#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 -0.39 -0.01 1.61 1.04 -1.26 -5.07 113.70 109.62 1vdy s SER 2 Ca 0.00 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.24 1vdy s SER 2 Cb 0.00 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1vdy s SER 2 CO 0.00 -0.95 0.85 -1.54 0.98 0.00 0.00 173.24 172.58 1vdy n SER 3 N -0.32 1.23 -0.51 7.02 3.41 -1.26 -5.14 113.62 118.06 1vdy n SER 3 Ca -0.15 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1vdy n SER 3 Cb 0.64 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1vdy n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vdy n GLY 4 N -0.39 -0.95 3.09 5.00 0.00 -1.26 -4.94 105.19 105.74 1vdy n GLY 4 Ca 0.02 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1vdy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdy s SER 5 N -4.00 -0.12 -1.08 1.61 0.01 -1.26 -4.96 113.70 103.90 1vdy s SER 5 Ca 0.00 0.16 -0.19 0.00 1.31 0.00 0.00 55.95 57.23 1vdy s SER 5 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1vdy s SER 5 CO 0.00 -0.19 0.74 -1.20 0.41 0.00 0.00 173.24 173.00 1vdy n SER 6 N 2.38 -5.25 0.00 2.44 7.64 -1.26 -5.02 113.62 114.55 1vdy n SER 6 Ca -0.16 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.72 1vdy n SER 6 Cb 0.57 -2.96 0.00 0.00 -1.01 0.00 0.00 64.21 60.81 1vdy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vdy n GLY 7 N -1.76 6.61 0.42 0.23 0.00 -1.26 -5.02 105.19 104.41 1vdy n GLY 7 Ca -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1vdy n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1vdy n GLU 8 N 0.00 0.86 -0.26 1.61 0.28 -1.26 -4.18 120.64 117.69 1vdy n GLU 8 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1vdy n GLU 8 Cb 0.00 -1.36 0.10 0.00 1.43 0.00 0.00 31.44 31.60 1vdy n GLU 8 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1vdy h SER 9 N 0.12 0.70 -0.47 -1.84 4.64 -1.95 -3.15 113.55 111.59 1vdy h SER 9 Ca 0.00 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1vdy h SER 9 Cb 0.36 -0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 62.23 1vdy h SER 9 CO 0.00 0.46 -0.47 0.22 -0.87 0.00 0.00 176.83 176.18 1vdy h TYR 10 N 0.83 -1.39 0.38 4.77 3.20 -1.98 0.25 116.97 123.03 1vdy h TYR 10 Ca 0.31 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1vdy h TYR 10 Cb 0.11 0.67 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1vdy h TYR 10 CO -0.05 -0.45 -0.31 2.35 -1.64 0.00 0.00 178.16 178.06 1vdy h TRP 11 N -0.31 -0.83 0.36 -3.82 -0.00 -1.89 0.13 115.95 109.58 1vdy h TRP 11 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1vdy h TRP 11 Cb 0.58 0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 30.04 1vdy h TRP 11 CO -0.68 -0.46 -0.26 0.00 -0.00 0.00 0.00 178.44 177.04 1vdy h ARG 12 N -0.70 -0.60 -0.62 2.65 3.08 -1.46 -2.89 114.38 113.84 1vdy h ARG 12 Ca -0.03 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1vdy h ARG 12 Cb 0.61 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 1vdy h ARG 12 CO -0.02 -0.40 0.36 1.03 -1.07 0.00 0.00 179.97 179.88 1vdy h SER 13 N -0.62 0.56 -1.00 7.04 0.87 -0.47 -2.52 113.55 117.41 1vdy h SER 13 Ca -0.03 0.02 0.21 0.00 -1.23 0.00 0.00 61.79 60.76 1vdy h SER 13 Cb 0.53 -0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 62.29 1vdy h SER 13 CO 0.01 0.38 0.62 0.03 -0.53 0.00 0.00 176.83 177.33 1vdy h ARG 14 N 0.69 0.61 0.06 2.24 2.47 -0.53 0.21 114.38 120.13 1vdy h ARG 14 Ca 0.27 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1vdy h ARG 14 Cb 0.10 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1vdy h ARG 14 CO -0.14 0.40 -0.03 0.52 0.56 0.00 0.00 179.97 181.28 1vdy h MET 15 N 0.62 -0.07 -0.08 0.04 2.86 -1.36 -1.97 114.93 114.96 1vdy h MET 15 Ca 0.58 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.23 1vdy h MET 15 Cb 1.09 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1vdy h MET 15 CO -0.35 0.00 0.03 0.82 1.06 0.00 0.00 176.91 178.47 1vdy h ILE 16 N -0.13 0.98 -1.00 -1.22 1.08 -1.14 -2.88 117.51 113.20 1vdy h ILE 16 Ca -0.01 -0.02 0.17 0.00 -0.39 0.00 0.00 64.86 64.61 1vdy h ILE 16 Cb 0.11 0.91 -0.10 0.00 -3.07 0.00 0.00 36.82 34.67 1vdy h ILE 16 CO 0.01 0.01 0.62 -0.78 -0.69 0.00 0.00 178.15 177.32 1vdy h ASP 17 N 0.07 0.82 0.48 1.72 3.58 -0.51 0.13 116.42 122.71 1vdy h ASP 17 Ca 0.03 0.08 -0.17 0.00 0.42 0.00 0.00 57.03 57.39 1vdy h ASP 17 Cb 0.02 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1vdy h ASP 17 CO -0.04 0.34 -0.74 0.00 -2.88 0.00 0.00 179.24 175.92 1vdy h ALA 18 N 1.62 0.69 0.00 -0.78 0.00 -1.16 -0.82 119.26 118.80 1vdy h ALA 18 Ca 0.55 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1vdy h ALA 18 Cb 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1vdy h ALA 18 CO -0.34 0.82 -0.49 1.33 0.00 0.00 0.00 179.25 180.57 1vdy n VAL 19 N -3.76 0.16 -1.06 0.00 0.24 -0.41 -4.04 118.33 109.46 1vdy n VAL 19 Ca -0.03 -0.12 0.10 0.00 -2.04 0.00 0.00 64.34 62.25 1vdy n VAL 19 Cb 0.71 -0.00 0.15 0.00 -1.47 0.00 0.00 33.84 33.23 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 -1.77 1.92 -1.69 3.34 -2.24 0.33 -4.67 114.28 109.51 1vdy n THR 20 Ca 0.05 -2.23 -0.44 0.00 -2.27 0.00 0.00 64.05 59.15 1vdy n THR 20 Cb 0.38 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1vdy n THR 20 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1vdy n SER 21 N -1.36 2.90 0.18 3.42 7.64 -0.32 -4.73 113.62 121.36 1vdy n SER 21 Ca 0.16 1.16 0.10 0.00 1.01 0.00 0.00 58.87 61.30 1vdy n SER 21 Cb 0.66 -1.46 0.54 0.00 -1.01 0.00 0.00 64.21 62.94 1vdy n SER 21 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1vdy h ASP 22 N 3.90 0.00 -3.40 6.43 2.03 -1.97 -3.43 116.42 119.98 1vdy h ASP 22 Ca -0.45 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.32 1vdy h ASP 22 Cb 1.27 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.80 1vdy h ASP 22 CO 0.73 0.00 0.62 -0.70 -1.03 0.00 0.00 179.24 178.87 1vdy s GLU 23 N -3.52 4.42 0.00 4.15 2.12 -1.26 -4.67 118.70 119.93 1vdy s GLU 23 Ca -0.02 2.00 0.01 0.00 0.36 0.00 0.00 54.97 57.32 1vdy s GLU 23 Cb 0.06 -3.21 0.05 0.00 0.26 0.00 0.00 34.13 31.28 1vdy s GLU 23 CO 0.18 -0.21 1.01 -0.40 -0.54 0.00 0.00 175.26 175.30 1vdy n ASP 24 N 2.67 0.00 -4.61 -1.70 5.75 -1.26 -4.68 116.55 112.71 1vdy n ASP 24 Ca 0.06 0.47 -0.46 0.00 -0.01 0.00 0.00 54.79 54.85 1vdy n ASP 24 Cb 0.43 -0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 40.00 1vdy n ASP 24 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1vdy n LYS 25 N -1.47 1.99 -1.75 0.11 3.00 -1.26 -4.87 118.16 113.91 1vdy n LYS 25 Ca 0.00 0.65 -0.40 0.00 -0.00 0.00 0.00 58.31 58.57 1vdy n LYS 25 Cb 0.01 -2.83 0.02 0.00 0.00 0.00 0.00 35.03 32.24 1vdy n LYS 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1vdy n VAL 26 N 6.38 3.02 -1.79 3.15 3.14 -1.26 -4.93 118.33 126.03 1vdy n VAL 26 Ca 0.28 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.74 1vdy n VAL 26 Cb 0.34 -1.75 -0.02 0.00 -1.06 0.00 0.00 33.84 31.35 1vdy n VAL 26 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vdy s ALA 27 N -1.22 3.82 1.02 1.55 0.00 -1.26 -5.01 121.76 120.66 1vdy s ALA 27 Ca 0.64 1.54 -0.03 0.00 0.00 0.00 0.00 51.96 54.11 1vdy s ALA 27 Cb -0.45 -3.66 0.04 0.00 0.00 0.00 0.00 23.12 19.06 1vdy s ALA 27 CO 0.55 -0.92 0.19 -0.35 0.00 0.00 0.00 175.76 175.24 1vdy n PRO 28 N 3.08 -0.86 -0.11 0.00 -0.04 -1.26 -5.03 135.00 130.78 1vdy n PRO 28 Ca 0.12 -0.31 -0.24 0.00 -0.04 0.00 0.00 63.50 63.03 1vdy n PRO 28 Cb 0.37 -0.25 -0.11 0.00 -0.04 0.00 0.00 33.50 33.47 1vdy n PRO 28 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1vdy n VAL 29 N -2.63 1.56 -0.33 0.52 0.31 -1.26 -4.38 118.33 112.12 1vdy n VAL 29 Ca 0.03 -0.35 0.13 0.00 -0.01 0.00 0.00 64.34 64.14 1vdy n VAL 29 Cb 0.09 -1.83 0.31 0.00 -0.91 0.00 0.00 33.84 31.50 1vdy n VAL 29 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 1vdy h TYR 30 N -0.68 0.89 -0.23 3.52 -0.00 -1.98 0.93 116.97 119.42 1vdy h TYR 30 Ca -0.53 0.04 -0.08 0.00 0.00 0.00 0.00 58.73 58.15 1vdy h TYR 30 Cb 1.63 -0.25 -0.01 0.00 0.00 0.00 0.00 36.73 38.10 1vdy h TYR 30 CO 0.01 0.12 -0.19 0.87 -0.00 0.00 0.00 178.16 178.97 1vdy h LYS 31 N 0.61 0.40 -0.40 0.10 1.79 -1.98 -2.24 116.57 114.84 1vdy h LYS 31 Ca 0.56 -0.13 -0.14 0.00 -2.18 0.00 0.00 60.65 58.77 1vdy h LYS 31 Cb 0.96 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 1vdy h LYS 31 CO -0.43 0.58 -0.30 -0.07 -1.08 0.00 0.00 179.45 178.15 1vdy h LEU 32 N 0.36 0.91 -1.68 2.94 3.38 -1.05 -3.12 115.31 117.06 1vdy h LEU 32 Ca 0.06 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1vdy h LEU 32 Cb 0.55 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1vdy h LEU 32 CO 0.04 1.14 -0.15 -0.33 0.09 0.00 0.00 178.44 179.23 1vdy h GLU 33 N 0.74 0.00 0.08 1.13 5.08 -0.79 -1.82 114.58 119.00 1vdy h GLU 33 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1vdy h GLU 33 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1vdy h GLU 33 CO 0.08 0.15 -0.04 0.93 -1.00 0.00 0.00 179.01 179.13 1vdy h GLU 34 N 0.00 -0.11 0.17 2.33 5.08 -1.38 -3.02 114.58 117.66 1vdy h GLU 34 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1vdy h GLU 34 Cb 0.46 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1vdy h GLU 34 CO 0.02 0.29 -0.14 0.82 -1.00 0.00 0.00 179.01 179.00 1vdy h ILE 35 N -0.53 0.70 -0.90 3.13 2.04 -1.52 -0.50 117.51 119.93 1vdy h ILE 35 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1vdy h ILE 35 Cb 0.45 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1vdy h ILE 35 CO 0.02 0.00 0.56 0.00 0.00 0.00 0.00 178.15 178.73 1vdy h ASP 37 N 1.02 0.45 -0.81 0.00 1.82 -1.38 -2.73 116.42 114.80 1vdy h ASP 37 Ca 0.40 -0.42 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1vdy h ASP 37 Cb 0.19 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 40.03 1vdy h ASP 37 CO -0.18 0.77 0.50 -0.07 -1.61 0.00 0.00 179.24 178.64 1vdy h LEU 38 N 0.13 0.97 -0.47 2.28 3.38 -0.67 -1.78 115.31 119.14 1vdy h LEU 38 Ca 0.05 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1vdy h LEU 38 Cb 0.60 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1vdy h LEU 38 CO 0.03 0.74 0.26 -0.07 0.09 0.00 0.00 178.44 179.49 1vdy h LEU 39 N 1.11 0.39 -1.68 1.67 3.38 -0.66 -0.47 115.31 119.04 1vdy h LEU 39 Ca 0.29 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 1vdy h LEU 39 Cb -0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1vdy h LEU 39 CO -0.06 0.28 -0.19 0.03 0.09 0.00 0.00 178.44 178.59 1vdy h ARG 40 N 0.51 0.00 -0.02 1.13 3.08 -1.10 -1.87 114.38 116.12 1vdy h ARG 40 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1vdy h ARG 40 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1vdy h ARG 40 CO -0.12 0.19 -0.03 0.45 -1.07 0.00 0.00 179.97 179.39 1vdy n SER 41 N -3.90 1.97 -4.66 7.04 2.88 -0.69 -4.96 113.62 111.30 1vdy n SER 41 Ca -0.02 -1.63 -0.23 0.00 -1.33 0.00 0.00 58.87 55.67 1vdy n SER 41 Cb 0.28 0.02 -0.07 0.00 -0.75 0.00 0.00 64.21 63.69 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1vdy s SER 42 N -2.04 4.60 0.72 -3.46 0.01 -0.27 -5.05 113.70 108.20 1vdy s SER 42 Ca 0.33 -0.66 -0.12 0.00 1.31 0.00 0.00 55.95 56.82 1vdy s SER 42 Cb 0.20 -0.84 0.02 0.00 0.21 0.00 0.00 66.02 65.62 1vdy s SER 42 CO 0.34 -0.05 1.08 -2.28 0.41 0.00 0.00 173.24 172.74 1vdy s HIS 43 N -2.34 2.80 0.38 2.43 2.46 -1.26 -4.83 115.29 114.93 1vdy s HIS 43 Ca 0.32 1.51 0.10 0.00 0.47 0.00 0.00 55.06 57.46 1vdy s HIS 43 Cb -0.06 -3.00 0.87 0.00 -0.13 0.00 0.00 32.58 30.26 1vdy s HIS 43 CO 0.20 -1.54 1.91 -0.24 -2.47 0.00 0.00 174.74 172.61 1vdy h VAL 44 N -0.70 0.88 0.00 0.89 3.04 -1.99 0.03 116.25 118.39 1vdy h VAL 44 Ca -0.44 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1vdy h VAL 44 Cb 1.23 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1vdy h VAL 44 CO 0.54 0.11 -0.00 0.28 -1.01 0.00 0.00 177.57 177.49 1vdy h SER 45 N 0.62 0.00 0.21 3.17 0.02 -1.99 0.14 113.55 115.72 1vdy h SER 45 Ca 0.38 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.04 1vdy h SER 45 Cb 0.62 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.18 1vdy h SER 45 CO -0.14 0.00 -1.28 0.40 -1.14 0.00 0.00 176.83 174.66 1vdy h ILE 46 N 0.00 1.31 -0.61 3.27 1.08 -1.36 -2.03 117.51 119.18 1vdy h ILE 46 Ca -0.00 -2.61 0.01 0.00 -0.39 0.00 0.00 64.86 61.86 1vdy h ILE 46 Cb 0.01 3.06 -0.03 0.00 -3.07 0.00 0.00 36.82 36.78 1vdy h ILE 46 CO 0.00 0.78 0.40 0.58 -0.69 0.00 0.00 178.15 179.22 1vdy h VAL 47 N -0.05 1.16 -0.05 1.67 2.07 -0.72 0.13 116.25 120.46 1vdy h VAL 47 Ca -0.23 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1vdy h VAL 47 Cb 1.97 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1vdy h VAL 47 CO 0.22 0.15 0.00 0.11 0.02 0.00 0.00 177.57 178.07 1vdy h LYS 48 N 0.82 0.08 -0.98 1.57 1.57 -0.86 -1.84 116.57 116.93 1vdy h LYS 48 Ca 0.22 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1vdy h LYS 48 Cb -0.10 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1vdy h LYS 48 CO -0.05 0.36 0.65 0.93 -0.57 0.00 0.00 179.45 180.76 1vdy h GLU 49 N -0.20 1.23 -0.60 3.15 4.39 -1.06 -0.72 114.58 120.77 1vdy h GLU 49 Ca 0.01 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.67 1vdy h GLU 49 Cb 0.32 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1vdy h GLU 49 CO 0.00 0.82 0.37 0.74 -1.16 0.00 0.00 179.01 179.78 1vdy h PHE 50 N 1.27 0.69 -0.40 4.33 0.04 -0.62 -1.81 116.94 120.45 1vdy h PHE 50 Ca 0.38 0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.21 1vdy h PHE 50 Cb -0.05 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.84 1vdy h PHE 50 CO -0.00 0.40 0.17 0.77 -0.60 0.00 0.00 178.31 179.05 1vdy h SER 51 N 0.73 0.23 -0.20 2.17 0.02 -0.31 -1.72 113.55 114.47 1vdy h SER 51 Ca 0.24 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 1vdy h SER 51 Cb 0.02 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1vdy h SER 51 CO -0.10 0.17 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.37 1vdy h GLU 52 N 0.36 -0.02 -0.33 3.45 4.39 -0.50 0.19 114.58 122.11 1vdy h GLU 52 Ca 0.17 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1vdy h GLU 52 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1vdy h GLU 52 CO -0.14 -0.01 -0.01 0.74 -1.16 0.00 0.00 179.01 178.43 1vdy h PHE 53 N -0.02 0.54 -0.31 4.33 0.04 -1.09 -1.11 116.94 119.31 1vdy h PHE 53 Ca 0.10 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 1vdy h PHE 53 Cb 0.18 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1vdy h PHE 53 CO -0.23 0.53 -0.04 0.82 -0.60 0.00 0.00 178.31 178.79 1vdy h ILE 54 N 0.50 1.27 -0.85 -0.55 2.04 -0.52 -2.97 117.51 116.43 1vdy h ILE 54 Ca 0.11 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1vdy h ILE 54 Cb 0.33 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1vdy h ILE 54 CO 0.01 0.33 0.52 -0.07 0.00 0.00 0.00 178.15 178.94 1vdy h LEU 55 N 0.36 1.01 -2.60 1.44 3.38 -0.55 -1.15 115.31 117.19 1vdy h LEU 55 Ca 0.08 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1vdy h LEU 55 Cb 0.50 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1vdy h LEU 55 CO 0.02 0.77 0.08 0.11 0.09 0.00 0.00 178.44 179.51 1vdy h LYS 56 N 1.16 0.00 -0.10 1.13 1.79 -1.06 -1.33 116.57 118.16 1vdy h LYS 56 Ca 0.30 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.59 1vdy h LYS 56 Cb -0.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1vdy h LYS 56 CO -0.06 0.00 -0.69 0.00 -1.08 0.00 0.00 179.45 177.62 1vdy h ARG 57 N 0.00 0.45 -0.04 3.15 2.47 -1.12 -3.13 114.38 116.16 1vdy h ARG 57 Ca 0.02 -0.35 0.01 0.00 -1.26 0.00 0.00 59.98 58.40 1vdy h ARG 57 Cb 0.17 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1vdy h ARG 57 CO -0.00 0.98 0.04 -0.07 0.56 0.00 0.00 179.97 181.47 1vdy h LEU 58 N 0.32 0.00 -1.35 3.04 -0.00 -1.29 -1.51 115.31 114.51 1vdy h LEU 58 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.81 1vdy h LEU 58 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 1vdy h LEU 58 CO 0.12 0.00 -0.21 -0.78 -0.00 0.00 0.00 178.44 177.57 1vdy h ASP 59 N 0.00 0.00 -3.35 -0.43 3.58 -1.61 -3.46 116.42 111.14 1vdy h ASP 59 Ca 0.02 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.91 1vdy h ASP 59 Cb 0.10 0.00 0.10 0.00 1.72 0.00 0.00 39.33 41.25 1vdy h ASP 59 CO -0.00 0.21 0.60 -3.20 -2.88 0.00 0.00 179.24 173.97 1vdy n ASN 60 N -3.48 3.04 0.21 2.28 2.85 -0.57 -4.93 115.26 114.66 1vdy n ASN 60 Ca -0.01 1.20 0.08 0.00 -0.11 0.00 0.00 54.58 55.75 1vdy n ASN 60 Cb 0.38 -1.51 0.42 0.00 1.24 0.00 0.00 39.78 40.30 1vdy n ASN 60 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1vdy h LYS 61 N 2.99 0.00 -6.64 1.20 1.63 -1.89 -3.44 116.57 110.42 1vdy h LYS 61 Ca -0.47 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 58.81 1vdy h LYS 61 Cb 1.27 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 32.94 1vdy h LYS 61 CO 0.66 0.28 0.79 0.45 -3.45 0.00 0.00 179.45 178.17 1vdy s SER 62 N -6.29 6.68 0.28 4.20 0.15 -1.26 -4.91 113.70 112.56 1vdy s SER 62 Ca 0.00 2.54 0.03 0.00 0.70 0.00 0.00 55.95 59.23 1vdy s SER 62 Cb 0.11 -2.60 0.43 0.00 -1.71 0.00 0.00 66.02 62.24 1vdy s SER 62 CO 0.65 -0.73 1.72 1.55 1.20 0.00 0.00 173.24 177.64 1vdy h PRO 63 N 6.20 0.44 0.93 5.44 0.13 -1.94 -3.22 132.00 139.97 1vdy h PRO 63 Ca -0.44 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 64.48 1vdy h PRO 63 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1vdy h PRO 63 CO 0.85 0.68 -0.49 0.82 -0.23 0.00 0.00 178.00 179.63 1vdy h ILE 64 N 0.38 0.00 -1.00 -3.56 2.04 -1.89 -2.99 117.51 110.50 1vdy h ILE 64 Ca 0.05 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.24 1vdy h ILE 64 Cb 0.69 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.62 1vdy h ILE 64 CO 0.05 0.00 0.57 0.58 0.00 0.00 0.00 178.15 179.35 1vdy h VAL 65 N -1.30 0.30 0.00 1.67 2.07 -1.82 -2.05 116.25 115.11 1vdy h VAL 65 Ca -0.13 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1vdy h VAL 65 Cb 1.02 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1vdy h VAL 65 CO 0.18 0.06 -0.04 0.11 0.02 0.00 0.00 177.57 177.90 1vdy h LYS 66 N 0.32 -0.05 -1.01 1.57 1.79 -1.55 -2.89 116.57 114.75 1vdy h LYS 66 Ca 0.73 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 59.44 1vdy h LYS 66 Cb 1.67 0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 32.22 1vdy h LYS 66 CO -0.61 -0.03 0.61 0.37 -1.08 0.00 0.00 179.45 178.71 1vdy h GLN 67 N -0.05 0.60 -0.39 3.15 -0.00 -1.44 -1.80 115.11 115.18 1vdy h GLN 67 Ca 0.00 -0.04 0.06 0.00 -0.00 0.00 0.00 58.65 58.67 1vdy h GLN 67 Cb 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 27.48 27.34 1vdy h GLN 67 CO -0.02 0.40 0.08 0.87 0.00 0.00 0.00 178.83 180.16 1vdy h LYS 68 N 0.62 0.20 -0.30 1.69 1.57 -1.34 -0.73 116.57 118.29 1vdy h LYS 68 Ca 0.62 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 59.25 1vdy h LYS 68 Cb 1.15 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1vdy h LYS 68 CO -0.42 0.14 -0.33 0.00 -0.57 0.00 0.00 179.45 178.26 1vdy h ALA 69 N 1.30 0.44 -0.18 3.86 0.00 -1.26 -2.25 119.26 121.16 1vdy h ALA 69 Ca 0.19 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1vdy h ALA 69 Cb 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1vdy h ALA 69 CO -0.25 0.50 -0.34 -0.07 0.00 0.00 0.00 179.25 179.09 1vdy h LEU 70 N 0.51 -1.08 -0.70 0.00 -0.00 -0.82 0.18 115.31 113.40 1vdy h LEU 70 Ca 0.04 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.07 1vdy h LEU 70 Cb 0.91 0.46 -0.03 0.00 -0.00 0.00 0.00 40.66 42.00 1vdy h LEU 70 CO 0.08 -0.36 0.38 -0.09 -0.00 0.00 0.00 178.44 178.45 1vdy h ARG 71 N -0.39 0.97 0.19 1.13 2.43 -1.20 -2.68 114.38 114.84 1vdy h ARG 71 Ca 0.11 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1vdy h ARG 71 Cb 0.56 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1vdy h ARG 71 CO -0.40 0.73 -0.16 1.25 -1.51 0.00 0.00 179.97 179.88 1vdy h LEU 72 N 0.96 -0.42 -0.72 3.80 7.12 -0.67 -1.04 115.31 124.34 1vdy h LEU 72 Ca 0.25 0.04 0.16 0.00 0.13 0.00 0.00 57.88 58.45 1vdy h LEU 72 Cb 0.04 0.14 -0.12 0.00 -0.53 0.00 0.00 40.66 40.18 1vdy h LEU 72 CO -0.04 -0.25 0.00 0.40 -0.13 0.00 0.00 178.44 178.42 1vdy h ILE 73 N -0.37 0.38 -0.07 4.05 2.04 -0.41 0.37 117.51 123.49 1vdy h ILE 73 Ca -0.01 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1vdy h ILE 73 Cb 0.34 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1vdy h ILE 73 CO -0.02 0.02 -0.02 0.07 0.00 0.00 0.00 178.15 178.20 1vdy h LYS 74 N 0.11 0.14 -0.75 2.37 2.10 -1.23 0.55 116.57 119.85 1vdy h LYS 74 Ca 0.39 -0.05 0.07 0.00 -2.00 0.00 0.00 60.65 59.05 1vdy h LYS 74 Cb 0.66 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.93 1vdy h LYS 74 CO -0.63 0.48 0.43 -0.92 -2.00 0.00 0.00 179.45 176.81 1vdy h TYR 75 N -0.22 0.78 -0.02 0.07 5.03 0.21 -3.03 116.97 119.80 1vdy h TYR 75 Ca 0.02 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.27 1vdy h TYR 75 Cb 0.43 -0.24 0.01 0.00 1.55 0.00 0.00 36.73 38.48 1vdy h TYR 75 CO 0.06 0.36 -0.33 0.00 -1.32 0.00 0.00 178.16 176.93 1vdy h ALA 76 N 1.39 0.07 -2.63 1.82 0.00 -0.36 -3.43 119.26 116.11 1vdy h ALA 76 Ca 0.34 -0.48 -0.52 0.00 0.00 0.00 0.00 54.91 54.25 1vdy h ALA 76 Cb 0.24 0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.17 1vdy h ALA 76 CO -0.20 0.15 0.40 0.54 0.00 0.00 0.00 179.25 180.14 1vdy s VAL 77 N -3.30 2.70 0.00 0.00 0.11 0.18 -1.29 120.40 118.80 1vdy s VAL 77 Ca -0.15 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1vdy s VAL 77 Cb 0.02 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 31.93 1vdy s VAL 77 CO 0.76 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 1vdy n GLY 78 N 0.11 2.84 0.02 6.54 0.00 -1.26 -4.64 105.19 108.80 1vdy n GLY 78 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.98 0.00 0.23 1.61 2.85 -1.13 -4.84 118.16 114.90 1vdy n LYS 79 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 1vdy n LYS 79 Cb 0.00 -0.88 -0.10 0.00 -0.65 0.00 0.00 35.03 33.40 1vdy n LYS 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vdy h SER 80 N 0.00 -1.41 0.00 -5.58 4.64 -1.46 -3.48 113.55 106.26 1vdy h SER 80 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1vdy h SER 80 Cb 0.78 0.48 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1vdy h SER 80 CO 0.00 -0.61 0.00 0.61 -0.87 0.00 0.00 176.83 175.96 1vdy n GLY 81 N -1.52 1.12 0.26 -0.77 0.00 -1.26 -4.49 105.19 98.52 1vdy n GLY 81 Ca -0.10 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 44.95 1vdy n GLY 81 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vdy h SER 82 N 0.00 0.27 0.51 1.61 0.02 -1.96 -3.06 113.55 110.95 1vdy h SER 82 Ca 0.00 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1vdy h SER 82 Cb 0.00 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1vdy h SER 82 CO 0.00 0.36 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.44 1vdy h GLU 83 N 0.29 -0.72 -0.86 3.45 4.39 -1.99 -0.99 114.58 118.14 1vdy h GLU 83 Ca 0.06 0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.97 1vdy h GLU 83 Cb 0.27 0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 1vdy h GLU 83 CO 0.01 -0.48 0.56 0.35 -1.16 0.00 0.00 179.01 178.29 1vdy h PHE 84 N -0.75 0.70 0.61 4.33 3.57 -1.88 0.40 116.94 123.92 1vdy h PHE 84 Ca -0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1vdy h PHE 84 Cb 0.60 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.13 1vdy h PHE 84 CO -0.07 0.25 -0.29 -0.09 -2.23 0.00 0.00 178.31 175.87 1vdy h ARG 85 N 0.58 -0.79 -0.48 1.11 2.43 -1.32 -1.48 114.38 114.43 1vdy h ARG 85 Ca 0.43 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.65 1vdy h ARG 85 Cb 0.82 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1vdy h ARG 85 CO -0.18 -0.48 0.26 0.00 -1.51 0.00 0.00 179.97 178.06 1vdy h ARG 86 N -0.95 0.67 -0.88 0.20 2.47 -0.05 -2.90 114.38 112.94 1vdy h ARG 86 Ca -0.08 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1vdy h ARG 86 Cb 0.67 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.81 1vdy h ARG 86 CO 0.14 0.53 0.55 1.49 0.56 0.00 0.00 179.97 183.24 1vdy h GLU 87 N 0.64 1.19 -0.45 0.04 4.57 -1.01 -2.30 114.58 117.26 1vdy h GLU 87 Ca 0.17 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1vdy h GLU 87 Cb 0.05 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 1vdy h GLU 87 CO -0.03 0.82 0.24 0.52 -1.18 0.00 0.00 179.01 179.38 1vdy h MET 88 N 1.21 0.47 -0.17 1.92 2.86 -1.07 -2.75 114.93 117.39 1vdy h MET 88 Ca 0.32 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.98 1vdy h MET 88 Cb -0.08 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.42 1vdy h MET 88 CO -0.06 0.31 -0.21 1.96 1.06 0.00 0.00 176.91 179.97 1vdy h GLN 89 N 0.48 -0.23 -0.60 1.72 4.20 -1.28 0.14 115.11 119.53 1vdy h GLN 89 Ca 0.19 0.02 0.18 0.00 0.06 0.00 0.00 58.65 59.09 1vdy h GLN 89 Cb 0.06 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1vdy h GLN 89 CO -0.11 -0.15 0.45 0.00 -0.67 0.00 0.00 178.83 178.34 1vdy h ARG 90 N -0.24 0.00 -0.08 1.46 -0.00 -1.31 -1.69 114.38 112.51 1vdy h ARG 90 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.59 1vdy h ARG 90 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.38 1vdy h ARG 90 CO -0.31 0.00 0.00 0.09 0.00 0.00 0.00 179.97 179.75 1vdy n ASN 91 N -4.30 2.03 0.05 7.04 3.02 -0.91 -4.77 115.26 117.42 1vdy n ASN 91 Ca 0.12 -1.79 0.03 0.00 -0.03 0.00 0.00 54.58 52.90 1vdy n ASN 91 Cb 0.69 -0.05 0.16 0.00 -0.61 0.00 0.00 39.78 39.96 1vdy n ASN 91 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1vdy n SER 92 N -0.11 0.15 0.16 6.41 3.41 0.45 -2.50 113.62 121.59 1vdy n SER 92 Ca 0.03 0.48 0.18 0.00 -0.26 0.00 0.00 58.87 59.30 1vdy n SER 92 Cb 0.25 -0.48 0.79 0.00 -0.26 0.00 0.00 64.21 64.50 1vdy n SER 92 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1vdy h VAL 93 N 0.00 0.50 0.74 -3.33 3.04 -1.86 -0.50 116.25 114.84 1vdy h VAL 93 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1vdy h VAL 93 Cb 0.24 0.79 0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1vdy h VAL 93 CO 0.00 0.00 -0.36 0.00 -1.01 0.00 0.00 177.57 176.20 1vdy h ALA 94 N 1.71 -1.00 -0.61 3.17 0.00 -1.89 -0.79 119.26 119.84 1vdy h ALA 94 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1vdy h ALA 94 Cb 0.67 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1vdy h ALA 94 CO -0.00 -1.02 0.29 0.28 0.00 0.00 0.00 179.25 178.80 1vdy h VAL 95 N -1.07 1.22 -0.62 0.00 2.07 -1.53 -2.80 116.25 113.52 1vdy h VAL 95 Ca -0.10 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 66.88 1vdy h VAL 95 Cb 0.78 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1vdy h VAL 95 CO 0.17 0.25 0.41 0.03 0.02 0.00 0.00 177.57 178.45 1vdy h ARG 96 N 0.84 0.55 0.00 1.57 3.08 -1.02 -0.66 114.38 118.74 1vdy h ARG 96 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1vdy h ARG 96 Cb 0.12 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1vdy h ARG 96 CO -0.03 0.36 0.00 0.27 -1.07 0.00 0.00 179.97 179.51 1vdy n ASN 97 N -4.48 0.46 -0.02 7.04 0.23 -0.31 -3.21 115.26 114.97 1vdy n ASN 97 Ca 0.09 0.56 0.14 0.00 -0.53 0.00 0.00 54.58 54.84 1vdy n ASN 97 Cb 0.27 -0.68 0.53 0.00 -2.08 0.00 0.00 39.78 37.82 1vdy n ASN 97 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1vdy n LEU 98 N -1.95 0.20 0.29 -4.53 4.77 -0.25 -3.94 117.00 111.58 1vdy n LEU 98 Ca 0.05 0.28 0.18 0.00 -0.03 0.00 0.00 56.01 56.49 1vdy n LEU 98 Cb 0.34 -0.37 0.95 0.00 -2.33 0.00 0.00 43.42 42.01 1vdy n LEU 98 CO 0.25 0.05 1.16 -0.26 -1.33 0.00 0.00 177.39 177.26 1vdy h PHE 99 N 0.09 0.00 0.00 -1.77 0.04 -1.62 -1.47 116.94 112.21 1vdy h PHE 99 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1vdy h PHE 99 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1vdy h PHE 99 CO 0.00 0.00 -0.01 -2.39 -0.60 0.00 0.00 178.31 175.31 1vdy n HIS 100 N -3.31 0.00 -1.82 -0.55 1.44 -1.25 -5.02 115.22 104.71 1vdy n HIS 100 Ca -0.01 -0.38 -0.41 0.00 -2.01 0.00 0.00 57.72 54.91 1vdy n HIS 100 Cb 0.26 -0.04 -0.00 0.00 0.12 0.00 0.00 29.99 30.32 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 -0.82 2.61 0.00 -1.40 5.04 -0.55 -4.90 117.35 117.32 1vdy s TYR 101 Ca 0.02 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 1vdy s TYR 101 Cb 0.02 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1vdy s TYR 101 CO 0.00 -2.95 0.00 0.36 -1.34 0.00 0.00 175.55 171.62 1vdy n LYS 102 N 0.50 2.80 0.00 4.97 0.00 -1.26 -4.80 118.16 120.37 1vdy n LYS 102 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1vdy n LYS 102 Cb 0.39 -0.73 0.00 0.00 -0.00 0.00 0.00 35.03 34.70 1vdy n LYS 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vdy n GLY 103 N 1.29 3.00 3.15 2.58 0.00 -1.26 -4.61 105.19 109.35 1vdy n GLY 103 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 1.31 0.03 1.61 0.09 -1.26 -5.12 115.29 111.95 1vdy s HIS 104 Ca 0.00 -0.34 -0.30 0.00 -0.00 0.00 0.00 55.06 54.42 1vdy s HIS 104 Cb 0.00 -0.79 -0.06 0.00 -0.00 0.00 0.00 32.58 31.73 1vdy s HIS 104 CO 0.00 0.04 1.40 -1.25 -0.00 0.00 0.00 174.74 174.93 1vdy s PRO 105 N -1.04 4.29 0.64 8.40 0.04 -1.26 -4.88 135.00 141.20 1vdy s PRO 105 Ca 0.03 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1vdy s PRO 105 Cb -0.08 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 1vdy s PRO 105 CO 0.01 -0.54 1.24 -0.51 0.04 0.00 0.00 177.00 177.24 1vdy s ASP 106 N 1.73 4.79 0.00 6.66 1.11 -0.77 -4.76 116.67 125.43 1vdy s ASP 106 Ca 0.64 2.48 0.08 0.00 0.18 0.00 0.00 52.55 55.93 1vdy s ASP 106 Cb -0.33 -2.61 0.46 0.00 1.07 0.00 0.00 42.92 41.51 1vdy s ASP 106 CO 0.28 -1.87 1.00 -0.81 1.18 0.00 0.00 175.17 174.95 1vdy n PRO 107 N -1.90 0.64 0.00 8.23 -0.04 -1.26 -1.58 135.00 139.09 1vdy n PRO 107 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1vdy n PRO 107 Cb 0.49 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1vdy n PRO 107 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1vdy n LEU 108 N -0.69 0.00 -0.99 1.53 -0.00 -1.26 -4.93 117.00 110.66 1vdy n LEU 108 Ca 0.06 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.18 1vdy n LEU 108 Cb 0.03 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 43.70 1vdy n LEU 108 CO 0.04 -0.38 0.72 0.29 -0.00 0.00 0.00 177.39 178.06 1vdy n LYS 109 N -2.14 2.30 0.00 1.47 5.02 -1.25 -5.05 118.16 118.50 1vdy n LYS 109 Ca 0.00 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.33 1vdy n LYS 109 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1vdy n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vdy n GLY 110 N 1.40 3.84 0.03 0.72 0.00 -0.61 -2.42 105.19 108.14 1vdy n GLY 110 Ca 0.18 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 6.75 0.02 -0.06 1.61 5.75 -1.26 -1.85 116.55 127.51 1vdy n ASP 111 Ca 0.00 -0.70 -0.03 0.00 -0.01 0.00 0.00 54.79 54.05 1vdy n ASP 111 Cb 0.00 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.07 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vdy h ALA 112 N 1.68 0.00 -0.25 2.12 0.00 -1.89 -3.09 119.26 117.83 1vdy h ALA 112 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1vdy h ALA 112 Cb 0.01 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1vdy h ALA 112 CO 0.00 0.34 -0.25 -0.07 0.00 0.00 0.00 179.25 179.26 1vdy h LEU 113 N -0.99 -0.82 -2.12 0.00 -0.00 -1.83 -1.29 115.31 108.27 1vdy h LEU 113 Ca 0.00 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 58.01 1vdy h LEU 113 Cb 0.34 0.38 -0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1vdy h LEU 113 CO 0.00 -0.29 -0.08 -0.55 -0.00 0.00 0.00 178.44 177.53 1vdy h ASN 114 N -0.26 0.00 -0.11 -0.43 7.08 -1.80 -2.68 115.58 117.38 1vdy h ASN 114 Ca 0.14 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.30 1vdy h ASN 114 Cb 0.47 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.71 1vdy h ASN 114 CO -0.40 0.08 -0.16 0.50 -2.08 0.00 0.00 177.43 175.37 1vdy h LYS 115 N 0.00 0.31 -0.16 4.14 3.11 -1.15 -3.16 116.57 119.66 1vdy h LYS 115 Ca -0.00 -0.18 0.05 0.00 -2.81 0.00 0.00 60.65 57.71 1vdy h LYS 115 Cb 0.22 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1vdy h LYS 115 CO 0.01 0.75 0.17 0.00 -2.81 0.00 0.00 179.45 177.57 1vdy h ALA 116 N 0.56 1.78 0.35 5.00 0.00 -1.22 -2.10 119.26 123.63 1vdy h ALA 116 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vdy h ALA 116 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1vdy h ALA 116 CO 0.04 -0.25 -0.17 0.28 0.00 0.00 0.00 179.25 179.14 1vdy h VAL 117 N 0.00 0.00 -0.99 0.00 2.07 -1.59 -2.49 116.25 113.25 1vdy h VAL 117 Ca 0.07 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1vdy h VAL 117 Cb 0.42 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.12 1vdy h VAL 117 CO -0.00 0.00 0.64 0.08 0.02 0.00 0.00 177.57 178.31 1vdy h ARG 118 N -0.51 1.15 -0.42 1.57 -0.00 -1.59 -0.85 114.38 113.74 1vdy h ARG 118 Ca -0.05 -0.07 -0.04 0.00 -0.00 0.00 0.00 59.98 59.82 1vdy h ARG 118 Cb 0.36 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.97 30.05 1vdy h ARG 118 CO 0.08 0.76 0.08 0.93 -0.00 0.00 0.00 179.97 181.82 1vdy h GLU 119 N 1.18 0.63 0.10 0.08 5.08 -1.42 -2.26 114.58 117.97 1vdy h GLU 119 Ca 0.42 -0.12 -0.26 0.00 -1.00 0.00 0.00 59.36 58.40 1vdy h GLU 119 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1vdy h GLU 119 CO -0.16 0.59 -1.20 1.15 -1.00 0.00 0.00 179.01 178.39 1vdy h THR 120 N 0.61 1.53 -1.16 1.13 2.02 -0.92 -3.31 112.91 112.81 1vdy h THR 120 Ca 0.14 -3.14 0.33 0.00 0.77 0.00 0.00 66.41 64.51 1vdy h THR 120 Cb 0.26 2.91 -0.07 0.00 -1.74 0.00 0.00 68.15 69.51 1vdy h THR 120 CO -0.00 0.91 0.80 0.00 0.37 0.00 0.00 175.52 177.60 1vdy h ALA 121 N 0.68 2.82 0.72 6.16 0.00 -0.55 -0.98 119.26 128.12 1vdy h ALA 121 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1vdy h ALA 121 Cb 1.93 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.80 1vdy h ALA 121 CO 0.18 -1.20 -0.35 0.45 0.00 0.00 0.00 179.25 178.33 1vdy h HIS 122 N 0.14 -0.90 -0.72 0.00 -0.00 -1.64 -1.83 115.15 110.20 1vdy h HIS 122 Ca 0.60 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.94 1vdy h HIS 122 Cb 2.07 0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 29.74 1vdy h HIS 122 CO -0.00 -0.53 0.43 0.93 -0.00 0.00 0.00 177.93 178.75 1vdy h GLU 123 N -1.12 0.98 0.25 2.45 4.39 -1.41 -1.83 114.58 118.29 1vdy h GLU 123 Ca -0.10 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1vdy h GLU 123 Cb 0.77 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1vdy h GLU 123 CO 0.16 0.69 -0.17 1.15 -1.16 0.00 0.00 179.01 179.68 1vdy h THR 124 N 1.00 0.63 -0.97 1.13 2.02 -1.20 -1.28 112.91 114.24 1vdy h THR 124 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1vdy h THR 124 Cb -0.03 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1vdy h THR 124 CO -0.05 0.00 0.62 0.40 0.37 0.00 0.00 175.52 176.86 1vdy h ILE 125 N -0.42 1.26 -0.89 3.11 1.08 -1.05 -1.39 117.51 119.20 1vdy h ILE 125 Ca -0.02 -0.50 0.10 0.00 -0.39 0.00 0.00 64.86 64.05 1vdy h ILE 125 Cb 0.36 -0.15 -0.08 0.00 -3.07 0.00 0.00 36.82 33.88 1vdy h ILE 125 CO 0.01 0.25 0.53 -1.28 -0.69 0.00 0.00 178.15 176.97 1vdy h SER 126 N 1.32 0.77 0.24 1.72 0.87 -0.88 -0.60 113.55 116.99 1vdy h SER 126 Ca 0.35 0.05 -0.28 0.00 -1.23 0.00 0.00 61.79 60.68 1vdy h SER 126 Cb -0.12 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1vdy h SER 126 CO -0.07 0.43 -1.17 0.00 -0.53 0.00 0.00 176.83 175.49 1vdy h ALA 127 N 1.48 0.10 -0.11 6.23 0.00 -0.66 -1.92 119.26 124.37 1vdy h ALA 127 Ca 0.43 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1vdy h ALA 127 Cb 0.39 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vdy h ALA 127 CO -0.25 0.76 0.03 0.82 0.00 0.00 0.00 179.25 180.61 1vdy h ILE 128 N 0.25 1.18 -0.16 0.00 2.04 -0.75 -3.18 117.51 116.90 1vdy h ILE 128 Ca -0.15 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1vdy h ILE 128 Cb 1.84 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1vdy h ILE 128 CO 0.22 0.16 0.00 0.49 0.00 0.00 0.00 178.15 179.02 1vdy n PHE 129 N -4.88 0.19 -1.38 1.37 3.72 -0.28 -4.92 117.46 111.28 1vdy n PHE 129 Ca -0.06 -0.10 -0.53 0.00 -0.05 0.00 0.00 57.45 56.71 1vdy n PHE 129 Cb 0.14 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.40 1.62 -3.77 4.37 2.88 -0.72 -4.93 113.62 113.47 1vdy n SER 130 Ca 0.17 0.49 -0.15 0.00 -1.33 0.00 0.00 58.87 58.05 1vdy n SER 130 Cb 0.36 -1.14 -0.16 0.00 -0.75 0.00 0.00 64.21 62.53 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 6.23 -0.01 -1.50 -1.46 -1.05 -1.26 -4.79 118.70 114.86 1vdy s GLU 131 Ca 1.14 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 56.18 1vdy s GLU 131 Cb -1.08 -0.22 0.00 0.00 -0.44 0.00 0.00 34.13 32.39 1vdy s GLU 131 CO 0.54 -0.16 0.00 0.39 0.95 0.00 0.00 175.26 176.98 1vdy n GLU 132 N 4.14 -1.56 -3.78 -4.83 1.02 -1.26 -4.92 120.64 109.47 1vdy n GLU 132 Ca -0.27 0.94 -0.16 0.00 -0.02 0.00 0.00 57.16 57.65 1vdy n GLU 132 Cb 0.51 -5.27 -0.16 0.00 -0.02 0.00 0.00 31.44 26.49 1vdy n GLU 132 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1vdy s ASN 133 N -2.39 0.23 -0.24 1.62 2.47 -1.26 -5.06 114.94 110.31 1vdy s ASN 133 Ca 0.00 0.04 0.10 0.00 0.42 0.00 0.00 52.86 53.42 1vdy s ASN 133 Cb 0.00 -0.09 0.44 0.00 -1.45 0.00 0.00 41.25 40.15 1vdy s ASN 133 CO 0.00 -0.14 1.27 0.61 -3.72 0.00 0.00 177.10 175.12 1vdy n GLY 134 N 4.31 5.26 3.68 1.21 0.00 -1.26 -4.85 105.19 113.54 1vdy n GLY 134 Ca -0.25 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1vdy n GLY 134 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vdy n SER 135 N -1.07 2.12 -2.94 1.61 3.41 -1.26 -4.97 113.62 110.52 1vdy n SER 135 Ca 0.25 1.06 0.02 0.00 -0.26 0.00 0.00 58.87 59.94 1vdy n SER 135 Cb 0.78 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1vdy n SER 135 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1vdy s GLY 136 N -0.66 -1.42 0.00 5.00 0.00 -1.26 -5.04 107.32 103.94 1vdy s GLY 136 Ca 0.63 0.98 0.21 0.00 0.00 0.00 0.00 44.72 46.55 1vdy s GLY 136 CO 0.56 4.08 1.68 -1.55 0.00 0.00 0.00 173.10 177.87 1vdy n PRO 137 N 4.05 0.35 -1.36 2.90 -0.04 -1.26 -4.90 135.00 134.74 1vdy n PRO 137 Ca 0.07 0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 1vdy n PRO 137 Cb 0.61 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.67 1vdy n PRO 137 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1vdy s SER 138 N -2.50 3.99 0.17 3.54 0.01 -1.26 -5.05 113.70 112.59 1vdy s SER 138 Ca 0.22 2.45 -0.16 0.00 1.31 0.00 0.00 55.95 59.76 1vdy s SER 138 Cb 0.14 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.80 1vdy s SER 138 CO 0.32 -2.40 0.46 -0.94 0.41 0.00 0.00 173.24 171.08 1vdy s SER 139 N -1.89 -0.23 0.00 2.44 1.04 -1.26 -5.28 113.70 108.51 1vdy s SER 139 Ca 0.76 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1vdy s SER 139 Cb -0.32 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1vdy s SER 139 CO 0.46 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.32