#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgr s SER 2 N 0.00 1.56 0.64 1.61 0.15 -1.26 -5.15 113.70 111.25 1wgr s SER 2 Ca 0.00 -0.17 -0.12 0.00 0.70 0.00 0.00 55.95 56.36 1wgr s SER 2 Cb 0.00 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1wgr s SER 2 CO 0.00 -0.29 1.04 -0.55 1.20 0.00 0.00 173.24 174.64 1wgr s SER 3 N 2.19 5.93 0.00 5.45 0.15 -1.26 -4.91 113.70 121.25 1wgr s SER 3 Ca 0.04 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1wgr s SER 3 Cb -0.14 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1wgr s SER 3 CO -0.06 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 173.92 1wgr n GLY 4 N -2.27 -0.57 3.03 9.45 0.00 -1.26 -5.00 105.19 108.57 1wgr n GLY 4 Ca 0.07 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 1wgr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgr s SER 5 N -1.62 1.29 -0.47 1.61 0.01 -1.26 -5.10 113.70 108.16 1wgr s SER 5 Ca 0.00 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.09 1wgr s SER 5 Cb 0.00 -0.24 0.13 0.00 0.21 0.00 0.00 66.02 66.12 1wgr s SER 5 CO 0.00 0.11 0.23 -0.55 0.41 0.00 0.00 173.24 173.43 1wgr s SER 6 N -0.05 4.09 0.00 2.44 0.15 -1.26 -5.03 113.70 114.05 1wgr s SER 6 Ca 0.01 -2.74 0.00 0.00 0.70 0.00 0.00 55.95 53.92 1wgr s SER 6 Cb -0.06 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 1wgr s SER 6 CO 0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1wgr n GLY 7 N 3.44 0.84 3.59 9.45 0.00 -1.26 -4.98 105.19 116.26 1wgr n GLY 7 Ca 0.06 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 1wgr n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgr s ARG 8 N 0.00 2.08 1.05 1.61 0.52 -1.26 -5.14 118.95 117.81 1wgr s ARG 8 Ca 0.00 -1.54 -0.17 0.00 -0.52 0.00 0.00 55.73 53.50 1wgr s ARG 8 Cb 0.00 -2.02 0.22 0.00 0.52 0.00 0.00 34.95 33.67 1wgr s ARG 8 CO 0.00 0.35 1.20 -1.25 0.02 0.00 0.00 175.30 175.62 1wgr s PRO 9 N -3.62 0.02 -0.32 3.54 0.04 -1.26 -4.96 135.00 128.43 1wgr s PRO 9 Ca 0.31 -0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.20 1wgr s PRO 9 Cb -0.06 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.80 1wgr s PRO 9 CO 0.18 -2.88 0.03 -1.01 0.04 0.00 0.00 177.00 173.37 1wgr s HIS 10 N -3.42 3.37 -0.92 0.56 3.76 0.29 -4.96 115.29 113.96 1wgr s HIS 10 Ca 0.71 -2.11 -0.22 0.00 -0.15 0.00 0.00 55.06 53.29 1wgr s HIS 10 Cb -0.08 -2.37 0.08 0.00 1.11 0.00 0.00 32.58 31.32 1wgr s HIS 10 CO 0.54 -0.85 1.26 0.08 -0.85 0.00 0.00 174.74 174.91 1wgr s VAL 11 N 1.19 4.26 0.29 -0.90 1.01 -1.26 -1.76 120.40 123.24 1wgr s VAL 11 Ca -0.02 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1wgr s VAL 11 Cb -0.20 -4.90 -0.09 0.00 0.00 0.00 0.00 36.38 31.19 1wgr s VAL 11 CO -0.03 -1.71 1.07 -0.69 0.00 0.00 0.00 175.10 173.74 1wgr s VAL 12 N 4.05 3.60 -0.37 2.92 1.01 -0.87 -4.88 120.40 125.85 1wgr s VAL 12 Ca 0.37 1.56 0.02 0.00 0.00 0.00 0.00 61.98 63.93 1wgr s VAL 12 Cb -0.04 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.48 1wgr s VAL 12 CO -0.06 0.33 0.11 -0.54 0.00 0.00 0.00 175.10 174.94 1wgr s LYS 13 N -1.57 1.68 -0.15 2.72 1.02 -1.26 -2.63 119.74 119.56 1wgr s LYS 13 Ca 0.46 -1.91 -0.05 0.00 0.02 0.00 0.00 55.97 54.49 1wgr s LYS 13 Cb -0.30 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1wgr s LYS 13 CO 0.38 -0.99 0.03 0.08 -0.92 0.00 0.00 175.35 173.93 1wgr s VAL 14 N 0.90 4.56 -0.09 3.17 1.01 -1.09 -3.71 120.40 125.14 1wgr s VAL 14 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1wgr s VAL 14 Cb -0.20 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1wgr s VAL 14 CO -0.06 0.51 0.14 -0.31 0.00 0.00 0.00 175.10 175.38 1wgr s TYR 15 N -0.04 3.55 0.07 5.22 1.51 -0.01 -1.84 117.35 125.82 1wgr s TYR 15 Ca 0.05 0.46 -0.20 0.00 -1.01 0.00 0.00 57.07 56.37 1wgr s TYR 15 Cb -0.12 -1.90 -0.07 0.00 -0.11 0.00 0.00 41.96 39.76 1wgr s TYR 15 CO 0.01 0.70 0.59 -1.54 -1.11 0.00 0.00 175.55 174.20 1wgr s SER 16 N -1.27 7.08 0.37 2.29 1.04 -1.04 -2.43 113.70 119.74 1wgr s SER 16 Ca 0.18 1.28 0.18 0.00 0.48 0.00 0.00 55.95 58.07 1wgr s SER 16 Cb -0.12 -2.37 1.18 0.00 0.10 0.00 0.00 66.02 64.81 1wgr s SER 16 CO 0.08 0.25 1.66 -0.33 0.98 0.00 0.00 173.24 175.88 1wgr h GLU 17 N 4.63 0.25 -0.48 4.02 5.08 -1.89 1.32 114.58 127.51 1wgr h GLU 17 Ca -0.49 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 1wgr h GLU 17 Cb 1.21 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1wgr h GLU 17 CO 0.64 0.16 0.03 -0.44 -1.00 0.00 0.00 179.01 178.41 1wgr h ASP 18 N 0.25 0.81 0.00 1.42 3.32 -1.93 -3.47 116.42 116.82 1wgr h ASP 18 Ca 0.75 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1wgr h ASP 18 Cb 1.88 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.22 1wgr h ASP 18 CO -0.57 0.90 0.00 0.61 -1.72 0.00 0.00 179.24 178.46 1wgr n GLY 19 N -0.44 1.38 3.56 2.75 0.00 0.45 -5.08 105.19 107.82 1wgr n GLY 19 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1wgr n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgr s ALA 20 N -0.01 2.07 0.40 4.61 0.00 -1.26 -4.41 121.76 123.17 1wgr s ALA 20 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1wgr s ALA 20 Cb 0.00 -4.25 -0.02 0.00 0.00 0.00 0.00 23.12 18.85 1wgr s ALA 20 CO 0.00 -3.85 0.62 0.00 0.00 0.00 0.00 175.76 172.53 1wgr s ARG 22 N -4.46 1.70 0.02 0.00 3.03 -0.76 -4.94 118.95 113.54 1wgr s ARG 22 Ca 0.45 -1.52 0.03 0.00 2.03 0.00 0.00 55.73 56.71 1wgr s ARG 22 Cb -0.10 0.45 -0.01 0.00 -1.03 0.00 0.00 34.95 34.25 1wgr s ARG 22 CO 0.37 -0.70 -0.08 -1.12 -1.13 0.00 0.00 175.30 172.64 1wgr s SER 23 N -3.13 0.93 0.03 -2.89 0.01 -1.26 -2.69 113.70 104.70 1wgr s SER 23 Ca 0.27 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1wgr s SER 23 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1wgr s SER 23 CO 0.14 -0.02 -0.07 0.68 0.41 0.00 0.00 173.24 174.38 1wgr s VAL 24 N -0.65 0.54 -0.47 3.43 -7.23 -1.08 -5.00 120.40 109.96 1wgr s VAL 24 Ca -0.02 -0.81 -0.17 0.00 -1.81 0.00 0.00 61.98 59.18 1wgr s VAL 24 Cb -0.06 -0.56 0.05 0.00 0.56 0.00 0.00 36.38 36.38 1wgr s VAL 24 CO 0.00 -0.20 0.47 -1.61 -0.31 0.00 0.00 175.10 173.45 1wgr s GLU 25 N -1.10 3.05 0.15 4.82 2.02 -1.26 -2.06 118.70 124.33 1wgr s GLU 25 Ca -0.05 -1.03 0.07 0.00 0.02 0.00 0.00 54.97 53.97 1wgr s GLU 25 Cb -0.07 -4.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 1wgr s GLU 25 CO 0.00 -1.02 -0.14 0.14 0.02 0.00 0.00 175.26 174.26 1wgr s VAL 26 N 2.07 1.48 0.51 2.63 -7.23 -0.72 -4.92 120.40 114.22 1wgr s VAL 26 Ca 0.10 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 1wgr s VAL 26 Cb -0.20 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.00 1wgr s VAL 26 CO 0.10 -0.49 0.28 0.00 -0.31 0.00 0.00 175.10 174.68 1wgr s ALA 27 N -2.50 4.22 -0.97 1.32 0.00 -1.26 0.11 121.76 122.67 1wgr s ALA 27 Ca 0.14 -1.21 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 1wgr s ALA 27 Cb -0.03 -0.52 -0.12 0.00 0.00 0.00 0.00 23.12 22.46 1wgr s ALA 27 CO 0.04 -0.30 2.10 0.00 0.00 0.00 0.00 175.76 177.60 1wgr s ALA 28 N -2.76 1.20 0.00 0.00 0.00 -1.26 -2.72 121.76 116.22 1wgr s ALA 28 Ca 0.29 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1wgr s ALA 28 Cb -0.00 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.50 1wgr s ALA 28 CO 0.17 -5.62 0.00 0.41 0.00 0.00 0.00 175.76 170.72 1wgr n GLY 29 N 6.48 -0.42 3.65 0.00 0.00 -1.26 -4.98 105.19 108.65 1wgr n GLY 29 Ca 0.43 0.13 -0.45 0.00 0.00 0.00 0.00 46.02 46.14 1wgr n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgr n ALA 30 N 0.00 0.66 -3.35 4.61 0.00 -1.10 -4.97 120.51 116.35 1wgr n ALA 30 Ca 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.74 1wgr n ALA 30 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 19.45 17.27 1wgr n ALA 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wgr n THR 31 N 1.17 0.00 0.31 0.00 -2.24 -1.26 -4.01 114.28 108.24 1wgr n THR 31 Ca 0.10 -0.79 0.21 0.00 -2.27 0.00 0.00 64.05 61.30 1wgr n THR 31 Cb 0.32 -0.55 1.09 0.00 -2.10 0.00 0.00 70.33 69.08 1wgr n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wgr h ALA 32 N 0.55 1.00 0.04 6.98 0.00 -0.18 -1.71 119.26 125.94 1wgr h ALA 32 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1wgr h ALA 32 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wgr h ALA 32 CO 0.18 0.00 -0.54 -0.09 0.00 0.00 0.00 179.25 178.80 1wgr h ARG 33 N 0.00 0.09 -0.75 0.00 9.65 -1.81 -2.81 114.38 118.75 1wgr h ARG 33 Ca 0.00 -0.16 0.16 0.00 -1.10 0.00 0.00 59.98 58.89 1wgr h ARG 33 Cb 0.03 0.06 -0.14 0.00 -1.39 0.00 0.00 29.97 28.53 1wgr h ARG 33 CO 0.00 1.08 -0.07 0.45 2.80 0.00 0.00 179.97 184.22 1wgr h HIS 34 N -0.78 -0.19 0.66 2.20 3.86 -1.63 0.37 115.15 119.63 1wgr h HIS 34 Ca -0.12 0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1wgr h HIS 34 Cb 1.27 0.20 0.01 0.00 1.06 0.00 0.00 27.41 29.95 1wgr h HIS 34 CO 0.22 -0.28 -0.32 0.28 0.86 0.00 0.00 177.93 178.69 1wgr h VAL 35 N 0.06 0.20 -1.66 2.45 2.07 -1.63 0.29 116.25 118.02 1wgr h VAL 35 Ca 0.39 -0.27 0.49 0.00 0.82 0.00 0.00 66.70 68.13 1wgr h VAL 35 Cb 0.67 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 1wgr h VAL 35 CO -0.71 0.02 1.18 0.00 0.02 0.00 0.00 177.57 178.08 1wgr h GLU 37 N 0.02 0.29 0.06 0.00 4.39 0.27 -2.89 114.58 116.72 1wgr h GLU 37 Ca 0.82 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1wgr h GLU 37 Cb 3.17 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 32.00 1wgr h GLU 37 CO -0.07 1.24 -0.05 0.52 -1.16 0.00 0.00 179.01 179.49 1wgr h MET 38 N -0.35 -0.12 0.63 2.33 2.86 0.58 0.22 114.93 121.08 1wgr h MET 38 Ca -0.19 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1wgr h MET 38 Cb 1.69 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.37 1wgr h MET 38 CO 0.13 -0.08 -0.44 -0.07 1.06 0.00 0.00 176.91 177.51 1wgr h LEU 39 N -0.13 -1.13 -0.99 1.22 3.38 -0.28 -1.67 115.31 115.71 1wgr h LEU 39 Ca 0.00 0.07 0.39 0.00 0.09 0.00 0.00 57.88 58.43 1wgr h LEU 39 Cb 0.12 0.35 -0.18 0.00 0.09 0.00 0.00 40.66 41.04 1wgr h LEU 39 CO -0.01 -0.65 0.44 0.52 0.09 0.00 0.00 178.44 178.83 1wgr n VAL 40 N -5.56 -0.42 0.00 1.22 0.31 -1.09 -4.65 118.33 108.14 1wgr n VAL 40 Ca -0.13 2.05 0.00 0.00 -0.01 0.00 0.00 64.34 66.25 1wgr n VAL 40 Cb 0.45 -3.26 0.00 0.00 -0.91 0.00 0.00 33.84 30.12 1wgr n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wgr n GLN 41 N -5.29 0.00 0.00 5.55 10.64 -0.65 -5.06 117.38 122.57 1wgr n GLN 41 Ca 0.35 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.52 1wgr n GLN 41 Cb 1.18 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.56 1wgr n GLN 41 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1wgr n ARG 42 N 0.00 0.00 -3.82 2.61 5.12 0.70 -4.82 116.66 116.45 1wgr n ARG 42 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 1wgr n ARG 42 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1wgr n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wgr s ALA 43 N -1.00 -1.34 0.45 7.54 0.00 -1.25 -2.12 121.76 124.04 1wgr s ALA 43 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1wgr s ALA 43 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1wgr s ALA 43 CO 0.00 -1.04 0.00 1.58 0.00 0.00 0.00 175.76 176.30 1wgr n HIS 44 N -0.54 -3.42 -3.62 0.00 -0.00 -1.26 -5.07 115.22 101.31 1wgr n HIS 44 Ca -0.05 1.84 -0.03 0.00 0.46 0.00 0.00 57.72 59.94 1wgr n HIS 44 Cb 0.60 -2.96 -0.02 0.00 -0.12 0.00 0.00 29.99 27.49 1wgr n HIS 44 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wgr s ALA 45 N -4.40 -2.17 -0.06 1.57 0.00 -1.26 -5.05 121.76 110.40 1wgr s ALA 45 Ca 0.00 1.65 -0.08 0.00 0.00 0.00 0.00 51.96 53.53 1wgr s ALA 45 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1wgr s ALA 45 CO 0.00 -0.63 -0.16 1.28 0.00 0.00 0.00 175.76 176.26 1wgr n LEU 46 N -0.10 1.10 0.00 0.00 4.77 -1.26 -5.11 117.00 116.40 1wgr n LEU 46 Ca 0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1wgr n LEU 46 Cb 0.58 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1wgr n LEU 46 CO 0.09 -0.45 0.00 -0.24 -1.33 0.00 0.00 177.39 175.46 1wgr n SER 47 N -3.58 0.00 0.07 -1.43 2.88 -1.26 -5.08 113.62 105.21 1wgr n SER 47 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1wgr n SER 47 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1wgr n SER 47 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1wgr n ASP 48 N 0.00 -1.19 -3.65 -3.46 2.03 -1.26 -5.14 116.55 103.89 1wgr n ASP 48 Ca 0.00 0.38 -0.02 0.00 0.52 0.00 0.00 54.79 55.67 1wgr n ASP 48 Cb 0.00 1.35 -0.07 0.00 -0.72 0.00 0.00 41.12 41.68 1wgr n ASP 48 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1wgr s GLU 49 N -2.00 0.32 0.30 -0.67 2.02 -1.26 -5.15 118.70 112.25 1wgr s GLU 49 Ca 0.00 0.53 -0.28 0.00 0.02 0.00 0.00 54.97 55.24 1wgr s GLU 49 Cb 0.00 0.08 -0.09 0.00 0.10 0.00 0.00 34.13 34.21 1wgr s GLU 49 CO 0.00 -0.06 1.02 0.95 0.02 0.00 0.00 175.26 177.19 1wgr s THR 50 N 1.15 3.81 0.08 3.63 -4.23 -1.26 -5.05 115.64 113.76 1wgr s THR 50 Ca -0.07 1.69 0.01 0.00 -1.18 0.00 0.00 61.69 62.14 1wgr s THR 50 Cb -0.04 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.74 1wgr s THR 50 CO -0.13 0.30 -0.06 0.26 -0.54 0.00 0.00 174.62 174.45 1wgr s TRP 51 N -1.32 0.79 0.00 3.99 0.52 -1.26 -4.51 118.94 117.14 1wgr s TRP 51 Ca 0.47 -0.87 0.00 0.00 0.02 0.00 0.00 56.10 55.72 1wgr s TRP 51 Cb -0.26 -0.47 0.00 0.00 -1.15 0.00 0.00 33.47 31.58 1wgr s TRP 51 CO 0.33 -0.18 0.00 0.41 0.02 0.00 0.00 176.95 177.54 1wgr n GLY 52 N 0.23 3.87 3.38 0.98 0.00 -0.48 -4.95 105.19 108.22 1wgr n GLY 52 Ca -0.14 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 1wgr n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wgr s LEU 53 N 0.00 2.38 -0.13 0.99 1.43 -1.26 -3.37 118.68 118.72 1wgr s LEU 53 Ca 0.00 -0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 52.25 1wgr s LEU 53 Cb 0.00 -1.09 0.05 0.00 0.03 0.00 0.00 46.19 45.19 1wgr s LEU 53 CO 0.00 0.10 0.10 -0.69 0.23 0.00 0.00 176.35 176.09 1wgr s VAL 54 N -1.48 -0.12 -0.27 -1.59 1.01 0.35 -3.01 120.40 115.30 1wgr s VAL 54 Ca 0.16 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1wgr s VAL 54 Cb -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1wgr s VAL 54 CO 0.07 -0.12 1.12 -1.83 0.00 0.00 0.00 175.10 174.34 1wgr s GLU 55 N 2.17 4.13 -0.02 2.72 -1.05 0.26 0.19 118.70 127.11 1wgr s GLU 55 Ca 0.03 1.28 -0.02 0.00 -0.15 0.00 0.00 54.97 56.11 1wgr s GLU 55 Cb -0.15 -3.73 -0.04 0.00 -0.44 0.00 0.00 34.13 29.78 1wgr s GLU 55 CO -0.07 -0.81 0.12 0.00 0.95 0.00 0.00 175.26 175.44 1wgr s HIS 57 N -1.22 3.48 -0.78 0.00 3.76 -0.59 -1.68 115.29 118.26 1wgr s HIS 57 Ca 0.24 -2.59 -0.06 0.00 -0.15 0.00 0.00 55.06 52.49 1wgr s HIS 57 Cb -0.12 -3.21 -0.12 0.00 1.11 0.00 0.00 32.58 30.24 1wgr s HIS 57 CO 0.15 -0.90 2.61 -0.35 -0.85 0.00 0.00 174.74 175.40 1wgr n PRO 58 N 3.95 2.31 0.00 8.40 -0.04 -1.26 -1.08 135.00 147.28 1wgr n PRO 58 Ca 0.03 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1wgr n PRO 58 Cb 0.39 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1wgr n PRO 58 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1wgr n HIS 59 N 3.46 -0.35 0.90 0.54 1.44 -1.26 -4.68 115.22 115.27 1wgr n HIS 59 Ca 0.49 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.31 1wgr n HIS 59 Cb 0.36 0.07 0.05 0.00 0.12 0.00 0.00 29.99 30.59 1wgr n HIS 59 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1wgr n LEU 60 N -1.40 2.38 -3.70 2.39 4.77 -1.08 -4.97 117.00 115.39 1wgr n LEU 60 Ca 0.00 -0.89 -0.22 0.00 -0.03 0.00 0.00 56.01 54.87 1wgr n LEU 60 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1wgr n LEU 60 CO 0.00 0.42 -0.01 0.00 -1.33 0.00 0.00 177.39 176.47 1wgr n ALA 61 N 0.62 -1.87 -2.58 -1.18 0.00 -0.24 -4.98 120.51 110.28 1wgr n ALA 61 Ca 0.11 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 1wgr n ALA 61 Cb 0.49 -2.55 -0.08 0.00 0.00 0.00 0.00 19.45 17.31 1wgr n ALA 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wgr s LEU 62 N -6.77 3.05 -0.20 0.00 1.98 -1.21 -4.98 118.68 110.56 1wgr s LEU 62 Ca 0.13 -0.81 -0.04 0.00 -2.89 0.00 0.00 54.13 50.52 1wgr s LEU 62 Cb -0.06 -1.52 0.09 0.00 0.66 0.00 0.00 46.19 45.36 1wgr s LEU 62 CO 0.80 -0.09 0.22 -1.61 -1.89 0.00 0.00 176.35 173.78 1wgr s GLU 63 N -3.68 0.19 0.04 1.98 8.01 -1.26 -1.54 118.70 122.44 1wgr s GLU 63 Ca 0.33 0.18 0.09 0.00 0.01 0.00 0.00 54.97 55.58 1wgr s GLU 63 Cb -0.04 -1.23 -0.03 0.00 -4.31 0.00 0.00 34.13 28.52 1wgr s GLU 63 CO 0.19 -0.66 -0.26 0.50 0.01 0.00 0.00 175.26 175.04 1wgr s ARG 64 N 2.32 1.77 -0.08 1.61 6.06 -0.33 -5.00 118.95 125.31 1wgr s ARG 64 Ca 0.07 -1.09 0.02 0.00 -2.50 0.00 0.00 55.73 52.22 1wgr s ARG 64 Cb -0.16 -1.94 -0.03 0.00 0.06 0.00 0.00 34.95 32.89 1wgr s ARG 64 CO -0.12 0.50 -0.11 0.20 -2.50 0.00 0.00 175.30 173.27 1wgr s GLY 65 N -1.22 1.60 0.16 8.12 0.00 -1.26 0.90 107.32 115.61 1wgr s GLY 65 Ca 0.11 -0.92 0.07 0.00 0.00 0.00 0.00 44.72 43.98 1wgr s GLY 65 CO 0.02 -0.59 -0.03 0.48 0.00 0.00 0.00 173.10 172.97 1wgr s LEU 66 N -0.50 3.21 0.00 0.66 2.34 -1.16 -4.97 118.68 118.26 1wgr s LEU 66 Ca 0.07 -0.43 -0.11 0.00 0.06 0.00 0.00 54.13 53.72 1wgr s LEU 66 Cb -0.12 -1.89 0.15 0.00 -0.56 0.00 0.00 46.19 43.78 1wgr s LEU 66 CO 0.02 0.11 0.80 -0.62 -1.06 0.00 0.00 176.35 175.60 1wgr n GLU 67 N 0.05 -1.19 0.11 1.48 -0.58 -1.26 -4.27 120.64 114.97 1wgr n GLU 67 Ca -0.10 -1.25 -0.12 0.00 -0.42 0.00 0.00 57.16 55.27 1wgr n GLU 67 Cb 0.55 -0.90 -0.07 0.00 -0.57 0.00 0.00 31.44 30.44 1wgr n GLU 67 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1wgr h ASP 68 N -1.34 -0.28 -0.97 1.62 2.03 -1.97 -3.13 116.42 112.37 1wgr h ASP 68 Ca -0.27 -0.25 0.29 0.00 -0.73 0.00 0.00 57.03 56.07 1wgr h ASP 68 Cb 0.76 0.07 -0.14 0.00 -0.83 0.00 0.00 39.33 39.19 1wgr h ASP 68 CO 0.19 0.19 0.49 1.12 -1.03 0.00 0.00 179.24 180.20 1wgr h HIS 69 N -0.85 0.81 -1.74 4.15 2.07 -1.96 -2.31 115.15 115.31 1wgr h HIS 69 Ca -0.03 0.04 -0.68 0.00 -2.85 0.00 0.00 60.37 56.85 1wgr h HIS 69 Cb 0.51 -0.20 0.04 0.00 2.57 0.00 0.00 27.41 30.33 1wgr h HIS 69 CO 0.05 -0.14 0.67 0.39 -3.07 0.00 0.00 177.93 175.83 1wgr n GLU 70 N -5.06 1.35 -2.94 5.12 -0.58 -1.18 -4.70 120.64 112.64 1wgr n GLU 70 Ca 0.28 0.49 -0.42 0.00 -0.42 0.00 0.00 57.16 57.10 1wgr n GLU 70 Cb 0.87 -2.18 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 1wgr n GLU 70 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wgr s SER 71 N 1.68 6.76 0.30 1.62 0.15 -1.26 -0.48 113.70 122.48 1wgr s SER 71 Ca 0.88 0.93 0.05 0.00 0.70 0.00 0.00 55.95 58.51 1wgr s SER 71 Cb -0.93 -2.41 0.73 0.00 -1.71 0.00 0.00 66.02 61.69 1wgr s SER 71 CO 0.51 -0.50 1.78 -0.37 1.20 0.00 0.00 173.24 175.86 1wgr h VAL 72 N 5.45 0.71 0.44 4.45 -1.51 -1.83 0.61 116.25 124.57 1wgr h VAL 72 Ca -0.24 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 1wgr h VAL 72 Cb 1.10 -0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1wgr h VAL 72 CO 0.85 0.14 -0.21 0.58 -1.23 0.00 0.00 177.57 177.70 1wgr h VAL 73 N 0.77 0.00 -1.11 7.19 2.07 -1.92 1.36 116.25 124.62 1wgr h VAL 73 Ca 0.57 -0.23 0.31 0.00 0.82 0.00 0.00 66.70 68.18 1wgr h VAL 73 Cb 0.88 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.54 1wgr h VAL 73 CO -0.38 0.00 0.70 -0.33 0.02 0.00 0.00 177.57 177.58 1wgr h GLU 74 N -0.82 0.31 0.11 1.57 5.08 -1.78 1.85 114.58 120.90 1wgr h GLU 74 Ca -0.06 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.01 1wgr h GLU 74 Cb 0.45 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1wgr h GLU 74 CO 0.10 0.20 -1.22 0.28 -1.00 0.00 0.00 179.01 177.38 1wgr h VAL 75 N 0.32 1.52 -0.07 3.13 2.07 0.30 -2.36 116.25 121.16 1wgr h VAL 75 Ca 0.67 -3.11 -0.13 0.00 0.82 0.00 0.00 66.70 64.95 1wgr h VAL 75 Cb 1.78 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 34.48 1wgr h VAL 75 CO -0.37 0.90 -0.55 -0.61 0.02 0.00 0.00 177.57 176.97 1wgr h GLN 76 N 0.06 0.19 0.00 1.57 4.15 1.02 -2.62 115.11 119.49 1wgr h GLN 76 Ca -0.12 -0.12 -0.17 0.00 0.77 0.00 0.00 58.65 59.01 1wgr h GLN 76 Cb 1.95 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.63 1wgr h GLN 76 CO 0.19 0.69 -0.82 0.00 -1.93 0.00 0.00 178.83 176.96 1wgr h ALA 77 N 1.28 0.61 -0.16 3.38 0.00 0.23 -3.06 119.26 121.54 1wgr h ALA 77 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 1wgr h ALA 77 Cb 1.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1wgr h ALA 77 CO 0.08 1.03 -0.25 0.00 0.00 0.00 0.00 179.25 180.12 1wgr h ALA 78 N 1.18 1.29 -1.73 0.00 0.00 -1.14 -3.44 119.26 115.41 1wgr h ALA 78 Ca -0.01 -0.30 -0.62 0.00 0.00 0.00 0.00 54.91 53.98 1wgr h ALA 78 Cb 1.49 -0.10 0.13 0.00 0.00 0.00 0.00 17.79 19.31 1wgr h ALA 78 CO 0.11 0.48 -0.31 0.91 0.00 0.00 0.00 179.25 180.43 1wgr n TRP 79 N -4.16 -0.07 -1.55 0.00 8.01 -1.01 -4.92 117.44 113.74 1wgr n TRP 79 Ca -0.01 0.73 -0.30 0.00 -1.31 0.00 0.00 57.50 56.61 1wgr n TRP 79 Cb 0.37 -2.05 0.10 0.00 -2.01 0.00 0.00 31.31 27.72 1wgr n TRP 79 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1wgr s PRO 80 N -1.39 1.89 -0.17 -0.99 0.04 -1.26 -5.01 135.00 128.10 1wgr s PRO 80 Ca 0.62 0.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 1wgr s PRO 80 Cb -0.72 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 1wgr s PRO 80 CO 0.58 -1.74 0.67 0.54 0.04 0.00 0.00 177.00 177.09 1wgr s VAL 81 N -3.19 5.01 0.00 -0.36 0.11 -1.26 -4.31 120.40 116.40 1wgr s VAL 81 Ca 0.61 1.30 0.00 0.00 -2.93 0.00 0.00 61.98 60.96 1wgr s VAL 81 Cb -0.14 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 1wgr s VAL 81 CO 0.54 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 1wgr n GLY 82 N 3.58 2.23 3.70 6.54 0.00 -1.26 -5.08 105.19 114.90 1wgr n GLY 82 Ca -0.01 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1wgr n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wgr s GLY 83 N 0.00 1.47 -1.02 -0.02 0.00 -1.26 -4.85 107.32 101.64 1wgr s GLY 83 Ca 0.00 1.33 -0.08 0.00 0.00 0.00 0.00 44.72 45.97 1wgr s GLY 83 CO 0.00 2.91 2.76 1.22 0.00 0.00 0.00 173.10 180.00 1wgr n ASP 84 N 5.21 6.61 -4.59 1.64 9.92 -1.26 -4.87 116.55 129.22 1wgr n ASP 84 Ca 0.16 -2.44 -0.43 0.00 -0.53 0.00 0.00 54.79 51.56 1wgr n ASP 84 Cb 0.39 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.54 1wgr n ASP 84 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1wgr n SER 85 N 3.51 1.05 -4.09 -2.24 7.64 -1.26 -4.53 113.62 113.70 1wgr n SER 85 Ca 0.59 1.07 -0.10 0.00 1.01 0.00 0.00 58.87 61.44 1wgr n SER 85 Cb 0.34 -1.30 -0.09 0.00 -1.01 0.00 0.00 64.21 62.14 1wgr n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgr s ARG 86 N -1.80 1.00 0.32 1.43 1.04 -0.68 -5.01 118.95 115.26 1wgr s ARG 86 Ca 0.61 -1.36 0.07 0.00 -1.04 0.00 0.00 55.73 54.01 1wgr s ARG 86 Cb -0.61 0.29 -0.02 0.00 -2.04 0.00 0.00 34.95 32.57 1wgr s ARG 86 CO 0.58 -0.31 0.42 -0.06 -0.04 0.00 0.00 175.30 175.89 1wgr s PHE 87 N -4.02 3.12 -0.03 5.89 0.08 -1.24 0.66 117.98 122.44 1wgr s PHE 87 Ca 0.22 -0.21 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 1wgr s PHE 87 Cb 0.06 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1wgr s PHE 87 CO 0.01 0.09 0.10 0.08 -0.10 0.00 0.00 175.22 175.41 1wgr s VAL 88 N -2.17 0.03 -0.34 -0.44 1.01 0.50 -0.83 120.40 118.16 1wgr s VAL 88 Ca 0.43 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1wgr s VAL 88 Cb -0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 1wgr s VAL 88 CO 0.30 -0.13 0.20 0.12 0.00 0.00 0.00 175.10 175.59 1wgr s PHE 89 N -0.41 3.21 0.19 5.22 5.36 -1.02 0.13 117.98 130.67 1wgr s PHE 89 Ca -0.05 -0.55 0.02 0.00 -0.96 0.00 0.00 56.93 55.39 1wgr s PHE 89 Cb -0.03 -2.43 -0.05 0.00 -0.34 0.00 0.00 43.02 40.17 1wgr s PHE 89 CO 0.00 -0.48 0.01 1.03 -1.46 0.00 0.00 175.22 174.32 1wgr s ARG 90 N 1.64 1.16 -0.12 10.12 0.52 -1.22 -4.21 118.95 126.84 1wgr s ARG 90 Ca 0.04 -1.57 -0.00 0.00 -0.52 0.00 0.00 55.73 53.69 1wgr s ARG 90 Cb -0.18 -0.32 -0.08 0.00 0.52 0.00 0.00 34.95 34.90 1wgr s ARG 90 CO 0.08 -0.14 -0.11 0.36 0.02 0.00 0.00 175.30 175.51 1wgr n LYS 91 N -0.28 0.30 -3.18 3.54 2.85 -1.26 -1.39 118.16 118.74 1wgr n LYS 91 Ca -0.06 0.08 -0.21 0.00 -1.05 0.00 0.00 58.31 57.06 1wgr n LYS 91 Cb 0.63 -1.20 -0.05 0.00 -0.65 0.00 0.00 35.03 33.76 1wgr n LYS 91 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1wgr n ASN 92 N -2.95 0.36 -4.73 -5.58 0.23 -1.26 -4.65 115.26 96.67 1wgr n ASN 92 Ca -0.22 -2.82 -0.41 0.00 -0.53 0.00 0.00 54.58 50.60 1wgr n ASN 92 Cb 0.72 -0.58 -0.04 0.00 -2.08 0.00 0.00 39.78 37.79 1wgr n ASN 92 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 1wgr s PHE 93 N -1.61 3.77 -0.11 -2.53 -0.12 -1.26 -4.36 117.98 111.76 1wgr s PHE 93 Ca 0.37 1.76 -0.06 0.00 -0.05 0.00 0.00 56.93 58.94 1wgr s PHE 93 Cb 0.24 -3.11 0.01 0.00 -0.63 0.00 0.00 43.02 39.53 1wgr s PHE 93 CO -0.10 0.00 0.11 0.00 -0.05 0.00 0.00 175.22 175.18 1wgr n ALA 94 N 2.51 -2.22 -3.06 1.99 0.00 -1.26 -5.01 120.51 113.46 1wgr n ALA 94 Ca 0.02 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1wgr n ALA 94 Cb 0.48 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 1wgr n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgr s SER 95 N -1.17 -0.13 0.76 0.00 0.15 -1.26 -5.09 113.70 106.96 1wgr s SER 95 Ca 0.06 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1wgr s SER 95 Cb -0.01 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1wgr s SER 95 CO 0.23 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1wgr n GLY 96 N -0.29 1.71 0.08 9.45 0.00 -1.26 -3.59 105.19 111.29 1wgr n GLY 96 Ca -0.08 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1wgr n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgr h PRO 97 N 0.00 -0.05 -0.01 1.61 0.13 -2.05 -3.47 132.00 128.17 1wgr h PRO 97 Ca 0.00 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.41 1wgr h PRO 97 Cb 0.00 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 30.96 1wgr h PRO 97 CO 0.00 0.61 0.11 -1.54 -0.23 0.00 0.00 178.00 176.94 1wgr s SER 98 N -5.85 -0.01 0.59 1.44 1.04 -1.24 -5.15 113.70 104.52 1wgr s SER 98 Ca -0.16 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1wgr s SER 98 Cb -0.01 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.12 1wgr s SER 98 CO 0.60 -0.00 0.00 -0.24 0.98 0.00 0.00 173.24 174.58 1wgr n SER 99 N 5.00 -8.20 0.00 7.02 2.88 -1.25 -5.08 113.62 113.99 1wgr n SER 99 Ca 0.11 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.99 1wgr n SER 99 Cb 0.59 -4.94 0.00 0.00 -0.75 0.00 0.00 64.21 59.11 1wgr n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42