#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 0.00 -2.94 1.61 7.64 -1.26 -5.10 113.62 113.57 1wgr n SER 2 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1wgr n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1wgr n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgr n SER 3 N 0.00 -5.96 0.00 6.43 7.64 -1.26 -5.03 113.62 115.45 1wgr n SER 3 Ca 0.00 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1wgr n SER 3 Cb 0.00 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 1wgr n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgr n GLY 4 N 1.57 4.51 0.19 0.23 0.00 -1.26 -5.07 105.19 105.37 1wgr n GLY 4 Ca -0.09 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 -0.33 -5.82 1.61 0.87 -1.95 -3.49 113.55 104.43 1wgr h SER 5 Ca 0.00 -0.13 -0.17 0.00 -1.23 0.00 0.00 61.79 60.26 1wgr h SER 5 Cb 0.00 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1wgr h SER 5 CO 0.00 0.14 -0.63 -1.20 -0.53 0.00 0.00 176.83 174.61 1wgr n SER 6 N -5.04 -6.88 0.10 6.23 7.64 -1.26 -4.87 113.62 109.54 1wgr n SER 6 Ca -0.07 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1wgr n SER 6 Cb 0.23 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.48 1wgr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgr n GLY 7 N -0.85 -1.57 3.19 0.23 0.00 -1.26 -5.15 105.19 99.78 1wgr n GLY 7 Ca -0.03 0.51 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.00 0.91 1.02 1.61 0.52 -1.26 -5.15 118.95 114.60 1wgr s ARG 8 Ca 0.00 -0.96 -0.16 0.00 -0.52 0.00 0.00 55.73 54.09 1wgr s ARG 8 Cb 0.00 -0.97 0.21 0.00 0.52 0.00 0.00 34.95 34.70 1wgr s ARG 8 CO 0.00 0.22 1.19 -1.25 0.02 0.00 0.00 175.30 175.48 1wgr s PRO 9 N -1.66 0.22 -0.36 3.54 0.04 -1.26 -4.98 135.00 130.53 1wgr s PRO 9 Ca 0.00 -0.06 -0.09 0.00 0.04 0.00 0.00 61.00 60.90 1wgr s PRO 9 Cb -0.10 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.72 1wgr s PRO 9 CO 0.02 -2.75 0.17 -1.01 0.04 0.00 0.00 177.00 173.47 1wgr s HIS 10 N -3.40 3.26 -0.88 0.56 3.76 0.17 -5.01 115.29 113.76 1wgr s HIS 10 Ca 0.69 -1.24 -0.20 0.00 -0.15 0.00 0.00 55.06 54.17 1wgr s HIS 10 Cb -0.09 -2.41 0.11 0.00 1.11 0.00 0.00 32.58 31.29 1wgr s HIS 10 CO 0.54 -0.71 1.11 0.08 -0.85 0.00 0.00 174.74 174.91 1wgr s VAL 11 N 1.47 4.60 -0.01 -0.90 1.01 -1.26 -2.54 120.40 122.77 1wgr s VAL 11 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 1wgr s VAL 11 Cb -0.20 -4.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 1wgr s VAL 11 CO 0.04 -1.52 1.09 -0.69 0.00 0.00 0.00 175.10 174.02 1wgr s VAL 12 N 3.09 4.51 -0.20 2.92 1.01 -1.14 -4.89 120.40 125.70 1wgr s VAL 12 Ca 0.31 1.80 -0.09 0.00 0.00 0.00 0.00 61.98 64.00 1wgr s VAL 12 Cb -0.07 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1wgr s VAL 12 CO -0.05 0.09 0.11 -0.54 0.00 0.00 0.00 175.10 174.71 1wgr s LYS 13 N 1.43 4.08 -0.05 2.72 1.02 -1.26 -2.10 119.74 125.57 1wgr s LYS 13 Ca 0.54 -0.28 0.04 0.00 0.02 0.00 0.00 55.97 56.29 1wgr s LYS 13 Cb -0.23 -3.38 -0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1wgr s LYS 13 CO 0.25 0.22 -0.18 0.08 -0.92 0.00 0.00 175.35 174.81 1wgr s VAL 14 N 0.56 1.53 -0.03 3.17 1.01 0.38 -3.79 120.40 123.23 1wgr s VAL 14 Ca 0.06 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1wgr s VAL 14 Cb -0.12 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1wgr s VAL 14 CO 0.00 0.44 -0.09 -0.31 0.00 0.00 0.00 175.10 175.14 1wgr s TYR 15 N 0.12 2.84 0.10 5.22 1.51 -0.20 0.53 117.35 127.47 1wgr s TYR 15 Ca -0.07 -0.06 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1wgr s TYR 15 Cb -0.13 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1wgr s TYR 15 CO 0.03 0.31 0.25 0.45 -1.11 0.00 0.00 175.55 175.48 1wgr s SER 16 N -1.02 6.36 0.28 2.29 0.15 -0.23 -1.12 113.70 120.40 1wgr s SER 16 Ca 0.14 0.25 -0.02 0.00 0.70 0.00 0.00 55.95 57.02 1wgr s SER 16 Cb -0.11 -1.95 0.62 0.00 -1.71 0.00 0.00 66.02 62.87 1wgr s SER 16 CO 0.03 0.12 1.61 -0.33 1.20 0.00 0.00 173.24 175.87 1wgr h GLU 17 N 2.70 0.08 -0.78 5.44 5.08 -1.89 1.07 114.58 126.28 1wgr h GLU 17 Ca -0.46 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.02 1wgr h GLU 17 Cb 1.17 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 1wgr h GLU 17 CO 0.73 0.05 0.37 0.22 -1.00 0.00 0.00 179.01 179.38 1wgr h ASP 18 N 0.08 0.42 0.00 1.42 3.58 -1.95 -3.46 116.42 116.52 1wgr h ASP 18 Ca 0.52 0.09 0.00 0.00 0.42 0.00 0.00 57.03 58.06 1wgr h ASP 18 Cb 1.01 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1wgr h ASP 18 CO -0.78 0.19 0.00 0.61 -2.88 0.00 0.00 179.24 176.38 1wgr n GLY 19 N -1.32 1.69 3.50 -0.78 0.00 0.37 -5.11 105.19 103.54 1wgr n GLY 19 Ca 0.15 -0.13 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.73 -2.76 4.61 0.00 -1.26 -4.40 120.51 114.96 1wgr n ALA 20 Ca 0.00 0.45 -0.32 0.00 0.00 0.00 0.00 53.44 53.56 1wgr n ALA 20 Cb 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 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 -1.83 0.24 0.15 0.00 0.52 0.19 -4.99 118.95 113.22 1wgr s ARG 22 Ca 0.24 0.17 0.07 0.00 -0.52 0.00 0.00 55.73 55.69 1wgr s ARG 22 Cb -0.12 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.43 1wgr s ARG 22 CO 0.15 -0.04 -0.16 -1.12 0.02 0.00 0.00 175.30 174.15 1wgr s SER 23 N -0.09 2.39 -0.01 0.23 0.01 -1.26 0.15 113.70 115.12 1wgr s SER 23 Ca -0.02 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.40 1wgr s SER 23 Cb -0.02 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1wgr s SER 23 CO 0.00 -0.09 -0.02 0.68 0.41 0.00 0.00 173.24 174.22 1wgr s VAL 24 N -2.16 0.18 -0.55 3.43 -7.23 -0.89 -5.00 120.40 108.18 1wgr s VAL 24 Ca 0.13 -0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 59.99 1wgr s VAL 24 Cb -0.05 -0.19 0.04 0.00 0.56 0.00 0.00 36.38 36.74 1wgr s VAL 24 CO 0.05 0.07 1.01 -1.61 -0.31 0.00 0.00 175.10 174.31 1wgr s GLU 25 N 0.17 3.39 0.21 4.82 2.02 -1.26 -2.86 118.70 125.19 1wgr s GLU 25 Ca -0.01 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 54.91 1wgr s GLU 25 Cb -0.04 -4.03 -0.05 0.00 0.10 0.00 0.00 34.13 30.11 1wgr s GLU 25 CO -0.00 -1.52 -0.03 0.14 0.02 0.00 0.00 175.26 173.86 1wgr s VAL 26 N 4.21 1.07 0.47 2.63 -7.23 -1.05 -5.00 120.40 115.49 1wgr s VAL 26 Ca 0.34 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.55 1wgr s VAL 26 Cb -0.11 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.64 1wgr s VAL 26 CO 0.21 -0.43 0.59 0.00 -0.31 0.00 0.00 175.10 175.16 1wgr s ALA 27 N -3.40 4.50 -0.64 1.32 0.00 -1.26 -0.65 121.76 121.63 1wgr s ALA 27 Ca 0.25 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 50.16 1wgr s ALA 27 Cb 0.05 -1.44 -0.21 0.00 0.00 0.00 0.00 23.12 21.52 1wgr s ALA 27 CO 0.07 -0.43 1.85 0.00 0.00 0.00 0.00 175.76 177.24 1wgr n ALA 28 N -1.90 2.42 0.00 0.00 0.00 -1.26 -2.19 120.51 117.58 1wgr n ALA 28 Ca 0.09 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.44 1wgr n ALA 28 Cb 0.60 -3.64 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 4.84 0.13 3.64 0.00 0.00 -1.26 -5.13 105.19 107.41 1wgr n GLY 29 Ca 0.48 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.89 0.57 -3.55 4.61 0.00 -0.93 -4.92 120.51 115.40 1wgr n ALA 30 Ca 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 1wgr n ALA 30 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 -0.48 0.00 0.33 0.00 -2.24 -1.26 -3.87 114.28 106.76 1wgr n THR 31 Ca 0.09 -0.64 -0.19 0.00 -2.27 0.00 0.00 64.05 61.04 1wgr n THR 31 Cb 0.40 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.69 -1.15 -0.53 6.98 0.00 -1.43 -2.52 119.26 121.30 1wgr h ALA 32 Ca -0.10 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.69 1wgr h ALA 32 Cb 0.38 0.68 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 1wgr h ALA 32 CO 0.16 -1.18 -0.41 -0.09 0.00 0.00 0.00 179.25 177.73 1wgr h ARG 33 N -1.05 -0.23 -1.00 0.00 1.12 -1.79 0.54 114.38 111.98 1wgr h ARG 33 Ca -0.07 0.02 0.38 0.00 -1.11 0.00 0.00 59.98 59.19 1wgr h ARG 33 Cb 0.89 0.05 -0.17 0.00 -0.01 0.00 0.00 29.97 30.73 1wgr h ARG 33 CO -0.02 -0.15 0.47 0.45 -3.11 0.00 0.00 179.97 177.61 1wgr h HIS 34 N -0.24 0.72 -0.16 2.20 3.86 -1.80 1.85 115.15 121.57 1wgr h HIS 34 Ca 0.18 0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.30 1wgr h HIS 34 Cb 0.56 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1wgr h HIS 34 CO -0.67 -0.41 -0.44 0.28 0.86 0.00 0.00 177.93 177.55 1wgr h VAL 35 N 0.06 1.34 -0.31 2.45 2.07 0.39 -2.51 116.25 119.74 1wgr h VAL 35 Ca 0.79 -1.71 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1wgr h VAL 35 Cb 1.98 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 33.71 1wgr h VAL 35 CO -0.76 0.52 0.06 0.00 0.02 0.00 0.00 177.57 177.41 1wgr h GLU 37 N 0.17 -0.56 -0.18 0.00 4.39 0.42 0.75 114.58 119.58 1wgr h GLU 37 Ca 0.15 0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.93 1wgr h GLU 37 Cb 0.16 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 1wgr h GLU 37 CO -0.19 -0.37 -0.38 0.52 -1.16 0.00 0.00 179.01 177.43 1wgr h MET 38 N -0.58 -0.40 -1.01 2.33 2.86 -1.20 0.95 114.93 117.88 1wgr h MET 38 Ca -0.02 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 1wgr h MET 38 Cb 0.54 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.19 1wgr h MET 38 CO -0.12 -0.27 0.62 -0.07 1.06 0.00 0.00 176.91 178.13 1wgr h LEU 39 N -0.42 0.85 -0.73 1.22 3.38 -0.24 0.21 115.31 119.58 1wgr h LEU 39 Ca 0.10 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1wgr h LEU 39 Cb 0.59 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1wgr h LEU 39 CO -0.41 0.38 0.41 0.58 0.09 0.00 0.00 178.44 179.48 1wgr h VAL 40 N 0.87 0.94 -4.90 1.22 2.07 0.29 -3.48 116.25 113.27 1wgr h VAL 40 Ca 0.54 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1wgr h VAL 40 Cb 0.71 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1wgr h VAL 40 CO -0.33 0.13 -0.76 0.00 0.02 0.00 0.00 177.57 176.64 1wgr n GLN 41 N -4.77 -2.83 0.00 1.57 6.02 0.73 -5.07 117.38 113.03 1wgr n GLN 41 Ca 0.10 2.37 0.00 0.00 -0.01 0.00 0.00 57.00 59.46 1wgr n GLN 41 Cb 0.21 -4.94 0.00 0.00 1.02 0.00 0.00 30.24 26.53 1wgr n GLN 41 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1wgr n ARG 42 N 0.37 0.00 -1.80 -1.09 0.63 -1.26 -5.11 116.66 108.39 1wgr n ARG 42 Ca 0.03 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.54 1wgr n ARG 42 Cb 0.11 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.99 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 -0.29 3.66 0.00 5.13 0.00 -1.26 -4.63 121.76 124.38 1wgr s ALA 43 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1wgr s ALA 43 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1wgr s ALA 43 CO 0.00 -1.33 0.00 0.72 0.00 0.00 0.00 175.76 175.15 1wgr n HIS 44 N 6.46 0.00 -1.33 0.00 8.25 -1.26 -4.82 115.22 122.52 1wgr n HIS 44 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1wgr n HIS 44 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 7.24 -2.68 -3.17 -1.41 0.00 -1.26 -5.00 120.51 114.23 1wgr n ALA 45 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1wgr n ALA 45 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1wgr n ALA 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgr n LEU 46 N 0.00 4.44 -2.66 0.00 4.77 -1.26 -4.81 117.00 117.48 1wgr n LEU 46 Ca 0.00 -5.52 -0.03 0.00 -0.03 0.00 0.00 56.01 50.43 1wgr n LEU 46 Cb 0.00 -0.70 0.05 0.00 -2.33 0.00 0.00 43.42 40.44 1wgr n LEU 46 CO 0.00 2.14 0.57 -0.24 -1.33 0.00 0.00 177.39 178.53 1wgr n SER 47 N 0.43 -1.17 0.00 -1.43 2.88 -1.26 -5.17 113.62 107.91 1wgr n SER 47 Ca 0.31 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1wgr n SER 47 Cb 0.39 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1wgr n SER 47 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wgr n ASP 48 N 2.23 0.00 -4.34 -3.46 5.75 -1.26 -5.16 116.55 110.31 1wgr n ASP 48 Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.53 1wgr n ASP 48 Cb 0.68 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.91 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 -0.24 -0.98 -2.96 0.11 -0.58 -1.26 -4.96 120.64 109.78 1wgr n GLU 49 Ca 0.00 -0.26 -0.31 0.00 -0.42 0.00 0.00 57.16 56.18 1wgr n GLU 49 Cb 0.00 -1.76 -0.04 0.00 -0.57 0.00 0.00 31.44 29.07 1wgr n GLU 49 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1wgr s THR 50 N -2.31 4.77 0.04 2.62 -4.23 -1.26 -5.09 115.64 110.18 1wgr s THR 50 Ca 0.56 0.69 -0.02 0.00 -1.18 0.00 0.00 61.69 61.74 1wgr s THR 50 Cb -0.16 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1wgr s THR 50 CO 0.67 -0.41 -0.00 0.26 -0.54 0.00 0.00 174.62 174.59 1wgr s TRP 51 N -2.24 0.37 0.00 3.99 0.52 -1.26 -4.55 118.94 115.77 1wgr s TRP 51 Ca 0.52 -0.78 0.00 0.00 0.02 0.00 0.00 56.10 55.86 1wgr s TRP 51 Cb -0.10 -0.27 0.00 0.00 -1.15 0.00 0.00 33.47 31.94 1wgr s TRP 51 CO 0.27 -0.32 0.00 0.41 0.02 0.00 0.00 176.95 177.34 1wgr n GLY 52 N 0.72 2.87 3.25 0.98 0.00 -1.23 -4.94 105.19 106.84 1wgr n GLY 52 Ca -0.18 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 2.24 -0.14 0.99 1.43 -1.26 -4.16 118.68 117.77 1wgr s LEU 53 Ca 0.00 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 1wgr s LEU 53 Cb 0.00 -0.87 0.05 0.00 0.03 0.00 0.00 46.19 45.40 1wgr s LEU 53 CO 0.00 0.09 0.04 -0.69 0.23 0.00 0.00 176.35 176.02 1wgr s VAL 54 N -1.00 0.27 0.11 -1.59 1.01 0.10 -2.57 120.40 116.73 1wgr s VAL 54 Ca 0.06 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 1wgr s VAL 54 Cb -0.09 -0.70 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 1wgr s VAL 54 CO 0.03 -0.06 1.37 -1.83 0.00 0.00 0.00 175.10 174.61 1wgr s GLU 55 N 1.99 4.33 -0.00 2.72 -1.05 0.22 0.18 118.70 127.09 1wgr s GLU 55 Ca 0.02 2.04 0.02 0.00 -0.15 0.00 0.00 54.97 56.90 1wgr s GLU 55 Cb -0.15 -3.26 -0.04 0.00 -0.44 0.00 0.00 34.13 30.25 1wgr s GLU 55 CO -0.07 -0.42 -0.01 0.00 0.95 0.00 0.00 175.26 175.71 1wgr s HIS 57 N -1.06 3.45 -0.72 0.00 3.76 -0.73 -1.51 115.29 118.48 1wgr s HIS 57 Ca 0.19 -2.68 -0.06 0.00 -0.15 0.00 0.00 55.06 52.35 1wgr s HIS 57 Cb -0.11 -3.16 -0.12 0.00 1.11 0.00 0.00 32.58 30.29 1wgr s HIS 57 CO 0.09 -0.87 2.63 -0.35 -0.85 0.00 0.00 174.74 175.39 1wgr n PRO 58 N 3.80 2.25 0.00 8.40 -0.04 -1.26 -0.90 135.00 147.25 1wgr n PRO 58 Ca 0.04 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1wgr n PRO 58 Cb 0.38 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.40 -0.33 0.87 0.54 1.44 -1.26 -4.46 115.22 115.41 1wgr n HIS 59 Ca 0.48 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.29 1wgr n HIS 59 Cb 0.39 0.07 0.02 0.00 0.12 0.00 0.00 29.99 30.58 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 -1.39 2.10 -3.66 2.39 4.77 -1.08 -4.98 117.00 115.15 1wgr n LEU 60 Ca 0.00 -0.83 -0.21 0.00 -0.03 0.00 0.00 56.01 54.93 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 0.38 -0.05 0.00 -1.33 0.00 0.00 177.39 176.39 1wgr n ALA 61 N 0.29 -2.07 -2.53 -1.18 0.00 -0.07 -4.99 120.51 109.95 1wgr n ALA 61 Ca 0.09 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 1wgr n ALA 61 Cb 0.44 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 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 -6.58 2.80 -0.21 0.00 2.96 -1.22 -4.98 118.68 111.45 1wgr s LEU 62 Ca 0.05 -1.07 -0.04 0.00 -0.22 0.00 0.00 54.13 52.86 1wgr s LEU 62 Cb -0.01 -1.16 0.10 0.00 0.50 0.00 0.00 46.19 45.61 1wgr s LEU 62 CO 0.81 -0.15 0.22 -1.61 -1.32 0.00 0.00 176.35 174.30 1wgr s GLU 63 N -3.62 0.20 -0.01 1.98 8.01 -1.26 -1.78 118.70 122.22 1wgr s GLU 63 Ca 0.33 0.13 0.06 0.00 0.01 0.00 0.00 54.97 55.50 1wgr s GLU 63 Cb -0.00 -1.17 -0.03 0.00 -4.31 0.00 0.00 34.13 28.62 1wgr s GLU 63 CO 0.17 -0.71 -0.19 0.50 0.01 0.00 0.00 175.26 175.05 1wgr s ARG 64 N 2.32 2.23 0.15 1.61 6.06 -0.47 -4.98 118.95 125.86 1wgr s ARG 64 Ca 0.07 -0.86 0.04 0.00 -2.50 0.00 0.00 55.73 52.48 1wgr s ARG 64 Cb -0.16 -2.22 -0.04 0.00 0.06 0.00 0.00 34.95 32.60 1wgr s ARG 64 CO -0.15 0.58 0.14 0.20 -2.50 0.00 0.00 175.30 173.57 1wgr s GLY 65 N -0.96 1.77 0.19 8.12 0.00 -1.26 0.71 107.32 115.88 1wgr s GLY 65 Ca 0.12 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.74 1wgr s GLY 65 CO 0.02 -1.16 -0.09 0.48 0.00 0.00 0.00 173.10 172.35 1wgr s LEU 66 N -2.99 2.47 0.00 0.66 2.34 -1.06 -4.93 118.68 115.17 1wgr s LEU 66 Ca 0.31 -1.07 -0.00 0.00 0.06 0.00 0.00 54.13 53.43 1wgr s LEU 66 Cb -0.11 -0.43 0.01 0.00 -0.56 0.00 0.00 46.19 45.11 1wgr s LEU 66 CO 0.24 -0.33 0.10 -0.62 -1.06 0.00 0.00 176.35 174.68 1wgr n GLU 67 N -0.31 0.45 0.16 1.48 -0.58 -1.26 -4.40 120.64 116.18 1wgr n GLU 67 Ca -0.08 -0.24 0.05 0.00 -0.42 0.00 0.00 57.16 56.46 1wgr n GLU 67 Cb 0.61 -0.07 0.08 0.00 -0.57 0.00 0.00 31.44 31.49 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 -0.07 0.00 0.95 1.62 3.04 -1.97 -2.93 116.42 117.06 1wgr h ASP 68 Ca -0.03 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 1wgr h ASP 68 Cb 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 1wgr h ASP 68 CO 0.03 0.37 0.00 0.00 -2.04 0.00 0.00 179.24 177.60 1wgr n HIS 69 N -3.20 0.00 -2.88 4.15 1.44 -1.26 -4.28 115.22 109.19 1wgr n HIS 69 Ca 0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.32 1wgr n HIS 69 Cb 0.67 -0.50 -0.04 0.00 0.12 0.00 0.00 29.99 30.24 1wgr n HIS 69 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1wgr s GLU 70 N -3.00 4.20 -0.25 -1.40 0.41 -1.10 -5.00 118.70 112.55 1wgr s GLU 70 Ca 0.14 0.97 -0.29 0.00 -0.41 0.00 0.00 54.97 55.37 1wgr s GLU 70 Cb 0.18 -3.64 0.01 0.00 -1.78 0.00 0.00 34.13 28.90 1wgr s GLU 70 CO 0.51 -0.51 1.05 -1.12 -0.49 0.00 0.00 175.26 174.70 1wgr s SER 71 N 1.32 7.05 0.26 -0.19 0.01 -1.26 -1.53 113.70 119.37 1wgr s SER 71 Ca 0.35 1.29 -0.01 0.00 1.31 0.00 0.00 55.95 58.89 1wgr s SER 71 Cb -0.15 -2.54 0.50 0.00 0.21 0.00 0.00 66.02 64.04 1wgr s SER 71 CO 0.08 -0.73 1.80 -0.37 0.41 0.00 0.00 173.24 174.42 1wgr h VAL 72 N 5.53 0.83 0.33 3.43 -1.51 -1.83 0.73 116.25 123.75 1wgr h VAL 72 Ca -0.19 -0.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.99 1wgr h VAL 72 Cb 1.06 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 1wgr h VAL 72 CO 0.99 0.14 -0.16 0.58 -1.23 0.00 0.00 177.57 177.90 1wgr h VAL 73 N 0.77 0.69 -0.81 7.19 2.07 -1.91 1.64 116.25 125.90 1wgr h VAL 73 Ca 0.46 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1wgr h VAL 73 Cb 0.53 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1wgr h VAL 73 CO -0.30 0.08 0.46 -0.33 0.02 0.00 0.00 177.57 177.49 1wgr h GLU 74 N -0.65 0.75 0.00 1.57 5.08 -1.68 1.55 114.58 121.20 1wgr h GLU 74 Ca -0.04 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1wgr h GLU 74 Cb 0.46 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1wgr h GLU 74 CO 0.07 0.49 -0.67 0.28 -1.00 0.00 0.00 179.01 178.19 1wgr h VAL 75 N 0.77 1.35 0.00 3.13 2.07 0.60 -2.23 116.25 121.94 1wgr h VAL 75 Ca 0.39 -2.39 -0.20 0.00 0.82 0.00 0.00 66.70 65.32 1wgr h VAL 75 Cb 0.37 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1wgr h VAL 75 CO -0.25 0.66 -0.88 -0.61 0.02 0.00 0.00 177.57 176.50 1wgr h GLN 76 N 0.00 0.24 0.00 1.57 4.15 0.49 -2.94 115.11 118.62 1wgr h GLN 76 Ca -0.01 -0.26 -0.09 0.00 0.77 0.00 0.00 58.65 59.07 1wgr h GLN 76 Cb 1.29 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 1wgr h GLN 76 CO 0.09 0.98 -0.41 0.00 -1.93 0.00 0.00 178.83 177.55 1wgr h ALA 77 N 0.93 0.87 -0.27 3.38 0.00 0.22 -2.98 119.26 121.41 1wgr h ALA 77 Ca -0.05 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 1wgr h ALA 77 Cb 1.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1wgr h ALA 77 CO 0.14 0.52 -0.42 0.00 0.00 0.00 0.00 179.25 179.49 1wgr h ALA 78 N 1.59 0.77 -1.85 0.00 0.00 -1.29 -3.45 119.26 115.03 1wgr h ALA 78 Ca -0.00 -0.45 -0.62 0.00 0.00 0.00 0.00 54.91 53.84 1wgr h ALA 78 Cb 1.07 -0.11 0.13 0.00 0.00 0.00 0.00 17.79 18.88 1wgr h ALA 78 CO 0.05 0.66 -0.26 0.91 0.00 0.00 0.00 179.25 180.61 1wgr n TRP 79 N -4.03 0.03 -1.55 0.00 8.01 -1.12 -4.92 117.44 113.86 1wgr n TRP 79 Ca -0.02 0.69 -0.30 0.00 -1.31 0.00 0.00 57.50 56.56 1wgr n TRP 79 Cb 0.53 -2.06 0.09 0.00 -2.01 0.00 0.00 31.31 27.86 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 -1.49 2.01 -1.21 -0.99 0.04 -1.26 -4.96 135.00 127.14 1wgr s PRO 80 Ca 0.62 0.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.21 1wgr s PRO 80 Cb -0.68 -1.91 0.21 0.00 0.04 0.00 0.00 34.50 32.15 1wgr s PRO 80 CO 0.58 -1.67 1.91 0.28 0.04 0.00 0.00 177.00 178.14 1wgr n VAL 81 N -3.46 5.04 0.00 -0.36 0.31 -1.26 -4.02 118.33 114.58 1wgr n VAL 81 Ca 0.07 -4.95 0.00 0.00 -0.01 0.00 0.00 64.34 59.45 1wgr n VAL 81 Cb 0.56 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1wgr n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wgr n GLY 82 N 1.80 -0.22 3.80 2.92 0.00 -1.26 -5.12 105.19 107.12 1wgr n GLY 82 Ca 0.43 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.51 2.38 -0.67 -0.02 0.00 -1.26 -4.97 107.32 101.28 1wgr s GLY 83 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.35 1wgr s GLY 83 CO 0.00 0.23 3.28 1.22 0.00 0.00 0.00 173.10 177.84 1wgr n ASP 84 N 2.42 6.71 -4.56 1.64 9.92 -1.26 -4.80 116.55 126.61 1wgr n ASP 84 Ca -0.13 -2.59 -0.41 0.00 -0.53 0.00 0.00 54.79 51.13 1wgr n ASP 84 Cb 0.52 -1.45 0.02 0.00 -0.64 0.00 0.00 41.12 39.57 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 2.74 0.51 -4.07 -2.24 7.64 -1.26 -4.47 113.62 112.47 1wgr n SER 85 Ca 0.57 0.95 -0.10 0.00 1.01 0.00 0.00 58.87 61.30 1wgr n SER 85 Cb 0.62 -1.29 -0.07 0.00 -1.01 0.00 0.00 64.21 62.46 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 -2.01 1.38 -0.24 1.43 1.04 -0.57 -4.96 118.95 115.02 1wgr s ARG 86 Ca 0.65 -1.38 -0.09 0.00 -1.04 0.00 0.00 55.73 53.87 1wgr s ARG 86 Cb -0.54 0.39 -0.04 0.00 -2.04 0.00 0.00 34.95 32.71 1wgr s ARG 86 CO 0.56 -0.53 0.11 -0.06 -0.04 0.00 0.00 175.30 175.34 1wgr s PHE 87 N -4.07 3.20 0.08 5.89 0.08 -1.25 0.17 117.98 122.08 1wgr s PHE 87 Ca 0.28 -0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.29 1wgr s PHE 87 Cb 0.03 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 1wgr s PHE 87 CO 0.09 -0.10 0.18 0.08 -0.10 0.00 0.00 175.22 175.37 1wgr s VAL 88 N 1.22 5.15 -0.28 -0.44 1.01 0.48 -1.03 120.40 126.51 1wgr s VAL 88 Ca 0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1wgr s VAL 88 Cb -0.14 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1wgr s VAL 88 CO 0.05 0.10 0.03 0.12 0.00 0.00 0.00 175.10 175.40 1wgr s PHE 89 N -1.51 3.13 0.07 5.22 5.36 -0.28 0.03 117.98 129.99 1wgr s PHE 89 Ca 0.33 -1.20 -0.07 0.00 -0.96 0.00 0.00 56.93 55.03 1wgr s PHE 89 Cb -0.12 -2.18 -0.01 0.00 -0.34 0.00 0.00 43.02 40.36 1wgr s PHE 89 CO 0.26 -0.64 0.14 -0.98 -1.46 0.00 0.00 175.22 172.54 1wgr s ARG 90 N 1.43 0.76 -0.04 10.12 1.70 -1.26 -4.24 118.95 127.42 1wgr s ARG 90 Ca 0.01 -0.97 0.11 0.00 -0.47 0.00 0.00 55.73 54.42 1wgr s ARG 90 Cb -0.17 0.30 -0.17 0.00 -0.57 0.00 0.00 34.95 34.34 1wgr s ARG 90 CO 0.00 -0.22 0.20 0.36 -1.08 0.00 0.00 175.30 174.56 1wgr n LYS 91 N 0.10 0.90 -4.03 3.89 2.85 -1.26 -3.54 118.16 117.07 1wgr n LYS 91 Ca -0.15 -0.08 -0.31 0.00 -1.05 0.00 0.00 58.31 56.71 1wgr n LYS 91 Cb 0.61 -1.28 -0.15 0.00 -0.65 0.00 0.00 35.03 33.56 1wgr n LYS 91 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1wgr s ASN 92 N -3.66 4.29 0.00 -5.58 2.47 -1.26 -4.78 114.94 106.41 1wgr s ASN 92 Ca -0.05 -1.37 0.00 0.00 0.42 0.00 0.00 52.86 51.87 1wgr s ASN 92 Cb 0.06 -1.44 0.00 0.00 -1.45 0.00 0.00 41.25 38.42 1wgr s ASN 92 CO 0.48 -0.21 0.00 0.33 -3.72 0.00 0.00 177.10 173.98 1wgr n PHE 93 N 4.49 -0.08 -3.15 0.43 -0.00 -1.26 -5.10 117.46 112.79 1wgr n PHE 93 Ca -0.13 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.38 1wgr n PHE 93 Cb 0.43 0.02 -0.01 0.00 -0.00 0.00 0.00 39.48 39.91 1wgr n PHE 93 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1wgr s ALA 94 N -1.06 -3.99 -0.30 3.13 0.00 -1.26 -5.07 121.76 113.21 1wgr s ALA 94 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 1wgr s ALA 94 Cb 0.00 -2.70 0.17 0.00 0.00 0.00 0.00 23.12 20.59 1wgr s ALA 94 CO 0.00 -1.71 0.88 -1.12 0.00 0.00 0.00 175.76 173.82 1wgr s SER 95 N 2.98 -0.79 -0.70 0.00 0.01 -1.26 -5.02 113.70 108.93 1wgr s SER 95 Ca 0.04 0.74 -0.35 0.00 1.31 0.00 0.00 55.95 57.68 1wgr s SER 95 Cb -0.06 1.76 -0.18 0.00 0.21 0.00 0.00 66.02 67.74 1wgr s SER 95 CO -0.12 -0.15 2.42 0.61 0.41 0.00 0.00 173.24 176.41 1wgr n GLY 96 N 5.29 -0.18 2.52 3.44 0.00 -1.26 -4.73 105.19 110.27 1wgr n GLY 96 Ca -0.07 1.07 -0.30 0.00 0.00 0.00 0.00 46.02 46.72 1wgr n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgr n PRO 97 N 8.17 2.72 -1.17 1.61 -0.04 -1.26 -4.93 135.00 140.10 1wgr n PRO 97 Ca 0.56 -1.81 -0.36 0.00 -0.04 0.00 0.00 63.50 61.85 1wgr n PRO 97 Cb 0.08 -2.64 0.07 0.00 -0.04 0.00 0.00 33.50 30.97 1wgr n PRO 97 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wgr n SER 98 N 4.19 -1.97 0.21 3.54 3.41 -1.26 -4.89 113.62 116.85 1wgr n SER 98 Ca 0.58 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1wgr n SER 98 Cb 0.19 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1wgr n SER 98 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgr n SER 99 N 0.15 -3.53 0.00 4.04 2.88 -1.26 -5.27 113.62 110.63 1wgr n SER 99 Ca 0.08 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1wgr n SER 99 Cb 0.51 3.33 0.00 0.00 -0.75 0.00 0.00 64.21 67.30 1wgr n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42