#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 -0.06 0.70 1.61 0.15 -1.26 -5.16 113.70 109.69 1wgr s SER 2 Ca 0.00 -0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.47 1wgr s SER 2 Cb 0.00 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.53 1wgr s SER 2 CO 0.00 -0.01 1.23 -0.55 1.20 0.00 0.00 173.24 175.11 1wgr s SER 3 N 2.12 4.33 0.00 5.45 0.15 -1.26 -4.76 113.70 119.73 1wgr s SER 3 Ca 0.16 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.25 1wgr s SER 3 Cb 0.04 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wgr s SER 3 CO -0.17 -2.18 0.00 0.61 1.20 0.00 0.00 173.24 172.70 1wgr n GLY 4 N 0.55 0.18 2.42 9.45 0.00 -1.26 -5.10 105.19 111.42 1wgr n GLY 4 Ca 0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 1wgr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgr n SER 5 N 0.00 -2.00 -4.53 1.61 7.64 -1.26 -4.94 113.62 110.14 1wgr n SER 5 Ca 0.00 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.58 1wgr n SER 5 Cb 0.00 -4.52 -0.08 0.00 -1.01 0.00 0.00 64.21 58.60 1wgr n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgr s SER 6 N -0.73 6.25 1.05 6.43 0.15 -1.26 -5.05 113.70 120.55 1wgr s SER 6 Ca -0.19 -0.31 -0.19 0.00 0.70 0.00 0.00 55.95 55.96 1wgr s SER 6 Cb 0.01 -2.25 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1wgr s SER 6 CO 0.65 -0.52 -0.32 0.61 1.20 0.00 0.00 173.24 174.86 1wgr n GLY 7 N 4.96 -2.70 3.70 9.45 0.00 -1.26 -4.89 105.19 114.44 1wgr n GLY 7 Ca -0.06 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.06 1.73 0.98 1.61 3.00 -1.26 -5.00 118.95 116.96 1wgr s ARG 8 Ca 0.51 1.76 -0.15 0.00 0.00 0.00 0.00 55.73 57.85 1wgr s ARG 8 Cb -0.09 -1.79 0.18 0.00 0.00 0.00 0.00 34.95 33.25 1wgr s ARG 8 CO 0.68 -2.14 1.17 -1.25 0.00 0.00 0.00 175.30 173.76 1wgr s PRO 9 N -4.10 0.54 -0.35 3.54 0.04 -1.26 -4.98 135.00 128.43 1wgr s PRO 9 Ca 0.73 0.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.79 1wgr s PRO 9 Cb -0.29 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1wgr s PRO 9 CO 0.50 -2.56 0.12 -1.01 0.04 0.00 0.00 177.00 174.08 1wgr s HIS 10 N -3.35 3.34 -0.79 0.56 3.76 0.19 -5.00 115.29 114.00 1wgr s HIS 10 Ca 0.67 -1.78 -0.21 0.00 -0.15 0.00 0.00 55.06 53.59 1wgr s HIS 10 Cb -0.11 -2.52 0.09 0.00 1.11 0.00 0.00 32.58 31.15 1wgr s HIS 10 CO 0.54 -0.82 1.06 0.08 -0.85 0.00 0.00 174.74 174.74 1wgr s VAL 11 N 1.31 4.47 -0.07 -0.90 1.01 -1.26 -1.84 120.40 123.11 1wgr s VAL 11 Ca -0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 1wgr s VAL 11 Cb -0.21 -4.74 -0.02 0.00 0.00 0.00 0.00 36.38 31.40 1wgr s VAL 11 CO 0.00 -1.50 0.89 -0.69 0.00 0.00 0.00 175.10 173.80 1wgr s VAL 12 N 3.53 4.89 -0.46 2.92 1.01 -1.04 -4.89 120.40 126.37 1wgr s VAL 12 Ca 0.28 1.83 -0.17 0.00 0.00 0.00 0.00 61.98 63.91 1wgr s VAL 12 Cb -0.11 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.10 1wgr s VAL 12 CO 0.01 0.12 0.48 -0.54 0.00 0.00 0.00 175.10 175.17 1wgr s LYS 13 N 1.40 3.07 -0.16 2.72 -0.14 -1.26 -1.63 119.74 123.74 1wgr s LYS 13 Ca 0.45 -0.95 -0.06 0.00 -1.36 0.00 0.00 55.97 54.05 1wgr s LYS 13 Cb -0.19 -4.05 -0.04 0.00 -1.68 0.00 0.00 37.83 31.88 1wgr s LYS 13 CO 0.20 -1.00 0.05 0.08 -0.76 0.00 0.00 175.35 173.93 1wgr s VAL 14 N 2.14 4.74 -0.07 3.17 1.01 0.15 -3.60 120.40 127.94 1wgr s VAL 14 Ca 0.11 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1wgr s VAL 14 Cb -0.20 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1wgr s VAL 14 CO 0.11 0.51 -0.11 -0.31 0.00 0.00 0.00 175.10 175.30 1wgr s TYR 15 N -0.03 2.82 0.07 5.22 1.51 0.63 -0.59 117.35 126.97 1wgr s TYR 15 Ca 0.06 -0.17 -0.18 0.00 -1.01 0.00 0.00 57.07 55.77 1wgr s TYR 15 Cb -0.12 -1.70 -0.07 0.00 -0.11 0.00 0.00 41.96 39.96 1wgr s TYR 15 CO 0.01 0.17 0.54 0.45 -1.11 0.00 0.00 175.55 175.61 1wgr s SER 16 N -0.55 6.99 0.32 2.29 0.15 0.13 -1.43 113.70 121.60 1wgr s SER 16 Ca 0.08 1.19 0.09 0.00 0.70 0.00 0.00 55.95 58.00 1wgr s SER 16 Cb -0.12 -2.33 0.92 0.00 -1.71 0.00 0.00 66.02 62.78 1wgr s SER 16 CO 0.02 0.27 1.64 -0.33 1.20 0.00 0.00 173.24 176.03 1wgr h GLU 17 N 4.46 0.22 -0.90 5.44 5.08 -1.87 1.29 114.58 128.29 1wgr h GLU 17 Ca -0.50 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 57.95 1wgr h GLU 17 Cb 1.21 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 1wgr h GLU 17 CO 0.63 0.14 0.54 -0.44 -1.00 0.00 0.00 179.01 178.88 1wgr h ASP 18 N 0.22 0.78 0.00 1.42 3.32 -1.92 -3.46 116.42 116.78 1wgr h ASP 18 Ca 0.66 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.75 1wgr h ASP 18 Cb 1.45 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1wgr h ASP 18 CO -0.67 0.43 0.00 0.61 -1.72 0.00 0.00 179.24 177.89 1wgr n GLY 19 N -1.33 1.33 3.67 2.75 0.00 0.44 -5.10 105.19 106.95 1wgr n GLY 19 Ca 0.16 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.67 1wgr n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgr n ALA 20 N 0.00 0.43 -2.79 4.61 0.00 -1.25 -4.52 120.51 116.99 1wgr n ALA 20 Ca 0.00 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 1wgr n ALA 20 Cb 0.00 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.06 1wgr n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgr s ARG 22 N -1.97 0.80 0.18 0.00 1.70 0.25 -4.98 118.95 114.92 1wgr s ARG 22 Ca 0.25 0.54 0.11 0.00 -0.47 0.00 0.00 55.73 56.17 1wgr s ARG 22 Cb -0.12 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1wgr s ARG 22 CO 0.17 -0.18 -0.24 -1.54 -1.08 0.00 0.00 175.30 172.43 1wgr s SER 23 N -0.40 3.44 0.03 -2.89 1.04 -1.26 0.30 113.70 113.96 1wgr s SER 23 Ca -0.03 -0.84 0.06 0.00 0.48 0.00 0.00 55.95 55.62 1wgr s SER 23 Cb -0.03 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1wgr s SER 23 CO 0.02 0.13 -0.17 0.68 0.98 0.00 0.00 173.24 174.89 1wgr s VAL 24 N -1.58 1.34 -0.55 5.02 -7.23 -0.64 -4.97 120.40 111.79 1wgr s VAL 24 Ca 0.20 -1.02 -0.24 0.00 -1.81 0.00 0.00 61.98 59.11 1wgr s VAL 24 Cb -0.08 -1.18 0.04 0.00 0.56 0.00 0.00 36.38 35.72 1wgr s VAL 24 CO 0.09 0.14 0.95 -1.61 -0.31 0.00 0.00 175.10 174.36 1wgr s GLU 25 N -1.02 3.34 0.26 4.82 2.02 -1.26 -2.49 118.70 124.37 1wgr s GLU 25 Ca 0.05 -0.24 0.06 0.00 0.02 0.00 0.00 54.97 54.85 1wgr s GLU 25 Cb -0.08 -4.05 -0.06 0.00 0.10 0.00 0.00 34.13 30.05 1wgr s GLU 25 CO 0.01 -1.49 -0.04 0.14 0.02 0.00 0.00 175.26 173.90 1wgr s VAL 26 N 3.97 1.43 0.44 2.63 -7.23 -0.77 -4.98 120.40 115.89 1wgr s VAL 26 Ca 0.31 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1wgr s VAL 26 Cb -0.12 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1wgr s VAL 26 CO 0.19 -0.33 0.03 0.00 -0.31 0.00 0.00 175.10 174.69 1wgr s ALA 27 N -3.15 3.38 -1.06 1.32 0.00 -1.26 0.54 121.76 121.52 1wgr s ALA 27 Ca 0.29 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 1wgr s ALA 27 Cb 0.04 0.29 -0.18 0.00 0.00 0.00 0.00 23.12 23.27 1wgr s ALA 27 CO 0.10 -0.15 2.11 0.00 0.00 0.00 0.00 175.76 177.83 1wgr s ALA 28 N -2.95 0.83 0.00 0.00 0.00 -1.26 -2.39 121.76 115.99 1wgr s ALA 28 Ca 0.22 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1wgr s ALA 28 Cb 0.05 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.50 1wgr s ALA 28 CO 0.11 -6.34 0.00 0.41 0.00 0.00 0.00 175.76 169.94 1wgr n GLY 29 N 6.20 -0.44 3.50 0.00 0.00 -1.26 -5.14 105.19 108.05 1wgr n GLY 29 Ca 0.43 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.02 -3.68 4.61 0.00 -1.01 -4.99 120.51 114.42 1wgr n ALA 30 Ca 0.00 0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.42 1wgr n ALA 30 Cb 0.00 -1.87 0.01 0.00 0.00 0.00 0.00 19.45 17.59 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 -0.61 0.00 -0.03 0.00 -2.24 -1.26 -4.16 114.28 105.97 1wgr n THR 31 Ca 0.11 -1.85 0.11 0.00 -2.27 0.00 0.00 64.05 60.16 1wgr n THR 31 Cb 0.38 -0.18 0.52 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.59 2.01 -0.16 6.98 0.00 0.19 -1.18 119.26 127.69 1wgr h ALA 32 Ca -0.29 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1wgr h ALA 32 Cb 1.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1wgr h ALA 32 CO 0.45 -0.12 -0.10 -0.09 0.00 0.00 0.00 179.25 179.39 1wgr h ARG 33 N 0.36 0.35 -0.45 0.00 9.65 -1.76 -3.03 114.38 119.50 1wgr h ARG 33 Ca 0.23 -0.16 0.05 0.00 -1.10 0.00 0.00 59.98 59.00 1wgr h ARG 33 Cb 0.44 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.94 1wgr h ARG 33 CO -0.06 0.69 -0.56 0.45 2.80 0.00 0.00 179.97 183.29 1wgr h HIS 34 N 0.01 -1.73 -0.30 2.20 3.86 -1.53 0.19 115.15 117.85 1wgr h HIS 34 Ca 0.03 0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1wgr h HIS 34 Cb 0.59 0.81 -0.05 0.00 1.06 0.00 0.00 27.41 29.82 1wgr h HIS 34 CO 0.07 -0.48 -0.35 0.28 0.86 0.00 0.00 177.93 178.31 1wgr h VAL 35 N -0.37 0.00 -0.24 2.45 2.07 -1.53 1.54 116.25 120.16 1wgr h VAL 35 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1wgr h VAL 35 Cb 0.58 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1wgr h VAL 35 CO -0.62 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 176.80 1wgr h GLU 37 N -0.03 0.22 0.00 0.00 4.39 0.15 1.93 114.58 121.23 1wgr h GLU 37 Ca 0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1wgr h GLU 37 Cb 0.13 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1wgr h GLU 37 CO -0.25 0.14 0.00 0.52 -1.16 0.00 0.00 179.01 178.27 1wgr h MET 38 N 0.22 0.00 0.00 2.33 2.86 0.68 -1.07 114.93 119.96 1wgr h MET 38 Ca 0.47 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.09 1wgr h MET 38 Cb 0.88 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 1wgr h MET 38 CO -0.60 0.00 -0.75 1.28 1.06 0.00 0.00 176.91 177.90 1wgr n LEU 39 N -2.85 1.86 -0.35 1.22 4.77 0.54 -4.29 117.00 117.91 1wgr n LEU 39 Ca -0.00 0.52 0.24 0.00 -0.03 0.00 0.00 56.01 56.74 1wgr n LEU 39 Cb 0.21 -0.83 0.51 0.00 -2.33 0.00 0.00 43.42 40.98 1wgr n LEU 39 CO 0.22 -0.35 1.20 -0.37 -1.33 0.00 0.00 177.39 176.77 1wgr h VAL 40 N -1.00 0.43 -1.47 4.08 -1.51 0.18 -3.40 116.25 113.56 1wgr h VAL 40 Ca -0.03 -0.13 -0.75 0.00 -1.23 0.00 0.00 66.70 64.56 1wgr h VAL 40 Cb 0.73 0.04 0.02 0.00 -2.13 0.00 0.00 31.29 29.95 1wgr h VAL 40 CO -0.02 0.07 0.74 0.00 -1.23 0.00 0.00 177.57 177.13 1wgr n GLN 41 N -4.73 0.93 0.12 5.19 3.00 -0.41 -4.58 117.38 116.91 1wgr n GLN 41 Ca 0.28 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 1wgr n GLN 41 Cb 0.96 -1.98 0.00 0.00 0.00 0.00 0.00 30.24 29.22 1wgr n GLN 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1wgr n ARG 42 N 4.44 0.00 -3.19 -1.09 0.63 -1.26 -5.01 116.66 111.18 1wgr n ARG 42 Ca 0.25 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.19 1wgr n ARG 42 Cb 0.11 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.01 1wgr n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wgr s ALA 43 N -2.00 -2.25 0.59 5.13 0.00 -1.26 -5.13 121.76 116.84 1wgr s ALA 43 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1wgr s ALA 43 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1wgr s ALA 43 CO 0.00 -2.00 0.00 0.72 0.00 0.00 0.00 175.76 174.48 1wgr n HIS 44 N 4.97 -3.66 0.00 0.00 8.25 -1.26 -5.04 115.22 118.48 1wgr n HIS 44 Ca 0.07 2.02 0.00 0.00 -0.26 0.00 0.00 57.72 59.56 1wgr n HIS 44 Cb 0.55 -3.31 0.00 0.00 1.12 0.00 0.00 29.99 28.34 1wgr n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wgr n ALA 45 N -4.10 0.00 -3.67 -1.41 0.00 -1.26 -4.96 120.51 105.11 1wgr n ALA 45 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1wgr n ALA 45 Cb 0.63 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.96 1wgr n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wgr s LEU 46 N 0.00 -0.23 -0.07 0.00 1.43 -1.26 -5.01 118.68 113.53 1wgr s LEU 46 Ca 0.00 0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1wgr s LEU 46 Cb 0.00 0.82 0.01 0.00 0.03 0.00 0.00 46.19 47.04 1wgr s LEU 46 CO 0.00 -0.23 0.03 -1.20 0.23 0.00 0.00 176.35 175.19 1wgr n SER 47 N 5.14 -6.38 -3.72 2.29 7.64 -1.26 -5.03 113.62 112.30 1wgr n SER 47 Ca -0.10 0.86 -0.12 0.00 1.01 0.00 0.00 58.87 60.51 1wgr n SER 47 Cb 0.50 -2.63 -0.06 0.00 -1.01 0.00 0.00 64.21 61.01 1wgr n SER 47 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1wgr s ASP 48 N -0.76 0.45 0.85 6.43 -4.77 -1.26 -5.14 116.67 112.46 1wgr s ASP 48 Ca -0.04 -1.30 -0.16 0.00 -3.30 0.00 0.00 52.55 47.75 1wgr s ASP 48 Cb 0.00 0.57 -0.11 0.00 -1.09 0.00 0.00 42.92 42.29 1wgr s ASP 48 CO 0.23 -1.12 -0.28 1.21 0.70 0.00 0.00 175.17 175.90 1wgr n GLU 49 N -0.44 0.00 -1.64 2.11 4.07 -1.26 -4.93 120.64 118.56 1wgr n GLU 49 Ca 0.01 0.01 -0.30 0.00 -0.06 0.00 0.00 57.16 56.82 1wgr n GLU 49 Cb 0.63 -1.25 0.09 0.00 -0.06 0.00 0.00 31.44 30.84 1wgr n GLU 49 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1wgr s THR 50 N -2.05 2.98 0.16 6.31 -4.23 -1.26 -5.08 115.64 112.47 1wgr s THR 50 Ca 0.50 0.32 -0.21 0.00 -1.18 0.00 0.00 61.69 61.11 1wgr s THR 50 Cb -0.28 -3.13 0.06 0.00 1.34 0.00 0.00 72.50 70.49 1wgr s THR 50 CO 0.73 -0.42 0.57 0.26 -0.54 0.00 0.00 174.62 175.22 1wgr s TRP 51 N -3.23 -0.44 0.00 3.99 0.52 -1.26 -4.64 118.94 113.87 1wgr s TRP 51 Ca 0.61 0.20 0.00 0.00 0.02 0.00 0.00 56.10 56.92 1wgr s TRP 51 Cb -0.14 0.51 0.00 0.00 -1.15 0.00 0.00 33.47 32.69 1wgr s TRP 51 CO 0.53 -0.85 0.00 0.41 0.02 0.00 0.00 176.95 177.07 1wgr n GLY 52 N -0.35 1.61 3.56 0.98 0.00 -1.09 -4.98 105.19 104.91 1wgr n GLY 52 Ca -0.16 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 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 2.96 -0.14 0.99 1.43 -1.26 -3.48 118.68 119.18 1wgr s LEU 53 Ca 0.00 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1wgr s LEU 53 Cb 0.00 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.53 1wgr s LEU 53 CO 0.00 0.16 -0.01 -0.69 0.23 0.00 0.00 176.35 176.04 1wgr s VAL 54 N -1.32 0.71 -0.20 -1.59 1.01 0.30 -2.31 120.40 117.00 1wgr s VAL 54 Ca 0.22 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 1wgr s VAL 54 Cb -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1wgr s VAL 54 CO 0.13 0.09 0.97 -1.83 0.00 0.00 0.00 175.10 174.47 1wgr s GLU 55 N 1.81 4.28 -0.01 2.72 -1.05 0.38 0.19 118.70 127.02 1wgr s GLU 55 Ca 0.02 1.26 -0.00 0.00 -0.15 0.00 0.00 54.97 56.09 1wgr s GLU 55 Cb -0.15 -3.61 -0.04 0.00 -0.44 0.00 0.00 34.13 29.89 1wgr s GLU 55 CO -0.07 -0.52 0.08 0.00 0.95 0.00 0.00 175.26 175.70 1wgr s HIS 57 N -1.19 3.47 -0.84 0.00 3.76 -0.45 -2.74 115.29 117.29 1wgr s HIS 57 Ca 0.23 -2.63 -0.07 0.00 -0.15 0.00 0.00 55.06 52.44 1wgr s HIS 57 Cb -0.12 -3.19 -0.11 0.00 1.11 0.00 0.00 32.58 30.27 1wgr s HIS 57 CO 0.14 -0.89 2.59 -0.35 -0.85 0.00 0.00 174.74 175.38 1wgr n PRO 58 N 3.88 2.38 0.00 8.40 -0.04 -1.26 -1.11 135.00 147.25 1wgr n PRO 58 Ca 0.04 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 1wgr n PRO 58 Cb 0.39 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 3.53 -0.26 0.88 0.54 1.44 -1.26 -4.86 115.22 115.22 1wgr n HIS 59 Ca 0.51 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.32 1wgr n HIS 59 Cb 0.33 0.05 0.05 0.00 0.12 0.00 0.00 29.99 30.54 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 -1.32 2.35 -3.68 2.39 4.77 -1.07 -4.97 117.00 115.46 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 0.41 0.01 0.00 -1.33 0.00 0.00 177.39 176.48 1wgr n ALA 61 N 0.61 -1.87 -2.56 -1.18 0.00 -0.27 -4.99 120.51 110.26 1wgr n ALA 61 Ca 0.10 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 1wgr n ALA 61 Cb 0.48 -2.60 -0.08 0.00 0.00 0.00 0.00 19.45 17.24 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 -6.75 2.97 -0.22 0.00 1.98 -1.20 -4.98 118.68 110.49 1wgr s LEU 62 Ca 0.13 -0.87 -0.04 0.00 -2.89 0.00 0.00 54.13 50.46 1wgr s LEU 62 Cb -0.06 -1.43 0.10 0.00 0.66 0.00 0.00 46.19 45.46 1wgr s LEU 62 CO 0.80 -0.09 0.23 -1.61 -1.89 0.00 0.00 176.35 173.79 1wgr s GLU 63 N -3.65 0.21 0.13 1.98 8.01 -1.26 -1.34 118.70 122.77 1wgr s GLU 63 Ca 0.32 0.14 0.10 0.00 0.01 0.00 0.00 54.97 55.55 1wgr s GLU 63 Cb -0.04 -1.14 -0.04 0.00 -4.31 0.00 0.00 34.13 28.60 1wgr s GLU 63 CO 0.19 -0.71 -0.21 0.50 0.01 0.00 0.00 175.26 175.04 1wgr s ARG 64 N 2.32 1.66 -0.07 1.61 6.06 0.09 -4.98 118.95 125.64 1wgr s ARG 64 Ca 0.07 -1.28 0.03 0.00 -2.50 0.00 0.00 55.73 52.06 1wgr s ARG 64 Cb -0.16 -2.02 -0.02 0.00 0.06 0.00 0.00 34.95 32.82 1wgr s ARG 64 CO -0.15 0.46 -0.17 0.20 -2.50 0.00 0.00 175.30 173.13 1wgr s GLY 65 N -2.23 1.46 0.18 8.12 0.00 -1.26 0.14 107.32 113.73 1wgr s GLY 65 Ca 0.18 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 43.99 1wgr s GLY 65 CO 0.09 -0.59 0.03 0.48 0.00 0.00 0.00 173.10 173.11 1wgr s LEU 66 N -0.28 3.41 0.00 0.66 2.34 -0.98 -4.95 118.68 118.88 1wgr s LEU 66 Ca 0.01 -0.36 -0.15 0.00 0.06 0.00 0.00 54.13 53.70 1wgr s LEU 66 Cb -0.13 -2.05 0.20 0.00 -0.56 0.00 0.00 46.19 43.66 1wgr s LEU 66 CO 0.03 0.08 1.19 -0.62 -1.06 0.00 0.00 176.35 175.96 1wgr n GLU 67 N -0.24 -1.17 0.15 1.48 1.02 -1.26 -4.03 120.64 116.59 1wgr n GLU 67 Ca -0.09 -1.83 -0.13 0.00 -0.02 0.00 0.00 57.16 55.09 1wgr n GLU 67 Cb 0.55 -1.22 -0.08 0.00 -0.02 0.00 0.00 31.44 30.67 1wgr n GLU 67 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1wgr h ASP 68 N -1.57 -0.34 -0.88 1.62 2.03 -1.93 -3.12 116.42 112.23 1wgr h ASP 68 Ca -0.38 -0.19 0.23 0.00 -0.73 0.00 0.00 57.03 55.95 1wgr h ASP 68 Cb 1.06 0.09 -0.16 0.00 -0.83 0.00 0.00 39.33 39.49 1wgr h ASP 68 CO 0.27 0.06 0.06 1.12 -1.03 0.00 0.00 179.24 179.72 1wgr h HIS 69 N -0.81 0.03 -1.31 4.15 2.07 -1.96 -1.34 115.15 115.97 1wgr h HIS 69 Ca -0.04 0.06 -0.73 0.00 -2.85 0.00 0.00 60.37 56.81 1wgr h HIS 69 Cb 0.51 0.13 0.06 0.00 2.57 0.00 0.00 27.41 30.68 1wgr h HIS 69 CO 0.03 -0.32 0.18 0.39 -3.07 0.00 0.00 177.93 175.14 1wgr n GLU 70 N -5.38 0.49 -3.05 5.12 -0.58 -1.18 -4.52 120.64 111.54 1wgr n GLU 70 Ca 0.19 0.18 -0.42 0.00 -0.42 0.00 0.00 57.16 56.69 1wgr n GLU 70 Cb 0.64 -1.70 -0.06 0.00 -0.57 0.00 0.00 31.44 29.75 1wgr n GLU 70 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wgr s SER 71 N 0.10 6.44 0.31 1.62 0.01 -1.26 0.10 113.70 121.03 1wgr s SER 71 Ca 0.86 0.10 0.07 0.00 1.31 0.00 0.00 55.95 58.28 1wgr s SER 71 Cb -1.11 -2.35 0.85 0.00 0.21 0.00 0.00 66.02 63.62 1wgr s SER 71 CO 0.53 -0.71 1.68 -0.37 0.41 0.00 0.00 173.24 174.78 1wgr h VAL 72 N 5.77 0.40 0.73 3.43 -1.51 -1.81 0.98 116.25 124.25 1wgr h VAL 72 Ca -0.26 -0.13 -0.04 0.00 -1.23 0.00 0.00 66.70 65.05 1wgr h VAL 72 Cb 1.10 0.00 0.01 0.00 -2.13 0.00 0.00 31.29 30.27 1wgr h VAL 72 CO 0.88 0.07 -0.35 0.58 -1.23 0.00 0.00 177.57 177.52 1wgr h VAL 73 N 0.37 0.04 -1.00 7.19 2.07 -1.91 1.55 116.25 124.56 1wgr h VAL 73 Ca 0.62 -0.27 0.21 0.00 0.82 0.00 0.00 66.70 68.08 1wgr h VAL 73 Cb 1.27 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1wgr h VAL 73 CO -0.57 0.01 0.62 -0.33 0.02 0.00 0.00 177.57 177.31 1wgr h GLU 74 N -1.24 0.63 0.00 1.57 4.39 -1.43 1.62 114.58 120.12 1wgr h GLU 74 Ca -0.10 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.37 1wgr h GLU 74 Cb 0.76 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1wgr h GLU 74 CO 0.16 0.41 -0.90 0.28 -1.16 0.00 0.00 179.01 177.81 1wgr h VAL 75 N 0.65 1.61 -0.01 3.13 2.07 0.11 -2.38 116.25 121.43 1wgr h VAL 75 Ca 0.58 -3.10 -0.17 0.00 0.82 0.00 0.00 66.70 64.83 1wgr h VAL 75 Cb 1.07 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 1wgr h VAL 75 CO -0.37 0.88 -0.78 -0.61 0.02 0.00 0.00 177.57 176.71 1wgr h GLN 76 N 0.00 0.11 -0.06 1.57 4.15 0.80 -2.86 115.11 118.82 1wgr h GLN 76 Ca -0.01 -0.11 -0.22 0.00 0.77 0.00 0.00 58.65 59.08 1wgr h GLN 76 Cb 1.62 0.03 0.01 0.00 0.21 0.00 0.00 27.48 29.34 1wgr h GLN 76 CO 0.12 0.84 -0.86 0.00 -1.93 0.00 0.00 178.83 176.99 1wgr h ALA 77 N 1.13 0.37 -0.70 3.38 0.00 0.20 -3.08 119.26 120.56 1wgr h ALA 77 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1wgr h ALA 77 Cb 1.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1wgr h ALA 77 CO 0.11 0.75 0.44 0.00 0.00 0.00 0.00 179.25 180.55 1wgr h ALA 78 N 0.69 1.46 -1.84 0.00 0.00 -1.38 -3.43 119.26 114.76 1wgr h ALA 78 Ca -0.07 -0.07 -0.62 0.00 0.00 0.00 0.00 54.91 54.16 1wgr h ALA 78 Cb 1.48 -0.29 0.13 0.00 0.00 0.00 0.00 17.79 19.12 1wgr h ALA 78 CO 0.16 0.49 -0.28 0.91 0.00 0.00 0.00 179.25 180.53 1wgr n TRP 79 N -4.41 -0.00 -1.55 0.00 8.01 -1.09 -4.92 117.44 113.48 1wgr n TRP 79 Ca 0.07 0.69 -0.30 0.00 -1.31 0.00 0.00 57.50 56.66 1wgr n TRP 79 Cb 0.05 -2.06 0.08 0.00 -2.01 0.00 0.00 31.31 27.38 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 -1.47 2.26 -0.21 -0.99 0.04 -1.26 -5.00 135.00 128.36 1wgr s PRO 80 Ca 0.62 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.11 1wgr s PRO 80 Cb -0.69 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1wgr s PRO 80 CO 0.58 -1.52 0.88 0.54 0.04 0.00 0.00 177.00 177.52 1wgr s VAL 81 N -3.13 4.82 0.00 -0.36 0.11 -1.26 -3.47 120.40 117.11 1wgr s VAL 81 Ca 0.60 1.69 0.00 0.00 -2.93 0.00 0.00 61.98 61.34 1wgr s VAL 81 Cb -0.14 -4.17 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 1wgr s VAL 81 CO 0.54 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 1wgr n GLY 82 N 3.56 2.42 0.50 6.54 0.00 -1.26 -4.91 105.19 112.04 1wgr n GLY 82 Ca 0.07 -0.49 0.34 0.00 0.00 0.00 0.00 46.02 45.93 1wgr n GLY 82 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wgr h GLY 83 N 0.00 0.75 -3.18 -0.02 0.00 -1.94 -3.44 103.07 95.25 1wgr h GLY 83 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 47.33 46.83 1wgr h GLY 83 CO 0.00 -0.16 -0.53 1.22 0.00 0.00 0.00 176.54 177.08 1wgr n ASP 84 N -4.44 -5.79 -4.63 0.19 8.00 -1.26 -4.09 116.55 104.53 1wgr n ASP 84 Ca 0.31 -0.02 -0.34 0.00 0.71 0.00 0.00 54.79 55.44 1wgr n ASP 84 Cb 1.27 -4.82 0.11 0.00 -0.02 0.00 0.00 41.12 37.67 1wgr n ASP 84 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wgr n SER 85 N -2.04 0.43 -3.13 -2.24 7.64 -1.26 -4.65 113.62 108.38 1wgr n SER 85 Ca -0.23 0.60 -0.19 0.00 1.01 0.00 0.00 58.87 60.06 1wgr n SER 85 Cb 0.68 -1.43 -0.07 0.00 -1.01 0.00 0.00 64.21 62.38 1wgr n SER 85 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1wgr n ARG 86 N -2.45 0.40 -4.50 1.43 -4.01 -1.11 -5.01 116.66 101.41 1wgr n ARG 86 Ca 0.13 -3.10 -0.33 0.00 -1.04 0.00 0.00 57.85 53.51 1wgr n ARG 86 Cb 0.50 2.46 -0.16 0.00 -3.04 0.00 0.00 32.46 32.22 1wgr n ARG 86 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 1wgr s PHE 87 N -3.23 2.75 0.10 2.89 0.08 -1.24 -2.11 117.98 117.22 1wgr s PHE 87 Ca 0.35 -1.23 0.03 0.00 0.12 0.00 0.00 56.93 56.20 1wgr s PHE 87 Cb 0.02 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 1wgr s PHE 87 CO 0.25 -0.57 0.13 0.08 -0.10 0.00 0.00 175.22 175.00 1wgr s VAL 88 N 0.91 4.72 -0.28 -0.44 1.01 0.50 -0.27 120.40 126.56 1wgr s VAL 88 Ca -0.04 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1wgr s VAL 88 Cb -0.15 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1wgr s VAL 88 CO -0.03 0.07 0.02 0.12 0.00 0.00 0.00 175.10 175.29 1wgr s PHE 89 N -1.50 3.13 0.06 5.22 5.36 -0.51 0.11 117.98 129.85 1wgr s PHE 89 Ca 0.31 -1.28 0.03 0.00 -0.96 0.00 0.00 56.93 55.02 1wgr s PHE 89 Cb -0.12 -2.17 -0.03 0.00 -0.34 0.00 0.00 43.02 40.37 1wgr s PHE 89 CO 0.24 -0.66 -0.09 1.03 -1.46 0.00 0.00 175.22 174.28 1wgr s ARG 90 N 1.41 0.64 -0.06 10.12 0.52 -1.23 -3.88 118.95 126.47 1wgr s ARG 90 Ca 0.01 -0.90 0.13 0.00 -0.52 0.00 0.00 55.73 54.45 1wgr s ARG 90 Cb -0.17 -0.37 -0.20 0.00 0.52 0.00 0.00 34.95 34.73 1wgr s ARG 90 CO -0.01 0.06 0.21 0.36 0.02 0.00 0.00 175.30 175.94 1wgr n LYS 91 N 1.13 0.99 -3.15 3.54 2.85 -1.26 -2.68 118.16 119.58 1wgr n LYS 91 Ca -0.20 -0.08 -0.22 0.00 -1.05 0.00 0.00 58.31 56.76 1wgr n LYS 91 Cb 0.56 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.56 1wgr n LYS 91 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1wgr n ASN 92 N -2.19 1.70 -4.75 -5.58 2.85 -1.26 -4.65 115.26 101.38 1wgr n ASN 92 Ca -0.10 -3.13 -0.36 0.00 -0.11 0.00 0.00 54.58 50.88 1wgr n ASN 92 Cb 0.59 -0.61 -0.07 0.00 1.24 0.00 0.00 39.78 40.93 1wgr n ASN 92 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1wgr s PHE 93 N -2.44 3.49 0.35 1.20 5.36 -1.26 -4.87 117.98 119.81 1wgr s PHE 93 Ca 0.41 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 1wgr s PHE 93 Cb 0.29 -2.29 0.00 0.00 -0.34 0.00 0.00 43.02 40.68 1wgr s PHE 93 CO -0.09 0.32 0.00 0.00 -1.46 0.00 0.00 175.22 173.99 1wgr n ALA 94 N 3.27 -2.13 -1.59 11.12 0.00 -1.26 -4.97 120.51 124.95 1wgr n ALA 94 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1wgr n ALA 94 Cb 0.52 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1wgr n ALA 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wgr n SER 95 N 0.30 -8.57 -0.86 0.00 7.64 -1.26 -5.02 113.62 105.84 1wgr n SER 95 Ca 0.00 1.49 0.00 0.00 1.01 0.00 0.00 58.87 61.37 1wgr n SER 95 Cb 0.00 -4.93 0.00 0.00 -1.01 0.00 0.00 64.21 58.27 1wgr n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgr n GLY 96 N -1.54 1.28 3.77 0.23 0.00 -1.26 -5.00 105.19 102.67 1wgr n GLY 96 Ca 0.00 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 1wgr n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgr s PRO 97 N 1.73 4.36 -0.11 1.61 0.04 -1.26 -4.58 135.00 136.79 1wgr s PRO 97 Ca 0.00 1.62 -0.08 0.00 0.04 0.00 0.00 61.00 62.59 1wgr s PRO 97 Cb 0.00 -2.80 0.03 0.00 0.04 0.00 0.00 34.50 31.77 1wgr s PRO 97 CO 0.00 0.01 0.15 0.45 0.04 0.00 0.00 177.00 177.65 1wgr n SER 98 N 0.44 -2.74 -0.06 6.66 2.88 -1.26 -5.00 113.62 114.54 1wgr n SER 98 Ca 0.03 1.24 -0.03 0.00 -1.33 0.00 0.00 58.87 58.77 1wgr n SER 98 Cb 0.48 -4.52 -0.02 0.00 -0.75 0.00 0.00 64.21 59.40 1wgr n SER 98 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wgr h SER 99 N 3.42 0.00 -0.02 -3.46 0.87 -1.99 -3.52 113.55 108.85 1wgr h SER 99 Ca -0.34 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1wgr h SER 99 Cb 0.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1wgr h SER 99 CO 0.01 0.66 0.00 0.61 -0.53 0.00 0.00 176.83 177.57