#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwe s ARG 12 N 0.00 0.20 -0.02 2.61 0.52 -1.26 -5.15 118.95 115.85 2vwe s ARG 12 Ca 0.00 0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.47 2vwe s ARG 12 Cb 0.00 0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.56 2vwe s ARG 12 CO 0.00 -0.03 -0.03 0.15 0.02 0.00 0.00 175.30 175.40 2vwe s LYS 13 N 0.16 0.44 -0.29 3.54 -0.14 -1.26 -5.13 119.74 117.05 2vwe s LYS 13 Ca -0.01 -0.09 -0.08 0.00 -1.36 0.00 0.00 55.97 54.43 2vwe s LYS 13 Cb -0.02 -0.48 -0.01 0.00 -1.68 0.00 0.00 37.83 35.65 2vwe s LYS 13 CO -0.00 0.01 0.11 0.08 -0.76 0.00 0.00 175.35 174.79 2vwe s VAL 14 N 0.35 4.36 -0.19 3.17 1.01 -1.26 -5.07 120.40 122.78 2vwe s VAL 14 Ca -0.04 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 2vwe s VAL 14 Cb -0.07 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 2vwe s VAL 14 CO -0.00 0.13 1.16 -0.69 0.00 0.00 0.00 175.10 175.70 2vwe s VAL 15 N 1.58 4.46 0.43 2.92 1.01 -1.26 -4.99 120.40 124.54 2vwe s VAL 15 Ca 0.04 1.76 -0.26 0.00 0.00 0.00 0.00 61.98 63.52 2vwe s VAL 15 Cb -0.17 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 2vwe s VAL 15 CO 0.05 -0.15 1.41 -0.55 0.00 0.00 0.00 175.10 175.86 2vwe s SER 16 N 1.63 6.05 0.44 3.32 0.15 -1.26 -4.80 113.70 119.24 2vwe s SER 16 Ca 0.50 2.89 0.14 0.00 0.70 0.00 0.00 55.95 60.18 2vwe s SER 16 Cb -0.19 -2.65 1.05 0.00 -1.71 0.00 0.00 66.02 62.52 2vwe s SER 16 CO 0.11 -1.05 2.00 -0.25 1.20 0.00 0.00 173.24 175.25 2vwe h TRP 17 N 2.53 0.39 -0.32 3.44 7.01 -1.98 0.75 115.95 127.77 2vwe h TRP 17 Ca -0.51 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.48 2vwe h TRP 17 Cb 1.26 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.18 2vwe h TRP 17 CO 0.51 0.19 0.09 0.82 -2.79 0.00 0.00 178.44 177.26 2vwe h ILE 18 N 0.37 1.21 0.00 2.65 2.04 -1.99 -1.02 117.51 120.77 2vwe h ILE 18 Ca 0.24 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 2vwe h ILE 18 Cb 0.47 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2vwe h ILE 18 CO -0.06 0.23 -0.12 0.44 0.00 0.00 0.00 178.15 178.64 2vwe h ASP 19 N 0.36 0.00 0.16 1.72 3.32 -1.46 -1.95 116.42 118.57 2vwe h ASP 19 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2vwe h ASP 19 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2vwe h ASP 19 CO -0.00 0.12 -0.08 0.58 -1.72 0.00 0.00 179.24 178.15 2vwe h VAL 20 N 0.00 0.88 0.00 -1.35 2.07 -0.44 -3.36 116.25 114.05 2vwe h VAL 20 Ca -0.00 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 2vwe h VAL 20 Cb 0.37 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2vwe h VAL 20 CO 0.02 0.22 -0.22 0.10 0.02 0.00 0.00 177.57 177.71 2vwe h TYR 21 N -0.84 0.00 -0.54 1.57 -0.00 -1.12 -2.93 116.97 113.11 2vwe h TYR 21 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.69 2vwe h TYR 21 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.23 2vwe h TYR 21 CO 0.08 0.22 0.29 1.15 -0.00 0.00 0.00 178.16 179.90 2vwe h THR 22 N 0.00 1.19 0.00 -0.90 2.02 -1.50 -0.50 112.91 113.21 2vwe h THR 22 Ca -0.00 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2vwe h THR 22 Cb 1.05 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2vwe h THR 22 CO 0.03 0.20 -0.45 0.54 0.37 0.00 0.00 175.52 176.21 2vwe n ARG 23 N -4.61 0.22 0.12 6.66 5.12 -1.24 -3.88 116.66 119.05 2vwe n ARG 23 Ca 0.03 0.09 0.09 0.00 -1.93 0.00 0.00 57.85 56.13 2vwe n ARG 23 Cb 0.09 -1.67 0.02 0.00 -1.16 0.00 0.00 32.46 29.75 2vwe n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2vwe h ALA 24 N 2.62 0.63 -2.43 7.54 0.00 -1.25 -3.48 119.26 122.90 2vwe h ALA 24 Ca 0.00 -0.18 -0.52 0.00 0.00 0.00 0.00 54.91 54.21 2vwe h ALA 24 Cb 0.69 0.04 0.15 0.00 0.00 0.00 0.00 17.79 18.67 2vwe h ALA 24 CO 0.00 0.20 0.32 0.99 0.00 0.00 0.00 179.25 180.76 2vwe s THR 25 N -3.23 2.70 -0.51 0.00 2.01 -0.24 -1.69 115.64 114.68 2vwe s THR 25 Ca 0.01 0.27 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 2vwe s THR 25 Cb 0.08 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 2vwe s THR 25 CO 0.77 -0.25 1.89 0.00 -0.69 0.00 0.00 174.62 176.33 2vwe s GLN 27 N 6.68 1.32 0.10 0.00 -2.07 -1.11 -4.75 119.66 119.84 2vwe s GLN 27 Ca 0.74 -1.43 -0.31 0.00 -1.82 0.00 0.00 55.36 52.54 2vwe s GLN 27 Cb -0.16 0.36 -0.08 0.00 -1.09 0.00 0.00 33.01 32.03 2vwe s GLN 27 CO 0.25 -0.49 1.53 -2.14 -1.32 0.00 0.00 175.29 173.13 2vwe s PRO 28 N -4.08 4.24 0.05 9.60 0.02 -1.26 -2.70 135.00 140.87 2vwe s PRO 28 Ca 0.30 2.24 -0.05 0.00 0.02 0.00 0.00 61.00 63.50 2vwe s PRO 28 Cb 0.04 -3.36 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 2vwe s PRO 28 CO 0.09 -0.60 0.09 -0.98 -0.33 0.00 0.00 177.00 175.27 2vwe s ARG 29 N 1.75 0.63 -0.09 5.54 1.70 0.38 -4.87 118.95 123.98 2vwe s ARG 29 Ca 0.69 -0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 54.81 2vwe s ARG 29 Cb -0.39 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.19 2vwe s ARG 29 CO 0.31 -0.16 1.44 -2.00 -1.08 0.00 0.00 175.30 173.81 2vwe s GLU 30 N -2.96 4.22 -0.05 3.89 2.12 -1.26 -0.13 118.70 124.54 2vwe s GLU 30 Ca -0.02 1.93 0.02 0.00 0.36 0.00 0.00 54.97 57.26 2vwe s GLU 30 Cb 0.01 -3.81 0.01 0.00 0.26 0.00 0.00 34.13 30.60 2vwe s GLU 30 CO -0.06 -0.73 -0.12 0.08 -0.54 0.00 0.00 175.26 173.89 2vwe s VAL 31 N 3.48 1.05 -0.02 3.70 1.01 -0.80 -4.95 120.40 123.87 2vwe s VAL 31 Ca 0.64 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2vwe s VAL 31 Cb -0.28 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2vwe s VAL 31 CO 0.23 0.33 1.24 0.68 0.00 0.00 0.00 175.10 177.58 2vwe s VAL 32 N 0.52 4.10 -0.24 2.92 -7.23 -1.26 -2.43 120.40 116.78 2vwe s VAL 32 Ca -0.11 1.46 0.02 0.00 -1.81 0.00 0.00 61.98 61.53 2vwe s VAL 32 Cb -0.14 -3.94 0.04 0.00 0.56 0.00 0.00 36.38 32.91 2vwe s VAL 32 CO 0.03 0.02 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.02 2vwe s VAL 33 N 2.05 2.29 0.08 1.32 1.01 0.10 -4.98 120.40 122.27 2vwe s VAL 33 Ca 0.58 -1.35 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 2vwe s VAL 33 Cb -0.27 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 2vwe s VAL 33 CO 0.24 0.15 1.43 -2.84 0.00 0.00 0.00 175.10 174.09 2vwe s PRO 34 N 1.19 4.29 -0.29 2.72 0.02 -1.26 -1.47 135.00 140.20 2vwe s PRO 34 Ca -0.04 2.09 -0.24 0.00 0.02 0.00 0.00 61.00 62.84 2vwe s PRO 34 Cb -0.18 -3.37 -0.00 0.00 0.02 0.00 0.00 34.50 30.97 2vwe s PRO 34 CO -0.07 -0.52 0.80 -0.51 -0.33 0.00 0.00 177.00 176.37 2vwe s LEU 35 N 1.64 4.08 0.33 -5.54 1.43 -0.22 -4.97 118.68 115.43 2vwe s LEU 35 Ca 0.66 0.77 0.10 0.00 -1.03 0.00 0.00 54.13 54.62 2vwe s LEU 35 Cb -0.36 -3.10 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 2vwe s LEU 35 CO 0.29 -0.58 -0.09 0.42 0.23 0.00 0.00 176.35 176.62 2vwe s THR 36 N 2.92 2.37 -0.24 5.49 -4.23 -1.26 -4.87 115.64 115.82 2vwe s THR 36 Ca 0.33 -2.19 0.28 0.00 -1.18 0.00 0.00 61.69 58.93 2vwe s THR 36 Cb -0.14 -2.63 0.32 0.00 1.34 0.00 0.00 72.50 71.39 2vwe s THR 36 CO 0.11 -0.23 1.83 -0.37 -0.54 0.00 0.00 174.62 175.42 2vwe h VAL 37 N 2.02 0.00 0.16 2.29 -1.51 -1.96 -2.65 116.25 114.60 2vwe h VAL 37 Ca -0.42 -0.39 -0.36 0.00 -1.23 0.00 0.00 66.70 64.30 2vwe h VAL 37 Cb 1.25 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 31.68 2vwe h VAL 37 CO 0.68 0.00 -1.86 -0.33 -1.23 0.00 0.00 177.57 174.83 2vwe h GLU 38 N 0.00 0.34 0.08 5.19 5.08 -1.96 -3.08 114.58 120.24 2vwe h GLU 38 Ca 0.00 -0.59 -0.29 0.00 -1.00 0.00 0.00 59.36 57.48 2vwe h GLU 38 Cb 0.47 0.22 0.03 0.00 0.50 0.00 0.00 28.75 29.97 2vwe h GLU 38 CO 0.00 1.28 -1.18 1.25 -1.00 0.00 0.00 179.01 179.36 2vwe h LEU 39 N 0.09 0.89 -1.49 1.33 5.85 -1.94 -3.40 115.31 116.64 2vwe h LEU 39 Ca -0.38 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.56 2vwe h LEU 39 Cb 2.07 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.83 2vwe h LEU 39 CO 0.14 1.58 0.00 1.15 -0.34 0.00 0.00 178.44 180.98 2vwe n MET 40 N -3.81 0.82 0.00 1.25 0.00 -1.01 -5.01 117.12 109.37 2vwe n MET 40 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 57.70 56.83 2vwe n MET 40 Cb 0.95 -0.66 0.00 0.00 0.00 0.00 0.00 33.22 33.51 2vwe n MET 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2vwe n GLY 41 N -0.14 -2.42 3.13 3.17 0.00 -1.16 -4.94 105.19 102.83 2vwe n GLY 41 Ca 0.00 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 2vwe n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vwe s THR 42 N -0.44 1.93 0.00 2.61 -4.23 -1.26 -4.47 115.64 109.78 2vwe s THR 42 Ca 0.00 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2vwe s THR 42 Cb 0.00 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.11 2vwe s THR 42 CO 0.00 0.52 0.00 0.52 -0.54 0.00 0.00 174.62 175.12 2vwe n VAL 43 N 4.26 0.00 -4.17 2.29 0.31 -1.26 -5.10 118.33 114.67 2vwe n VAL 43 Ca -0.20 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 63.97 2vwe n VAL 43 Cb 0.51 -0.47 -0.06 0.00 -0.91 0.00 0.00 33.84 32.91 2vwe n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vwe n ALA 44 N -1.68 0.27 -0.09 3.52 0.00 -1.26 -4.94 120.51 116.33 2vwe n ALA 44 Ca 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 53.44 51.61 2vwe n ALA 44 Cb 0.31 1.38 -0.04 0.00 0.00 0.00 0.00 19.45 21.09 2vwe n ALA 44 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2vwe h LYS 45 N 0.00 0.63 -2.36 0.00 1.57 -1.99 -3.46 116.57 110.97 2vwe h LYS 45 Ca -0.23 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.16 2vwe h LYS 45 Cb 1.12 -0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.22 2vwe h LYS 45 CO 0.33 0.90 -0.02 -1.14 -0.57 0.00 0.00 179.45 178.96 2vwe s GLN 46 N -4.47 0.77 0.13 3.15 0.74 -1.26 -5.09 119.66 113.63 2vwe s GLN 46 Ca -0.13 0.52 0.05 0.00 0.05 0.00 0.00 55.36 55.85 2vwe s GLN 46 Cb 0.08 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.52 2vwe s GLN 46 CO 0.81 -0.16 0.05 -0.51 -0.55 0.00 0.00 175.29 174.93 2vwe s LEU 47 N -0.32 3.58 -0.09 3.68 1.43 -1.26 -3.20 118.68 122.50 2vwe s LEU 47 Ca -0.05 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2vwe s LEU 47 Cb -0.03 -2.25 0.02 0.00 0.03 0.00 0.00 46.19 43.96 2vwe s LEU 47 CO 0.04 0.12 -0.13 -0.69 0.23 0.00 0.00 176.35 175.92 2vwe s VAL 48 N -1.56 1.28 0.63 -1.59 1.01 -0.45 -2.67 120.40 117.06 2vwe s VAL 48 Ca 0.28 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 2vwe s VAL 48 Cb -0.11 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2vwe s VAL 48 CO 0.20 0.40 1.15 -2.16 0.00 0.00 0.00 175.10 174.70 2vwe s PRO 49 N 1.01 2.85 0.00 2.72 0.04 -1.26 -2.19 135.00 138.17 2vwe s PRO 49 Ca -0.07 1.61 0.24 0.00 0.04 0.00 0.00 61.00 62.81 2vwe s PRO 49 Cb -0.15 -1.94 1.43 0.00 0.04 0.00 0.00 34.50 33.88 2vwe s PRO 49 CO -0.01 -1.25 1.84 -1.13 0.04 0.00 0.00 177.00 176.49 2vwe n SER 50 N -2.02 0.00 -3.77 6.66 3.41 -1.09 -4.77 113.62 112.04 2vwe n SER 50 Ca 0.12 -0.98 -0.11 0.00 -0.26 0.00 0.00 58.87 57.64 2vwe n SER 50 Cb 0.51 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 2vwe n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vwe s VAL 52 N -2.72 0.60 -0.15 0.00 -7.23 -0.54 -4.94 120.40 105.43 2vwe s VAL 52 Ca -0.04 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2vwe s VAL 52 Cb -0.00 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2vwe s VAL 52 CO -0.04 -0.19 -0.14 0.42 -0.31 0.00 0.00 175.10 174.83 2vwe s THR 53 N -3.72 2.82 0.05 5.32 -4.23 -1.26 0.03 115.64 114.65 2vwe s THR 53 Ca 0.32 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 2vwe s THR 53 Cb 0.07 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 2vwe s THR 53 CO 0.10 0.52 -0.08 0.68 -0.54 0.00 0.00 174.62 175.29 2vwe s VAL 54 N 0.65 0.62 -0.34 2.29 -7.23 -1.02 -4.94 120.40 110.43 2vwe s VAL 54 Ca -0.08 -1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 58.62 2vwe s VAL 54 Cb -0.16 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.03 2vwe s VAL 54 CO 0.02 -0.41 1.40 -1.10 -0.31 0.00 0.00 175.10 174.71 2vwe s GLN 55 N -1.80 3.73 0.19 4.82 -1.52 -1.26 -1.91 119.66 121.91 2vwe s GLN 55 Ca -0.07 1.16 0.09 0.00 -1.95 0.00 0.00 55.36 54.59 2vwe s GLN 55 Cb -0.09 -3.97 -0.04 0.00 -0.22 0.00 0.00 33.01 28.69 2vwe s GLN 55 CO 0.00 -1.36 -0.18 1.03 -0.25 0.00 0.00 175.29 174.53 2vwe s ARG 56 N 4.61 1.34 -0.62 2.91 1.81 0.82 -0.86 118.95 128.96 2vwe s ARG 56 Ca 0.61 -1.49 -0.27 0.00 -1.72 0.00 0.00 55.73 52.85 2vwe s ARG 56 Cb -0.16 -1.36 0.01 0.00 -0.45 0.00 0.00 34.95 32.99 2vwe s ARG 56 CO 0.28 0.27 1.42 0.00 -0.68 0.00 0.00 175.30 176.59 2vwe s GLY 58 N 4.62 2.40 0.00 0.00 0.00 -1.10 -4.95 107.32 108.29 2vwe s GLY 58 Ca 0.49 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2vwe s GLY 58 CO 0.22 -1.94 0.00 0.61 0.00 0.00 0.00 173.10 171.99 2vwe n GLY 59 N -0.87 -0.85 3.25 0.20 0.00 -1.26 -2.75 105.19 102.90 2vwe n GLY 59 Ca -0.06 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 2vwe n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwe h PRO 62 N 2.38 0.23 -5.47 0.00 0.11 -1.97 -3.41 132.00 123.87 2vwe h PRO 62 Ca -0.48 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.02 2vwe h PRO 62 Cb 1.18 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.14 2vwe h PRO 62 CO 0.64 0.15 -0.38 0.34 -0.21 0.00 0.00 178.00 178.54 2vwe s ASP 63 N -5.34 6.38 -0.16 -2.05 2.15 -1.26 -5.05 116.67 111.35 2vwe s ASP 63 Ca -0.13 0.45 -0.29 0.00 0.43 0.00 0.00 52.55 53.00 2vwe s ASP 63 Cb 0.12 -2.15 -0.02 0.00 -0.30 0.00 0.00 42.92 40.57 2vwe s ASP 63 CO 0.71 0.16 1.39 -0.62 -0.17 0.00 0.00 175.17 176.64 2vwe s ASP 64 N 0.24 6.80 0.00 -0.34 2.15 -1.26 -2.94 116.67 121.32 2vwe s ASP 64 Ca 0.14 1.77 0.00 0.00 0.43 0.00 0.00 52.55 54.89 2vwe s ASP 64 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2vwe s ASP 64 CO 0.03 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.76 2vwe n GLY 65 N 3.90 0.07 3.08 2.66 0.00 -1.26 -5.11 105.19 108.53 2vwe n GLY 65 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2vwe n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vwe s LEU 66 N 0.00 1.83 0.24 0.99 1.02 -1.15 -0.82 118.68 120.80 2vwe s LEU 66 Ca 0.00 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.54 2vwe s LEU 66 Cb 0.00 -1.23 -0.07 0.00 0.02 0.00 0.00 46.19 44.91 2vwe s LEU 66 CO 0.00 0.01 0.58 -1.83 0.02 0.00 0.00 176.35 175.13 2vwe s GLU 67 N 1.10 3.84 -0.66 1.70 -1.05 0.22 -4.50 118.70 119.36 2vwe s GLU 67 Ca -0.03 0.34 -0.20 0.00 -0.15 0.00 0.00 54.97 54.94 2vwe s GLU 67 Cb -0.14 -2.61 0.10 0.00 -0.44 0.00 0.00 34.13 31.04 2vwe s GLU 67 CO -0.05 0.29 0.82 0.00 0.95 0.00 0.00 175.26 177.27 2vwe s VAL 69 N 2.94 1.57 0.36 0.00 -7.23 -1.13 -4.94 120.40 111.97 2vwe s VAL 69 Ca 0.17 -1.16 -0.27 0.00 -1.81 0.00 0.00 61.98 58.91 2vwe s VAL 69 Cb -0.20 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.28 2vwe s VAL 69 CO 0.05 0.17 1.23 -2.16 -0.31 0.00 0.00 175.10 174.08 2vwe s PRO 70 N -1.16 4.22 -0.20 4.82 0.04 -1.26 -2.05 135.00 139.41 2vwe s PRO 70 Ca 0.06 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 2vwe s PRO 70 Cb -0.09 -2.90 -0.13 0.00 0.04 0.00 0.00 34.50 31.43 2vwe s PRO 70 CO 0.02 -0.23 -0.02 0.25 0.04 0.00 0.00 177.00 177.05 2vwe n THR 71 N 0.49 1.50 -4.35 1.26 -2.24 0.14 -4.88 114.28 106.19 2vwe n THR 71 Ca 0.02 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 2vwe n THR 71 Cb 0.44 -2.13 -0.13 0.00 -2.10 0.00 0.00 70.33 66.41 2vwe n THR 71 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2vwe s GLY 72 N -4.80 1.06 -0.02 3.38 0.00 -1.21 -5.02 107.32 100.71 2vwe s GLY 72 Ca -0.27 -1.08 -0.10 0.00 0.00 0.00 0.00 44.72 43.28 2vwe s GLY 72 CO 0.46 -1.06 0.21 -0.86 0.00 0.00 0.00 173.10 171.85 2vwe s GLN 73 N -1.57 0.50 -0.03 2.90 0.00 -1.26 -0.89 119.66 119.31 2vwe s GLN 73 Ca 0.04 -0.19 0.01 0.00 -0.00 0.00 0.00 55.36 55.22 2vwe s GLN 73 Cb -0.09 0.22 0.02 0.00 0.00 0.00 0.00 33.01 33.15 2vwe s GLN 73 CO 0.03 -0.12 -0.03 -3.38 0.00 0.00 0.00 175.29 171.78 2vwe s HIS 74 N -1.07 0.55 -0.12 9.60 -3.43 0.69 -4.89 115.29 116.62 2vwe s HIS 74 Ca -0.11 -0.11 -0.30 0.00 -0.80 0.00 0.00 55.06 53.74 2vwe s HIS 74 Cb -0.06 -0.49 -0.02 0.00 -1.43 0.00 0.00 32.58 30.58 2vwe s HIS 74 CO 0.02 -0.12 1.12 -0.65 -2.00 0.00 0.00 174.74 173.11 2vwe s GLN 75 N 0.68 4.34 0.04 -0.38 -0.21 -1.26 -2.15 119.66 120.71 2vwe s GLN 75 Ca -0.08 1.53 0.02 0.00 0.02 0.00 0.00 55.36 56.84 2vwe s GLN 75 Cb -0.11 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 2vwe s GLN 75 CO -0.00 -0.48 0.07 0.14 -2.12 0.00 0.00 175.29 172.90 2vwe s VAL 76 N 2.53 4.57 -0.15 1.09 -7.23 -0.43 -4.91 120.40 115.87 2vwe s VAL 76 Ca 0.51 -0.61 -0.04 0.00 -1.81 0.00 0.00 61.98 60.04 2vwe s VAL 76 Cb -0.20 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.57 2vwe s VAL 76 CO 0.17 0.24 -0.02 0.00 -0.31 0.00 0.00 175.10 175.17 2vwe s ARG 77 N -2.04 3.59 0.06 4.82 1.70 -1.26 -1.58 118.95 124.24 2vwe s ARG 77 Ca 0.26 -0.49 0.09 0.00 -0.47 0.00 0.00 55.73 55.12 2vwe s ARG 77 Cb -0.12 -2.92 -0.03 0.00 -0.57 0.00 0.00 34.95 31.31 2vwe s ARG 77 CO 0.18 0.32 -0.25 -1.64 -1.08 0.00 0.00 175.30 172.82 2vwe s MET 78 N 0.16 1.64 -0.21 3.89 -1.94 0.50 -4.95 119.30 118.40 2vwe s MET 78 Ca -0.01 -1.12 -0.29 0.00 -1.71 0.00 0.00 55.69 52.56 2vwe s MET 78 Cb -0.13 -1.86 0.01 0.00 2.01 0.00 0.00 34.83 34.85 2vwe s MET 78 CO 0.02 0.47 1.05 -1.14 -0.01 0.00 0.00 175.02 175.42 2vwe s GLN 79 N -1.38 4.28 0.02 2.03 0.74 -1.26 -0.78 119.66 123.30 2vwe s GLN 79 Ca 0.11 1.38 0.07 0.00 0.05 0.00 0.00 55.36 56.97 2vwe s GLN 79 Cb -0.10 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.35 2vwe s GLN 79 CO 0.03 -0.60 -0.20 -1.50 -0.55 0.00 0.00 175.29 172.46 2vwe s ILE 80 N 3.09 1.62 -0.42 -2.34 1.10 0.05 -4.96 121.20 119.34 2vwe s ILE 80 Ca 0.45 -1.06 -0.26 0.00 -0.51 0.00 0.00 60.65 59.27 2vwe s ILE 80 Cb -0.16 -1.39 0.02 0.00 0.15 0.00 0.00 42.46 41.08 2vwe s ILE 80 CO 0.08 0.30 0.93 -0.22 -2.11 0.00 0.00 174.94 173.92 2vwe s LEU 81 N -0.90 3.98 -0.42 8.50 2.96 -0.93 -0.30 118.68 131.57 2vwe s LEU 81 Ca 0.07 0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 54.14 2vwe s LEU 81 Cb -0.08 -3.24 0.02 0.00 0.50 0.00 0.00 46.19 43.39 2vwe s LEU 81 CO 0.01 -0.98 0.43 -0.04 -1.32 0.00 0.00 176.35 174.45 2vwe s MET 82 N 3.67 3.08 -1.01 1.98 -1.94 0.20 -1.34 119.30 123.94 2vwe s MET 82 Ca 0.38 -0.79 -0.23 0.00 -1.71 0.00 0.00 55.69 53.34 2vwe s MET 82 Cb -0.11 -3.97 0.04 0.00 2.01 0.00 0.00 34.83 32.80 2vwe s MET 82 CO 0.23 -0.85 1.49 0.42 -0.01 0.00 0.00 175.02 176.31 2vwe s ILE 83 N 2.10 3.88 -0.03 2.53 1.01 -1.19 -2.34 121.20 127.15 2vwe s ILE 83 Ca 0.11 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2vwe s ILE 83 Cb -0.17 -4.97 -0.03 0.00 0.01 0.00 0.00 42.46 37.30 2vwe s ILE 83 CO 0.13 -1.85 -0.02 -0.60 0.00 0.00 0.00 174.94 172.60 2vwe s ARG 84 N 5.16 2.80 0.10 2.79 3.52 -1.26 -3.77 118.95 128.29 2vwe s ARG 84 Ca 0.48 -0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 55.46 2vwe s ARG 84 Cb -0.01 -2.67 -0.20 0.00 -1.56 0.00 0.00 34.95 30.52 2vwe s ARG 84 CO -0.09 0.65 1.21 1.88 -0.81 0.00 0.00 175.30 178.14 2vwe h TYR 85 N 4.67 0.58 -0.04 5.12 -1.99 -1.97 -1.85 116.97 121.49 2vwe h TYR 85 Ca -0.49 -0.37 0.02 0.00 2.00 0.00 0.00 58.73 59.89 2vwe h TYR 85 Cb 1.18 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.84 2vwe h TYR 85 CO 0.61 1.24 -0.10 -1.35 -0.00 0.00 0.00 178.16 178.55 2vwe h PRO 86 N 0.15 -0.14 -1.98 4.88 0.11 -2.02 -3.44 132.00 129.57 2vwe h PRO 86 Ca -0.12 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.08 2vwe h PRO 86 Cb 1.80 0.03 -0.20 0.00 0.11 0.00 0.00 31.00 32.74 2vwe h PRO 86 CO 0.19 -0.10 -0.11 0.45 -0.21 0.00 0.00 178.00 178.22 2vwe s SER 87 N -5.07 -1.12 0.15 -2.05 0.15 -1.22 -5.15 113.70 99.39 2vwe s SER 87 Ca -0.14 1.56 -0.30 0.00 0.70 0.00 0.00 55.95 57.76 2vwe s SER 87 Cb 0.08 2.22 -0.08 0.00 -1.71 0.00 0.00 66.02 66.53 2vwe s SER 87 CO 0.67 -0.22 1.30 -0.55 1.20 0.00 0.00 173.24 175.64 2vwe s SER 88 N 2.78 6.93 0.05 5.45 0.15 -0.70 -4.42 113.70 123.94 2vwe s SER 88 Ca -0.06 2.30 0.01 0.00 0.70 0.00 0.00 55.95 58.90 2vwe s SER 88 Cb -0.11 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 2vwe s SER 88 CO -0.19 -0.54 -0.06 0.00 1.20 0.00 0.00 173.24 173.65 2vwe s GLN 89 N 0.41 0.54 -0.63 5.44 -2.07 -0.99 -4.92 119.66 117.44 2vwe s GLN 89 Ca 0.59 -0.85 -0.19 0.00 -1.82 0.00 0.00 55.36 53.09 2vwe s GLN 89 Cb -0.35 -0.17 0.11 0.00 -1.09 0.00 0.00 33.01 31.51 2vwe s GLN 89 CO 0.34 0.01 0.76 -1.17 -1.32 0.00 0.00 175.29 173.91 2vwe s LEU 90 N -1.88 5.36 0.00 2.60 2.96 -1.26 -0.63 118.68 125.82 2vwe s LEU 90 Ca -0.07 -1.50 0.00 0.00 -0.22 0.00 0.00 54.13 52.34 2vwe s LEU 90 Cb -0.06 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.31 2vwe s LEU 90 CO -0.01 -1.11 0.00 0.61 -1.32 0.00 0.00 176.35 174.51 2vwe n GLY 91 N 5.23 2.44 3.25 7.98 0.00 0.59 -4.87 105.19 119.80 2vwe n GLY 91 Ca -0.06 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.65 2vwe n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vwe s GLU 92 N 1.98 1.46 0.23 1.61 2.12 -1.26 -0.77 118.70 124.07 2vwe s GLU 92 Ca 0.00 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.43 2vwe s GLU 92 Cb 0.00 -1.54 -0.05 0.00 0.26 0.00 0.00 34.13 32.81 2vwe s GLU 92 CO 0.00 0.40 0.11 0.00 -0.54 0.00 0.00 175.26 175.22 2vwe s MET 93 N -1.04 1.33 -0.00 4.30 0.23 0.04 -4.88 119.30 119.27 2vwe s MET 93 Ca 0.08 -1.71 0.00 0.00 -1.03 0.00 0.00 55.69 53.03 2vwe s MET 93 Cb -0.09 -0.07 0.00 0.00 -1.53 0.00 0.00 34.83 33.14 2vwe s MET 93 CO 0.01 -0.32 -0.01 -1.54 -2.03 0.00 0.00 175.02 171.13 2vwe s SER 94 N -3.25 0.12 0.05 -1.18 1.04 -1.26 -0.37 113.70 108.84 2vwe s SER 94 Ca 0.38 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.81 2vwe s SER 94 Cb 0.08 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 2vwe s SER 94 CO 0.13 0.01 -0.07 -0.76 0.98 0.00 0.00 173.24 173.52 2vwe s LEU 95 N 0.03 2.32 -0.18 2.42 1.02 -0.61 -5.01 118.68 118.67 2vwe s LEU 95 Ca -0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.18 2vwe s LEU 95 Cb -0.01 -0.10 -0.00 0.00 0.02 0.00 0.00 46.19 46.10 2vwe s LEU 95 CO -0.00 -0.29 1.07 -0.70 0.02 0.00 0.00 176.35 176.45 2vwe s GLU 96 N -2.20 4.30 -0.00 1.70 2.12 -1.26 -1.32 118.70 122.03 2vwe s GLU 96 Ca -0.05 1.43 0.06 0.00 0.36 0.00 0.00 54.97 56.77 2vwe s GLU 96 Cb -0.06 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 2vwe s GLU 96 CO -0.01 -0.55 -0.17 -2.00 -0.54 0.00 0.00 175.26 171.98 2vwe s GLU 97 N 2.90 2.27 0.20 4.30 2.12 -0.91 -4.93 118.70 124.64 2vwe s GLU 97 Ca 0.47 -0.85 -0.17 0.00 0.36 0.00 0.00 54.97 54.78 2vwe s GLU 97 Cb -0.17 -2.26 -0.08 0.00 0.26 0.00 0.00 34.13 31.88 2vwe s GLU 97 CO 0.11 0.58 0.66 -1.01 -0.54 0.00 0.00 175.26 175.06 2vwe s HIS 98 N -0.81 3.61 -0.22 5.30 3.76 -0.04 -0.22 115.29 126.67 2vwe s HIS 98 Ca 0.13 1.24 -0.15 0.00 -0.15 0.00 0.00 55.06 56.13 2vwe s HIS 98 Cb -0.10 -2.51 -0.09 0.00 1.11 0.00 0.00 32.58 30.99 2vwe s HIS 98 CO 0.03 0.35 -0.34 0.43 -0.85 0.00 0.00 174.74 174.36 2vwe n SER 99 N 0.66 1.89 -3.80 1.40 7.64 -0.07 -4.71 113.62 116.63 2vwe n SER 99 Ca -0.03 0.32 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 2vwe n SER 99 Cb 0.51 -0.75 -0.09 0.00 -1.01 0.00 0.00 64.21 62.87 2vwe n SER 99 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2vwe s GLN 100 N -2.68 0.59 0.22 1.43 0.74 -1.14 -4.83 119.66 113.99 2vwe s GLN 100 Ca -0.33 -0.27 0.10 0.00 0.05 0.00 0.00 55.36 54.92 2vwe s GLN 100 Cb 0.09 0.26 -0.05 0.00 1.10 0.00 0.00 33.01 34.41 2vwe s GLN 100 CO 0.44 -0.15 -0.20 0.00 -0.55 0.00 0.00 175.29 174.83 2vwe s GLU 102 N -3.16 0.51 -0.66 0.00 2.02 -0.87 -4.86 118.70 111.68 2vwe s GLU 102 Ca 0.23 -0.82 -0.20 0.00 0.02 0.00 0.00 54.97 54.20 2vwe s GLU 102 Cb -0.05 0.19 0.10 0.00 0.10 0.00 0.00 34.13 34.47 2vwe s GLU 102 CO 0.10 -0.11 0.86 0.00 0.02 0.00 0.00 175.26 176.13 2vwe s ARG 104 N 3.17 3.28 0.27 0.00 0.52 -0.89 -4.86 118.95 120.43 2vwe s ARG 104 Ca 0.18 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 2vwe s ARG 104 Cb -0.19 -3.04 -0.11 0.00 0.52 0.00 0.00 34.95 32.13 2vwe s ARG 104 CO 0.06 0.73 1.60 -2.14 0.02 0.00 0.00 175.30 175.56 2vwe s PRO 105 N -1.25 4.14 -0.19 3.54 0.02 -1.26 0.72 135.00 140.72 2vwe s PRO 105 Ca 0.18 2.56 -0.29 0.00 0.02 0.00 0.00 61.00 63.46 2vwe s PRO 105 Cb -0.12 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 2vwe s PRO 105 CO 0.07 -0.64 1.59 -1.59 -0.33 0.00 0.00 177.00 176.11 2vwe s LYS 106 N -0.17 3.88 0.20 5.54 -2.85 0.00 -4.73 119.74 121.60 2vwe s LYS 106 Ca 0.65 1.73 0.01 0.00 -1.00 0.00 0.00 55.97 57.36 2vwe s LYS 106 Cb -0.48 -4.01 0.12 0.00 -2.06 0.00 0.00 37.83 31.40 2vwe s LYS 106 CO 0.44 -1.19 1.47 1.57 0.10 0.00 0.00 175.35 177.75 2vwe h LYS 107 N 10.37 0.33 0.00 1.78 5.09 -1.91 -3.49 116.57 128.74 2vwe h LYS 107 Ca -0.34 -0.26 0.00 0.00 0.09 0.00 0.00 60.65 60.14 2vwe h LYS 107 Cb 1.15 0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.53 2vwe h LYS 107 CO 0.99 0.90 0.00 0.36 -2.09 0.00 0.00 179.45 179.61