#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgr n SER 2 N 0.00 0.21 0.05 1.61 2.88 -1.26 -5.03 113.62 112.08 1wgr n SER 2 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1wgr n SER 2 Cb 0.00 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1wgr n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wgr n SER 3 N -3.36 0.82 -0.18 -3.46 3.41 -1.26 -5.13 113.62 104.45 1wgr n SER 3 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1wgr n SER 3 Cb 0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1wgr n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgr n GLY 4 N 3.22 -2.96 0.16 5.00 0.00 -1.26 -4.58 105.19 104.77 1wgr n GLY 4 Ca 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 1wgr n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wgr h SER 5 N 0.03 -0.26 -3.53 1.61 0.87 -2.01 -3.41 113.55 106.85 1wgr h SER 5 Ca 0.00 -0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 1wgr h SER 5 Cb 0.11 0.07 -0.41 0.00 -0.44 0.00 0.00 62.40 61.72 1wgr h SER 5 CO 0.00 0.21 -0.62 -0.55 -0.53 0.00 0.00 176.83 175.34 1wgr s SER 6 N -5.21 4.45 0.00 6.23 0.15 -1.26 -4.96 113.70 113.10 1wgr s SER 6 Ca -0.05 -3.47 0.00 0.00 0.70 0.00 0.00 55.95 53.13 1wgr s SER 6 Cb 0.00 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1wgr s SER 6 CO 0.14 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1wgr n GLY 7 N 2.47 2.80 3.79 9.45 0.00 -1.26 -5.16 105.19 117.29 1wgr n GLY 7 Ca 0.15 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 1.83 2.82 0.89 1.61 0.52 -1.26 -5.12 118.95 120.24 1wgr s ARG 8 Ca 0.00 -1.04 -0.12 0.00 -0.52 0.00 0.00 55.73 54.05 1wgr s ARG 8 Cb 0.00 -2.53 0.13 0.00 0.52 0.00 0.00 34.95 33.06 1wgr s ARG 8 CO 0.00 0.43 1.13 -1.25 0.02 0.00 0.00 175.30 175.63 1wgr s PRO 9 N -3.52 1.30 -0.38 3.54 0.04 -1.26 -4.94 135.00 129.77 1wgr s PRO 9 Ca 0.32 0.35 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 1wgr s PRO 9 Cb -0.09 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1wgr s PRO 9 CO 0.23 -2.10 0.21 -1.01 0.04 0.00 0.00 177.00 174.37 1wgr s HIS 10 N -3.26 3.25 -0.83 0.56 3.76 0.33 -4.97 115.29 114.13 1wgr s HIS 10 Ca 0.63 -1.02 -0.21 0.00 -0.15 0.00 0.00 55.06 54.32 1wgr s HIS 10 Cb -0.15 -2.46 0.10 0.00 1.11 0.00 0.00 32.58 31.19 1wgr s HIS 10 CO 0.53 -0.67 1.09 0.08 -0.85 0.00 0.00 174.74 174.93 1wgr s VAL 11 N 1.54 4.51 0.05 -0.90 1.01 -1.26 -1.96 120.40 123.38 1wgr s VAL 11 Ca 0.02 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1wgr s VAL 11 Cb -0.19 -4.77 -0.05 0.00 0.00 0.00 0.00 36.38 31.37 1wgr s VAL 11 CO 0.06 -1.52 1.17 -0.69 0.00 0.00 0.00 175.10 174.12 1wgr s VAL 12 N 3.41 4.17 -0.48 2.92 1.01 -0.99 -4.87 120.40 125.56 1wgr s VAL 12 Ca 0.30 1.55 -0.12 0.00 0.00 0.00 0.00 61.98 63.71 1wgr s VAL 12 Cb -0.09 -3.99 0.11 0.00 0.00 0.00 0.00 36.38 32.40 1wgr s VAL 12 CO -0.02 0.11 0.37 -0.54 0.00 0.00 0.00 175.10 175.03 1wgr s LYS 13 N 1.12 2.71 -0.20 2.72 1.02 -1.26 -1.62 119.74 124.23 1wgr s LYS 13 Ca 0.58 -1.62 -0.14 0.00 0.02 0.00 0.00 55.97 54.80 1wgr s LYS 13 Cb -0.28 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 32.96 1wgr s LYS 13 CO 0.29 -1.15 0.32 0.08 -0.92 0.00 0.00 175.35 173.97 1wgr s VAL 14 N 1.48 5.26 -0.05 3.17 1.01 0.29 -4.01 120.40 127.55 1wgr s VAL 14 Ca 0.04 0.56 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 1wgr s VAL 14 Cb -0.26 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1wgr s VAL 14 CO 0.02 0.30 0.20 -0.31 0.00 0.00 0.00 175.10 175.31 1wgr s TYR 15 N 1.05 3.59 0.04 5.22 1.51 -0.25 0.22 117.35 128.73 1wgr s TYR 15 Ca 0.16 0.52 0.01 0.00 -1.01 0.00 0.00 57.07 56.74 1wgr s TYR 15 Cb -0.14 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1wgr s TYR 15 CO 0.06 0.68 0.13 -1.54 -1.11 0.00 0.00 175.55 173.77 1wgr s SER 16 N -1.44 5.90 0.26 2.29 1.04 -0.80 -2.70 113.70 118.25 1wgr s SER 16 Ca 0.22 0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.71 1wgr s SER 16 Cb -0.13 -1.72 0.42 0.00 0.10 0.00 0.00 66.02 64.69 1wgr s SER 16 CO 0.11 0.21 1.58 -0.33 0.98 0.00 0.00 173.24 175.80 1wgr h GLU 17 N 3.52 0.01 -0.78 4.02 5.08 -1.90 1.18 114.58 125.71 1wgr h GLU 17 Ca -0.47 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.01 1wgr h GLU 17 Cb 1.17 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 1wgr h GLU 17 CO 0.68 0.00 0.39 0.22 -1.00 0.00 0.00 179.01 179.30 1wgr h ASP 18 N 0.01 0.47 0.00 1.42 3.58 -1.98 -3.46 116.42 116.47 1wgr h ASP 18 Ca 0.44 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.97 1wgr h ASP 18 Cb 0.70 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1wgr h ASP 18 CO -0.89 0.23 0.00 0.61 -2.88 0.00 0.00 179.24 176.31 1wgr n GLY 19 N -1.32 1.27 3.55 -0.78 0.00 0.41 -5.09 105.19 103.23 1wgr n GLY 19 Ca 0.14 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.62 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 0.47 -2.67 4.61 0.00 -1.26 -4.44 120.51 117.23 1wgr n ALA 20 Ca 0.00 0.17 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 1wgr n ALA 20 Cb 0.00 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.04 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 1.95 1.68 0.12 0.00 0.52 0.13 -4.98 118.95 118.37 1wgr s ARG 22 Ca 0.33 -1.21 0.08 0.00 -0.52 0.00 0.00 55.73 54.41 1wgr s ARG 22 Cb -0.16 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 1wgr s ARG 22 CO 0.11 0.48 -0.20 -1.54 0.02 0.00 0.00 175.30 174.17 1wgr s SER 23 N -1.95 2.63 -0.01 0.23 1.04 -1.26 0.11 113.70 114.49 1wgr s SER 23 Ca 0.16 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1wgr s SER 23 Cb -0.10 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.88 1wgr s SER 23 CO 0.07 0.04 0.00 0.68 0.98 0.00 0.00 173.24 175.02 1wgr s VAL 24 N -1.41 0.02 -0.24 5.02 -7.23 -0.64 -4.97 120.40 110.94 1wgr s VAL 24 Ca 0.10 0.05 -0.28 0.00 -1.81 0.00 0.00 61.98 60.03 1wgr s VAL 24 Cb -0.09 -0.06 0.01 0.00 0.56 0.00 0.00 36.38 36.80 1wgr s VAL 24 CO 0.05 0.04 1.01 -1.61 -0.31 0.00 0.00 175.10 174.28 1wgr s GLU 25 N 0.33 4.23 0.28 4.82 2.02 -1.26 -2.35 118.70 126.77 1wgr s GLU 25 Ca -0.03 1.27 -0.03 0.00 0.02 0.00 0.00 54.97 56.20 1wgr s GLU 25 Cb -0.04 -3.65 -0.01 0.00 0.10 0.00 0.00 34.13 30.53 1wgr s GLU 25 CO -0.01 -0.63 0.37 0.14 0.02 0.00 0.00 175.26 175.14 1wgr s VAL 26 N 3.18 0.00 0.37 2.63 -7.23 -0.83 -5.01 120.40 113.51 1wgr s VAL 26 Ca 0.43 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 1wgr s VAL 26 Cb -0.15 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1wgr s VAL 26 CO 0.07 0.00 0.12 0.00 -0.31 0.00 0.00 175.10 174.98 1wgr s ALA 27 N -3.60 2.64 -0.72 1.32 0.00 -1.26 0.12 121.76 120.26 1wgr s ALA 27 Ca 0.32 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 1wgr s ALA 27 Cb 0.02 0.80 -0.13 0.00 0.00 0.00 0.00 23.12 23.81 1wgr s ALA 27 CO 0.17 -0.36 1.91 0.00 0.00 0.00 0.00 175.76 177.47 1wgr n ALA 28 N -0.81 3.49 0.00 0.00 0.00 -1.26 -2.46 120.51 119.48 1wgr n ALA 28 Ca -0.04 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1wgr n ALA 28 Cb 0.65 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.75 1wgr n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wgr n GLY 29 N 4.26 -0.12 3.35 0.00 0.00 -1.26 -5.10 105.19 106.33 1wgr n GLY 29 Ca 0.45 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.75 -2.80 -4.53 4.61 0.00 -1.03 -4.95 120.51 110.06 1wgr n ALA 30 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.72 1wgr n ALA 30 Cb 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 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 -2.94 0.00 0.37 0.00 -2.24 -1.26 -4.03 114.28 104.18 1wgr n THR 31 Ca 0.06 -1.75 0.05 0.00 -2.27 0.00 0.00 64.05 60.14 1wgr n THR 31 Cb 0.53 0.37 0.23 0.00 -2.10 0.00 0.00 70.33 69.35 1wgr n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wgr n ALA 32 N -1.81 1.49 0.03 6.98 0.00 0.29 -2.00 120.51 125.50 1wgr n ALA 32 Ca -0.15 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 1wgr n ALA 32 Cb 0.47 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 1wgr n ALA 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wgr h ARG 33 N 0.00 0.30 0.55 0.00 9.65 -1.79 -3.16 114.38 119.94 1wgr h ARG 33 Ca 0.00 -0.52 -0.02 0.00 -1.10 0.00 0.00 59.98 58.34 1wgr h ARG 33 Cb 0.18 0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 1wgr h ARG 33 CO 0.00 1.25 -0.50 0.45 2.80 0.00 0.00 179.97 183.97 1wgr h HIS 34 N -0.10 -1.37 0.01 2.20 3.86 -1.72 0.18 115.15 118.21 1wgr h HIS 34 Ca -0.34 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 58.89 1wgr h HIS 34 Cb 1.92 0.52 -0.04 0.00 1.06 0.00 0.00 27.41 30.88 1wgr h HIS 34 CO 0.11 -0.68 -0.39 0.28 0.86 0.00 0.00 177.93 178.12 1wgr h VAL 35 N -1.03 0.00 -0.97 2.45 2.07 -1.72 1.70 116.25 118.75 1wgr h VAL 35 Ca -0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.59 1wgr h VAL 35 Cb 0.88 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.51 1wgr h VAL 35 CO -0.03 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.12 1wgr h GLU 37 N -0.01 0.76 -0.07 0.00 4.39 0.44 0.68 114.58 120.76 1wgr h GLU 37 Ca 0.29 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1wgr h GLU 37 Cb 0.55 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1wgr h GLU 37 CO -0.96 0.50 -0.04 0.52 -1.16 0.00 0.00 179.01 177.87 1wgr h MET 38 N 0.78 0.10 0.00 2.33 2.86 1.05 0.12 114.93 122.16 1wgr h MET 38 Ca 0.22 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1wgr h MET 38 Cb -0.07 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1wgr h MET 38 CO -0.06 0.14 -0.06 -0.07 1.06 0.00 0.00 176.91 177.93 1wgr h LEU 39 N 0.10 0.00 -0.91 1.22 3.38 0.31 -3.36 115.31 116.05 1wgr h LEU 39 Ca 0.02 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.23 1wgr h LEU 39 Cb 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.72 1wgr h LEU 39 CO 0.01 0.29 0.05 -0.37 0.09 0.00 0.00 178.44 178.50 1wgr h VAL 40 N -0.52 0.15 -1.63 1.22 -1.51 0.33 -3.31 116.25 110.99 1wgr h VAL 40 Ca 0.00 -0.02 -0.43 0.00 -1.23 0.00 0.00 66.70 65.01 1wgr h VAL 40 Cb 0.06 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 29.27 1wgr h VAL 40 CO 0.00 0.01 1.28 -1.10 -1.23 0.00 0.00 177.57 176.53 1wgr s GLN 41 N -6.03 2.40 0.00 5.19 -0.21 0.40 -4.45 119.66 116.97 1wgr s GLN 41 Ca -0.13 0.72 0.00 0.00 0.02 0.00 0.00 55.36 55.97 1wgr s GLN 41 Cb 0.27 -4.55 0.00 0.00 1.00 0.00 0.00 33.01 29.73 1wgr s GLN 41 CO 0.77 -3.07 0.00 0.54 -2.12 0.00 0.00 175.29 171.41 1wgr n ARG 42 N 9.08 0.00 0.01 2.91 5.12 -1.25 -4.85 116.66 127.67 1wgr n ARG 42 Ca 0.29 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 56.18 1wgr n ARG 42 Cb 0.52 -0.18 -0.01 0.00 -1.16 0.00 0.00 32.46 31.63 1wgr n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wgr n ALA 43 N -2.45 2.33 -3.44 7.54 0.00 -1.26 -5.12 120.51 118.11 1wgr n ALA 43 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 1wgr n ALA 43 Cb 0.10 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 1wgr n ALA 43 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1wgr s HIS 44 N -2.28 -0.56 -0.22 0.00 -3.43 -1.26 -5.17 115.29 102.37 1wgr s HIS 44 Ca -0.09 0.49 -0.11 0.00 -0.80 0.00 0.00 55.06 54.55 1wgr s HIS 44 Cb 0.01 0.53 0.07 0.00 -1.43 0.00 0.00 32.58 31.76 1wgr s HIS 44 CO 0.14 -0.79 0.52 0.00 -2.00 0.00 0.00 174.74 172.61 1wgr s ALA 45 N -3.20 -1.41 -0.41 -1.38 0.00 -1.26 -4.89 121.76 109.20 1wgr s ALA 45 Ca -0.01 1.89 0.04 0.00 0.00 0.00 0.00 51.96 53.88 1wgr s ALA 45 Cb -0.01 -1.19 0.17 0.00 0.00 0.00 0.00 23.12 22.09 1wgr s ALA 45 CO -0.08 -0.39 0.37 -1.17 0.00 0.00 0.00 175.76 174.49 1wgr s LEU 46 N 1.68 1.01 -0.00 0.00 0.20 -1.26 -5.01 118.68 115.29 1wgr s LEU 46 Ca -0.09 -2.79 -0.00 0.00 0.69 0.00 0.00 54.13 51.94 1wgr s LEU 46 Cb -0.08 -0.16 0.00 0.00 -0.43 0.00 0.00 46.19 45.53 1wgr s LEU 46 CO -0.16 -0.18 0.00 -1.20 -0.29 0.00 0.00 176.35 174.53 1wgr n SER 47 N 3.03 -6.66 0.00 3.68 7.64 -1.26 -5.00 113.62 115.05 1wgr n SER 47 Ca 0.26 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1wgr n SER 47 Cb 0.48 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1wgr n SER 47 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1wgr n ASP 48 N 1.39 0.00 -2.71 6.43 5.75 -1.26 -5.09 116.55 121.06 1wgr n ASP 48 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1wgr n ASP 48 Cb 0.45 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.54 1wgr n ASP 48 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1wgr n GLU 49 N -0.11 -3.69 -0.03 0.11 1.02 -1.26 -4.94 120.64 111.74 1wgr n GLU 49 Ca 0.00 2.91 -0.13 0.00 -0.02 0.00 0.00 57.16 59.92 1wgr n GLU 49 Cb 0.00 -5.35 -0.09 0.00 -0.02 0.00 0.00 31.44 25.98 1wgr n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wgr h THR 50 N 3.23 1.38 -2.96 2.62 1.03 -2.01 -3.50 112.91 112.71 1wgr h THR 50 Ca -0.08 -1.27 0.34 0.00 -0.01 0.00 0.00 66.41 65.38 1wgr h THR 50 Cb 0.20 2.09 -0.12 0.00 -1.07 0.00 0.00 68.15 69.25 1wgr h THR 50 CO 0.09 0.35 -0.70 0.79 -0.01 0.00 0.00 175.52 176.04 1wgr n TRP 51 N -4.71 -3.32 -3.25 0.00 7.02 -1.26 -4.85 117.44 107.07 1wgr n TRP 51 Ca -0.08 1.71 0.00 0.00 -1.02 0.00 0.00 57.50 58.12 1wgr n TRP 51 Cb 0.31 -3.01 0.00 0.00 -2.42 0.00 0.00 31.31 26.19 1wgr n TRP 51 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wgr n GLY 52 N -4.05 1.58 3.68 6.99 0.00 -1.25 -5.03 105.19 107.11 1wgr n GLY 52 Ca -0.02 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 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 3.39 -0.12 0.99 1.43 -1.26 -3.91 118.68 119.21 1wgr s LEU 53 Ca 0.00 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1wgr s LEU 53 Cb 0.00 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.21 1wgr s LEU 53 CO 0.00 0.11 0.11 -0.69 0.23 0.00 0.00 176.35 176.10 1wgr s VAL 54 N -1.63 -0.15 -0.19 -1.59 1.01 -0.25 -2.72 120.40 114.88 1wgr s VAL 54 Ca 0.27 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1wgr s VAL 54 Cb -0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1wgr s VAL 54 CO 0.19 -0.06 1.41 -1.83 0.00 0.00 0.00 175.10 174.82 1wgr s GLU 55 N 2.20 4.06 -0.06 2.72 -1.05 0.26 0.11 118.70 126.94 1wgr s GLU 55 Ca 0.04 1.66 -0.04 0.00 -0.15 0.00 0.00 54.97 56.48 1wgr s GLU 55 Cb -0.14 -3.89 -0.04 0.00 -0.44 0.00 0.00 34.13 29.62 1wgr s GLU 55 CO -0.07 -0.95 0.15 0.00 0.95 0.00 0.00 175.26 175.34 1wgr s HIS 57 N -1.17 3.49 -0.83 0.00 3.76 -0.70 -0.58 115.29 119.26 1wgr s HIS 57 Ca 0.21 -2.59 -0.07 0.00 -0.15 0.00 0.00 55.06 52.47 1wgr s HIS 57 Cb -0.12 -3.20 -0.11 0.00 1.11 0.00 0.00 32.58 30.25 1wgr s HIS 57 CO 0.11 -0.90 2.60 -0.35 -0.85 0.00 0.00 174.74 175.36 1wgr n PRO 58 N 3.99 2.38 0.00 8.40 -0.04 -1.26 -1.06 135.00 147.41 1wgr n PRO 58 Ca 0.03 -1.45 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 31.48 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 3.51 -0.28 0.86 0.54 1.44 -1.26 -4.81 115.22 115.22 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 0.34 0.06 0.06 0.00 0.12 0.00 0.00 29.99 30.57 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 -1.33 2.48 -3.79 2.39 4.77 -1.08 -4.97 117.00 115.48 1wgr n LEU 60 Ca 0.00 -0.94 -0.24 0.00 -0.03 0.00 0.00 56.01 54.80 1wgr n LEU 60 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1wgr n LEU 60 CO 0.00 0.43 -0.04 0.00 -1.33 0.00 0.00 177.39 176.46 1wgr n ALA 61 N 0.83 -1.81 -2.60 -1.18 0.00 -0.22 -4.97 120.51 110.56 1wgr n ALA 61 Ca 0.11 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 1wgr n ALA 61 Cb 0.48 -2.61 -0.07 0.00 0.00 0.00 0.00 19.45 17.26 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 -6.88 3.21 -0.23 0.00 1.98 -1.21 -4.89 118.68 110.66 1wgr s LEU 62 Ca 0.19 -0.71 -0.03 0.00 -2.89 0.00 0.00 54.13 50.69 1wgr s LEU 62 Cb -0.10 -1.70 0.11 0.00 0.66 0.00 0.00 46.19 45.16 1wgr s LEU 62 CO 0.83 -0.12 0.24 -1.61 -1.89 0.00 0.00 176.35 173.80 1wgr s GLU 63 N -3.74 0.23 -0.05 1.98 8.01 -1.26 -1.72 118.70 122.15 1wgr s GLU 63 Ca 0.34 0.13 0.05 0.00 0.01 0.00 0.00 54.97 55.49 1wgr s GLU 63 Cb -0.05 -1.05 -0.02 0.00 -4.31 0.00 0.00 34.13 28.71 1wgr s GLU 63 CO 0.21 -0.75 -0.19 0.50 0.01 0.00 0.00 175.26 175.04 1wgr s ARG 64 N 2.34 2.51 -0.16 1.61 3.52 -0.51 -4.88 118.95 123.38 1wgr s ARG 64 Ca 0.08 -0.79 -0.07 0.00 -0.13 0.00 0.00 55.73 54.82 1wgr s ARG 64 Cb -0.15 -2.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 1wgr s ARG 64 CO -0.18 0.52 0.06 0.20 -0.81 0.00 0.00 175.30 175.09 1wgr s GLY 65 N -0.48 1.92 0.18 8.12 0.00 -1.26 0.91 107.32 116.70 1wgr s GLY 65 Ca 0.06 -0.74 0.06 0.00 0.00 0.00 0.00 44.72 44.10 1wgr s GLY 65 CO 0.01 -0.06 0.07 0.48 0.00 0.00 0.00 173.10 173.60 1wgr s LEU 66 N 0.10 3.55 0.00 0.66 2.34 -1.10 -4.96 118.68 119.27 1wgr s LEU 66 Ca 0.05 -0.28 -0.07 0.00 0.06 0.00 0.00 54.13 53.89 1wgr s LEU 66 Cb -0.12 -2.17 0.10 0.00 -0.56 0.00 0.00 46.19 43.44 1wgr s LEU 66 CO 0.01 0.07 0.37 -0.62 -1.06 0.00 0.00 176.35 175.12 1wgr n GLU 67 N -0.29 -1.78 -0.08 1.48 1.02 -1.26 -4.28 120.64 115.44 1wgr n GLU 67 Ca -0.09 -0.59 -0.14 0.00 -0.02 0.00 0.00 57.16 56.32 1wgr n GLU 67 Cb 0.55 -0.56 -0.09 0.00 -0.02 0.00 0.00 31.44 31.32 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 -1.63 0.00 -1.06 1.62 2.03 -1.96 -3.34 116.42 112.08 1wgr h ASP 68 Ca -0.14 -0.49 0.29 0.00 -0.73 0.00 0.00 57.03 55.96 1wgr h ASP 68 Cb 0.43 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.87 1wgr h ASP 68 CO 0.09 1.09 0.73 1.12 -1.03 0.00 0.00 179.24 181.24 1wgr h HIS 69 N -1.00 0.27 -2.14 4.15 2.07 -1.95 0.88 115.15 117.43 1wgr h HIS 69 Ca -0.14 0.01 -0.60 0.00 -2.85 0.00 0.00 60.37 56.78 1wgr h HIS 69 Cb 0.91 -0.08 0.05 0.00 2.57 0.00 0.00 27.41 30.85 1wgr h HIS 69 CO 0.08 0.03 0.85 0.39 -3.07 0.00 0.00 177.93 176.21 1wgr n GLU 70 N -4.38 2.05 -2.47 5.12 -0.58 -1.25 -4.67 120.64 114.45 1wgr n GLU 70 Ca 0.24 0.74 -0.42 0.00 -0.42 0.00 0.00 57.16 57.30 1wgr n GLU 70 Cb 1.02 -2.52 -0.02 0.00 -0.57 0.00 0.00 31.44 29.35 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 1.81 6.34 0.33 1.62 0.01 -1.26 -0.57 113.70 121.98 1wgr s SER 71 Ca 0.84 0.36 0.09 0.00 1.31 0.00 0.00 55.95 58.54 1wgr s SER 71 Cb -0.72 -2.55 0.96 0.00 0.21 0.00 0.00 66.02 63.93 1wgr s SER 71 CO 0.43 -1.52 1.58 -0.37 0.41 0.00 0.00 173.24 173.77 1wgr h VAL 72 N 6.31 0.03 0.44 3.43 -1.51 -1.82 0.58 116.25 123.72 1wgr h VAL 72 Ca -0.26 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 1wgr h VAL 72 Cb 1.08 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1wgr h VAL 72 CO 1.16 0.00 -0.21 0.58 -1.23 0.00 0.00 177.57 177.87 1wgr h VAL 73 N 0.02 0.00 -0.67 7.19 2.07 -1.89 1.42 116.25 124.38 1wgr h VAL 73 Ca 0.68 -0.05 0.19 0.00 0.82 0.00 0.00 66.70 68.35 1wgr h VAL 73 Cb 1.58 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1wgr h VAL 73 CO -0.85 0.00 0.80 -0.33 0.02 0.00 0.00 177.57 177.21 1wgr h GLU 74 N -0.64 0.00 0.14 1.57 5.08 -1.14 1.67 114.58 121.26 1wgr h GLU 74 Ca -0.06 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.98 1wgr h GLU 74 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wgr h GLU 74 CO 0.10 0.00 -1.65 0.28 -1.00 0.00 0.00 179.01 176.74 1wgr h VAL 75 N 0.00 0.91 0.00 3.13 2.07 0.56 -3.03 116.25 119.90 1wgr h VAL 75 Ca 0.32 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.42 1wgr h VAL 75 Cb 1.92 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 34.37 1wgr h VAL 75 CO -0.00 0.79 0.00 0.00 0.02 0.00 0.00 177.57 178.38 1wgr n GLN 76 N -3.73 0.40 -0.02 1.57 10.64 0.48 -2.58 117.38 124.14 1wgr n GLN 76 Ca -0.27 0.03 0.03 0.00 -1.83 0.00 0.00 57.00 54.96 1wgr n GLN 76 Cb 0.99 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.73 1wgr n GLN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wgr n ALA 77 N -1.28 2.25 0.11 2.61 0.00 0.49 -4.10 120.51 120.59 1wgr n ALA 77 Ca 0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 1wgr n ALA 77 Cb 0.21 -0.65 0.02 0.00 0.00 0.00 0.00 19.45 19.04 1wgr n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgr h ALA 78 N 1.61 0.62 -1.92 0.00 0.00 -1.36 -3.46 119.26 114.74 1wgr h ALA 78 Ca -0.19 -0.63 -0.61 0.00 0.00 0.00 0.00 54.91 53.48 1wgr h ALA 78 Cb 1.47 -0.11 0.15 0.00 0.00 0.00 0.00 17.79 19.30 1wgr h ALA 78 CO 0.02 0.86 -0.66 0.91 0.00 0.00 0.00 179.25 180.37 1wgr n TRP 79 N -3.36 -1.29 -1.55 0.00 8.01 -1.15 -4.91 117.44 113.18 1wgr n TRP 79 Ca 0.01 0.59 -0.30 0.00 -1.31 0.00 0.00 57.50 56.49 1wgr n TRP 79 Cb 0.77 -1.88 0.10 0.00 -2.01 0.00 0.00 31.31 28.29 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 -1.36 1.98 -0.53 -0.99 0.04 -1.26 -4.98 135.00 127.90 1wgr s PRO 80 Ca 0.62 0.60 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 1wgr s PRO 80 Cb -0.60 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.06 1wgr s PRO 80 CO 0.60 -1.68 1.04 0.54 0.04 0.00 0.00 177.00 177.53 1wgr s VAL 81 N -3.17 4.27 0.00 -0.36 0.11 -1.26 -3.77 120.40 116.22 1wgr s VAL 81 Ca 0.61 0.67 0.00 0.00 -2.93 0.00 0.00 61.98 60.33 1wgr s VAL 81 Cb -0.14 -4.58 0.00 0.00 -1.53 0.00 0.00 36.38 30.13 1wgr s VAL 81 CO 0.54 -1.11 0.00 0.61 -3.33 0.00 0.00 175.10 171.81 1wgr n GLY 82 N 5.03 3.54 3.57 6.54 0.00 -1.26 -5.07 105.19 117.54 1wgr n GLY 82 Ca 0.06 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 0.45 -1.26 -0.02 0.00 -1.25 -4.85 107.32 100.38 1wgr s GLY 83 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 44.72 44.28 1wgr s GLY 83 CO 0.00 3.31 2.55 1.22 0.00 0.00 0.00 173.10 180.18 1wgr n ASP 84 N 11.69 6.86 -4.72 1.64 9.92 -1.26 -4.74 116.55 135.94 1wgr n ASP 84 Ca 0.21 -2.45 -0.35 0.00 -0.53 0.00 0.00 54.79 51.67 1wgr n ASP 84 Cb 0.50 -1.33 0.09 0.00 -0.64 0.00 0.00 41.12 39.74 1wgr n ASP 84 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1wgr s SER 85 N 2.77 4.28 0.32 -2.24 0.01 -1.26 -4.45 113.70 113.14 1wgr s SER 85 Ca 0.55 2.49 0.04 0.00 1.31 0.00 0.00 55.95 60.35 1wgr s SER 85 Cb 0.14 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1wgr s SER 85 CO -0.05 -2.21 0.19 0.00 0.41 0.00 0.00 173.24 171.58 1wgr s ARG 86 N -3.68 1.67 -0.30 12.44 1.70 0.26 -4.94 118.95 126.10 1wgr s ARG 86 Ca 0.78 -1.97 -0.06 0.00 -0.47 0.00 0.00 55.73 54.02 1wgr s ARG 86 Cb -0.33 -0.03 0.02 0.00 -0.57 0.00 0.00 34.95 34.04 1wgr s ARG 86 CO 0.43 -0.51 0.06 -0.06 -1.08 0.00 0.00 175.30 174.14 1wgr s PHE 87 N -3.53 3.17 -0.20 5.89 0.08 -1.26 0.91 117.98 123.04 1wgr s PHE 87 Ca 0.35 -1.23 -0.09 0.00 0.12 0.00 0.00 56.93 56.07 1wgr s PHE 87 Cb 0.04 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.22 1wgr s PHE 87 CO 0.20 -0.65 0.12 0.08 -0.10 0.00 0.00 175.22 174.86 1wgr s VAL 88 N 1.43 5.27 -0.34 -0.44 1.01 0.30 -1.09 120.40 126.54 1wgr s VAL 88 Ca 0.01 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 1wgr s VAL 88 Cb -0.18 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 1wgr s VAL 88 CO 0.01 0.44 0.60 0.12 0.00 0.00 0.00 175.10 176.27 1wgr s PHE 89 N 0.39 3.17 0.08 5.22 5.36 -1.10 -1.09 117.98 130.01 1wgr s PHE 89 Ca 0.07 0.34 -0.06 0.00 -0.96 0.00 0.00 56.93 56.32 1wgr s PHE 89 Cb -0.11 -3.04 -0.01 0.00 -0.34 0.00 0.00 43.02 39.51 1wgr s PHE 89 CO -0.01 -0.57 0.13 -0.98 -1.46 0.00 0.00 175.22 172.32 1wgr s ARG 90 N 2.59 0.80 -0.05 10.12 1.70 -1.25 -4.59 118.95 128.27 1wgr s ARG 90 Ca 0.23 -1.07 0.12 0.00 -0.47 0.00 0.00 55.73 54.53 1wgr s ARG 90 Cb -0.15 0.30 -0.18 0.00 -0.57 0.00 0.00 34.95 34.36 1wgr s ARG 90 CO 0.14 -0.23 0.19 0.36 -1.08 0.00 0.00 175.30 174.67 1wgr n LYS 91 N -0.02 1.03 -3.72 3.89 2.85 -1.26 -3.79 118.16 117.13 1wgr n LYS 91 Ca -0.14 -0.07 -0.28 0.00 -1.05 0.00 0.00 58.31 56.77 1wgr n LYS 91 Cb 0.62 -1.30 -0.11 0.00 -0.65 0.00 0.00 35.03 33.59 1wgr n LYS 91 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wgr n ASN 92 N -2.13 2.76 -4.57 -5.58 4.13 -1.26 -4.97 115.26 103.64 1wgr n ASN 92 Ca -0.09 -3.17 -0.35 0.00 1.68 0.00 0.00 54.58 52.65 1wgr n ASN 92 Cb 0.54 -0.72 -0.11 0.00 -1.54 0.00 0.00 39.78 37.96 1wgr n ASN 92 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1wgr s PHE 93 N -1.55 3.18 0.00 3.10 -0.12 -1.26 -4.81 117.98 116.53 1wgr s PHE 93 Ca 0.29 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.09 1wgr s PHE 93 Cb 0.02 -2.13 0.00 0.00 -0.63 0.00 0.00 43.02 40.28 1wgr s PHE 93 CO -0.14 -0.01 0.00 0.00 -0.05 0.00 0.00 175.22 175.02 1wgr n ALA 94 N 3.98 0.00 -3.25 1.99 0.00 -1.26 -5.03 120.51 116.93 1wgr n ALA 94 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1wgr n ALA 94 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1wgr n ALA 94 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wgr s SER 95 N -1.46 0.83 1.00 0.00 0.01 -1.26 -5.05 113.70 107.77 1wgr s SER 95 Ca 0.00 -2.35 -0.15 0.00 1.31 0.00 0.00 55.95 54.77 1wgr s SER 95 Cb 0.00 0.33 0.13 0.00 0.21 0.00 0.00 66.02 66.69 1wgr s SER 95 CO 0.00 -0.18 0.14 0.61 0.41 0.00 0.00 173.24 174.22 1wgr n GLY 96 N 3.30 -2.44 3.55 3.44 0.00 -1.26 -4.75 105.19 107.03 1wgr n GLY 96 Ca 0.21 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.30 2.99 -0.13 1.61 0.04 -1.26 -4.70 135.00 130.25 1wgr s PRO 97 Ca 0.37 -0.20 -0.10 0.00 0.04 0.00 0.00 61.00 61.11 1wgr s PRO 97 Cb -0.06 -4.68 -0.06 0.00 0.04 0.00 0.00 34.50 29.75 1wgr s PRO 97 CO 0.39 -2.58 -0.23 0.43 0.04 0.00 0.00 177.00 175.05 1wgr n SER 98 N 11.18 1.45 -2.36 6.66 7.64 -1.26 -5.07 113.62 131.86 1wgr n SER 98 Ca 0.22 0.24 -0.02 0.00 1.01 0.00 0.00 58.87 60.32 1wgr n SER 98 Cb 0.50 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 1wgr n SER 98 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgr n SER 99 N -3.96 -6.59 -0.93 6.43 7.64 -1.26 -5.16 113.62 109.78 1wgr n SER 99 Ca -0.22 1.63 0.12 0.00 1.01 0.00 0.00 58.87 61.41 1wgr n SER 99 Cb 0.54 -5.02 0.12 0.00 -1.01 0.00 0.00 64.21 58.83 1wgr n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64