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1vdy h THR 124 CO 0.02 0.10 0.10 0.40 0.37 0.00 0.00 175.52 176.51 1vdy h ILE 125 N 0.56 1.07 0.00 3.11 1.08 -1.48 -1.83 117.51 120.03 1vdy h ILE 125 Ca 0.31 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.61 1vdy h ILE 125 Cb 0.30 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1vdy h ILE 125 CO -0.24 0.07 0.09 0.28 -0.69 0.00 0.00 178.15 177.66 1vdy h SER 126 N 0.19 0.00 0.02 1.72 0.02 -1.47 0.02 113.55 114.05 1vdy h SER 126 Ca 0.06 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.61 1vdy h SER 126 Cb 0.02 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 1vdy h SER 126 CO -0.01 0.00 -2.40 0.00 -1.14 0.00 0.00 176.83 173.28 1vdy n ALA 127 N -1.76 1.32 0.02 3.77 0.00 -1.00 -3.59 120.51 119.27 1vdy n ALA 127 Ca -0.01 -1.03 -0.12 0.00 0.00 0.00 0.00 53.44 52.28 1vdy n ALA 127 Cb 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 1vdy n ALA 127 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1vdy h ILE 128 N -0.16 1.09 -1.37 0.00 2.04 -0.45 -2.98 117.51 115.67 1vdy h ILE 128 Ca -0.57 -0.26 -0.71 0.00 1.00 0.00 0.00 64.86 64.32 1vdy h ILE 128 Cb 1.86 1.24 -0.28 0.00 -0.74 0.00 0.00 36.82 38.90 1vdy h ILE 128 CO -0.12 0.07 0.95 0.49 0.00 0.00 0.00 178.15 179.54 1vdy n PHE 129 N -5.03 3.14 -0.70 1.37 3.72 -0.10 -4.82 117.46 115.04 1vdy n PHE 129 Ca -0.07 -2.77 -0.10 0.00 -0.05 0.00 0.00 57.45 54.46 1vdy n PHE 129 Cb 0.08 -1.36 -0.11 0.00 -0.94 0.00 0.00 39.48 37.15 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 -0.78 3.80 -3.48 4.37 2.88 -1.13 -4.75 113.62 114.54 1vdy n SER 130 Ca 0.60 -2.19 -0.10 0.00 -1.33 0.00 0.00 58.87 55.84 1vdy n SER 130 Cb 0.50 -0.99 -0.02 0.00 -0.75 0.00 0.00 64.21 62.94 1vdy n SER 130 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1vdy s GLU 131 N 1.76 0.99 -0.11 -1.46 1.03 -1.26 -5.07 118.70 114.57 1vdy s GLU 131 Ca 0.46 -0.30 -0.18 0.00 0.03 0.00 0.00 54.97 54.98 1vdy s GLU 131 Cb 0.21 0.46 -0.04 0.00 -0.80 0.00 0.00 34.13 33.95 1vdy s GLU 131 CO -0.00 -0.42 0.47 -2.00 -1.33 0.00 0.00 175.26 171.98 1vdy s GLU 132 N -3.11 4.33 -0.43 -4.83 -6.30 -1.26 -4.98 118.70 102.12 1vdy s GLU 132 Ca 0.02 0.45 0.08 0.00 -2.50 0.00 0.00 54.97 53.02 1vdy s GLU 132 Cb -0.01 -3.43 0.34 0.00 0.00 0.00 0.00 34.13 31.03 1vdy s GLU 132 CO -0.09 0.18 1.07 -1.71 0.02 0.00 0.00 175.26 174.74 1vdy n ASN 133 N 3.59 -1.56 0.00 -1.70 5.15 -1.26 -4.97 115.26 114.52 1vdy n ASN 133 Ca -0.07 -3.38 0.00 0.00 -0.60 0.00 0.00 54.58 50.53 1vdy n ASN 133 Cb 0.52 1.25 0.00 0.00 -0.53 0.00 0.00 39.78 41.01 1vdy n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vdy n GLY 134 N 0.20 1.87 0.72 8.20 0.00 -1.26 -5.12 105.19 109.80 1vdy n GLY 134 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1vdy n GLY 134 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vdy n SER 135 N 0.00 1.55 -3.83 1.61 7.64 -1.26 -5.19 113.62 114.14 1vdy n SER 135 Ca 0.00 -1.45 -0.07 0.00 1.01 0.00 0.00 58.87 58.35 1vdy n SER 135 Cb 0.00 0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1vdy n SER 135 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1vdy s GLY 136 N -1.54 0.00 0.00 0.23 0.00 -1.26 -5.06 107.32 99.69 1vdy s GLY 136 Ca 0.02 -0.39 0.07 0.00 0.00 0.00 0.00 44.72 44.43 1vdy s GLY 136 CO 0.02 -0.16 0.88 -1.55 0.00 0.00 0.00 173.10 172.28 1vdy n PRO 137 N -0.46 0.26 -0.34 2.90 -0.04 -1.26 -3.95 135.00 132.12 1vdy n PRO 137 Ca -0.04 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.58 1vdy n PRO 137 Cb 0.59 -1.44 0.37 0.00 -0.04 0.00 0.00 33.50 32.98 1vdy n PRO 137 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1vdy h SER 138 N 0.00 0.70 -1.78 3.54 0.87 -2.07 -3.14 113.55 111.68 1vdy h SER 138 Ca 0.00 0.11 -0.49 0.00 -1.23 0.00 0.00 61.79 60.18 1vdy h SER 138 Cb 0.00 -0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 61.59 1vdy h SER 138 CO 0.00 0.18 -1.08 -1.20 -0.53 0.00 0.00 176.83 174.20 1vdy n SER 139 N -4.80 0.14 0.00 6.23 7.64 -1.25 -5.34 113.62 116.23 1vdy n SER 139 Ca 0.25 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1vdy n SER 139 Cb 0.68 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1vdy n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64