#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 6.08 -0.32 1.61 0.15 -1.26 -3.29 113.70 116.66 1wgr s SER 2 Ca 0.00 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 56.09 1wgr s SER 2 Cb 0.00 -2.15 0.15 0.00 -1.71 0.00 0.00 66.02 62.31 1wgr s SER 2 CO 0.00 -0.31 0.34 -0.55 1.20 0.00 0.00 173.24 173.92 1wgr s SER 3 N 1.71 1.35 1.95 5.45 0.15 -1.26 -4.99 113.70 118.06 1wgr s SER 3 Ca 0.06 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.64 1wgr s SER 3 Cb -0.18 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1wgr s SER 3 CO 0.10 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1wgr n GLY 4 N 4.87 4.22 3.41 9.45 0.00 -1.26 -4.02 105.19 121.86 1wgr n GLY 4 Ca 0.04 0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1wgr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgr s SER 5 N -4.00 6.35 0.33 1.61 0.15 -1.26 -4.86 113.70 112.01 1wgr s SER 5 Ca 0.00 -1.61 0.00 0.00 0.70 0.00 0.00 55.95 55.04 1wgr s SER 5 Cb 0.00 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1wgr s SER 5 CO 0.00 -1.13 0.00 -0.24 1.20 0.00 0.00 173.24 173.07 1wgr n SER 6 N 6.47 -5.21 -4.08 5.45 2.88 -1.26 -5.06 113.62 112.82 1wgr n SER 6 Ca 0.02 0.93 -0.08 0.00 -1.33 0.00 0.00 58.87 58.41 1wgr n SER 6 Cb 0.45 -2.50 -0.10 0.00 -0.75 0.00 0.00 64.21 61.31 1wgr n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgr s GLY 7 N -3.67 0.47 0.07 0.46 0.00 -1.21 -4.36 107.32 99.08 1wgr s GLY 7 Ca 0.00 -1.09 0.06 0.00 0.00 0.00 0.00 44.72 43.69 1wgr s GLY 7 CO 0.00 -1.19 -0.16 0.50 0.00 0.00 0.00 173.10 172.25 1wgr s ARG 8 N -3.32 0.96 0.98 2.90 1.81 -1.26 -4.16 118.95 116.86 1wgr s ARG 8 Ca 0.02 -0.96 -0.14 0.00 -1.72 0.00 0.00 55.73 52.93 1wgr s ARG 8 Cb 0.03 -1.04 0.18 0.00 -0.45 0.00 0.00 34.95 33.67 1wgr s ARG 8 CO -0.07 0.24 1.17 -1.25 -0.68 0.00 0.00 175.30 174.71 1wgr s PRO 9 N -1.59 0.59 -0.39 3.54 0.04 -1.26 -3.93 135.00 131.99 1wgr s PRO 9 Ca 0.02 0.08 -0.09 0.00 0.04 0.00 0.00 61.00 61.04 1wgr s PRO 9 Cb -0.09 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.71 1wgr s PRO 9 CO 0.02 -2.53 0.22 -1.01 0.04 0.00 0.00 177.00 173.74 1wgr s HIS 10 N -3.35 3.29 -0.83 0.56 3.76 0.29 -4.98 115.29 114.03 1wgr s HIS 10 Ca 0.67 -1.31 -0.20 0.00 -0.15 0.00 0.00 55.06 54.08 1wgr s HIS 10 Cb -0.12 -2.66 0.11 0.00 1.11 0.00 0.00 32.58 31.02 1wgr s HIS 10 CO 0.54 -0.76 1.06 0.08 -0.85 0.00 0.00 174.74 174.81 1wgr s VAL 11 N 1.47 4.59 0.03 -0.90 1.01 -1.26 -2.08 120.40 123.26 1wgr s VAL 11 Ca 0.02 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1wgr s VAL 11 Cb -0.21 -4.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.39 1wgr s VAL 11 CO 0.04 -1.48 1.04 -0.69 0.00 0.00 0.00 175.10 174.01 1wgr s VAL 12 N 3.16 4.58 -0.43 2.92 1.01 -1.07 -4.88 120.40 125.70 1wgr s VAL 12 Ca 0.29 1.88 -0.11 0.00 0.00 0.00 0.00 61.98 64.04 1wgr s VAL 12 Cb -0.09 -4.20 0.08 0.00 0.00 0.00 0.00 36.38 32.16 1wgr s VAL 12 CO -0.03 0.16 0.29 -0.54 0.00 0.00 0.00 175.10 174.99 1wgr s LYS 13 N 0.92 2.70 -0.17 2.72 1.02 -1.26 -1.71 119.74 123.95 1wgr s LYS 13 Ca 0.53 -1.43 -0.09 0.00 0.02 0.00 0.00 55.97 55.01 1wgr s LYS 13 Cb -0.24 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 33.16 1wgr s LYS 13 CO 0.29 -0.97 0.13 0.08 -0.92 0.00 0.00 175.35 173.96 1wgr s VAL 14 N 1.48 5.40 0.01 3.17 1.01 0.31 -3.89 120.40 127.88 1wgr s VAL 14 Ca 0.03 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1wgr s VAL 14 Cb -0.23 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1wgr s VAL 14 CO 0.03 0.50 0.14 -0.31 0.00 0.00 0.00 175.10 175.46 1wgr s TYR 15 N -0.08 3.41 -0.01 5.22 1.51 -0.39 -0.75 117.35 126.27 1wgr s TYR 15 Ca 0.10 0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 56.42 1wgr s TYR 15 Cb -0.11 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1wgr s TYR 15 CO -0.00 0.60 0.07 -1.12 -1.11 0.00 0.00 175.55 173.99 1wgr s SER 16 N -1.94 5.64 0.24 2.29 0.01 -0.36 -2.09 113.70 117.49 1wgr s SER 16 Ca 0.26 0.14 -0.16 0.00 1.31 0.00 0.00 55.95 57.50 1wgr s SER 16 Cb -0.12 -1.61 0.27 0.00 0.21 0.00 0.00 66.02 64.77 1wgr s SER 16 CO 0.18 0.28 1.55 -0.33 0.41 0.00 0.00 173.24 175.33 1wgr h GLU 17 N 4.16 -0.00 -0.80 12.44 5.08 -1.89 1.22 114.58 134.79 1wgr h GLU 17 Ca -0.49 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.06 1wgr h GLU 17 Cb 1.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 1wgr h GLU 17 CO 0.62 -0.00 0.13 0.22 -1.00 0.00 0.00 179.01 178.97 1wgr h ASP 18 N -0.00 -0.14 0.00 1.42 1.82 -1.95 -3.45 116.42 114.12 1wgr h ASP 18 Ca 0.37 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1wgr h ASP 18 Cb 0.62 0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1wgr h ASP 18 CO -0.99 -0.14 0.00 0.61 -1.61 0.00 0.00 179.24 177.11 1wgr n GLY 19 N -1.39 1.32 3.63 -0.78 0.00 0.42 -5.10 105.19 103.29 1wgr n GLY 19 Ca 0.17 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.74 -2.73 4.61 0.00 -1.25 -4.47 120.51 115.94 1wgr n ALA 20 Ca 0.00 0.48 -0.35 0.00 0.00 0.00 0.00 53.44 53.56 1wgr n ALA 20 Cb 0.00 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.24 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 0.47 0.37 0.17 0.00 1.70 0.07 -5.01 118.95 116.71 1wgr s ARG 22 Ca 0.08 -0.47 0.05 0.00 -0.47 0.00 0.00 55.73 54.91 1wgr s ARG 22 Cb -0.11 -0.17 -0.05 0.00 -0.57 0.00 0.00 34.95 34.05 1wgr s ARG 22 CO -0.01 0.03 -0.10 -1.54 -1.08 0.00 0.00 175.30 172.60 1wgr s SER 23 N -0.98 1.98 0.04 -2.89 1.04 -1.26 0.11 113.70 111.75 1wgr s SER 23 Ca -0.07 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.34 1wgr s SER 23 Cb -0.07 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 1wgr s SER 23 CO -0.00 -0.31 -0.06 0.68 0.98 0.00 0.00 173.24 174.53 1wgr s VAL 24 N -3.25 0.39 -0.39 5.02 -7.23 -0.70 -4.97 120.40 109.27 1wgr s VAL 24 Ca 0.19 -1.10 -0.23 0.00 -1.81 0.00 0.00 61.98 59.03 1wgr s VAL 24 Cb 0.02 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.38 1wgr s VAL 24 CO 0.03 -0.48 0.78 -1.61 -0.31 0.00 0.00 175.10 173.51 1wgr s GLU 25 N -1.77 3.66 0.37 4.82 2.02 -1.26 -2.58 118.70 123.95 1wgr s GLU 25 Ca -0.10 0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.12 1wgr s GLU 25 Cb -0.08 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 1wgr s GLU 25 CO -0.01 -0.92 0.15 0.14 0.02 0.00 0.00 175.26 174.64 1wgr s VAL 26 N 3.15 0.50 0.04 2.63 -7.23 -0.88 -5.00 120.40 113.60 1wgr s VAL 26 Ca 0.31 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.44 1wgr s VAL 26 Cb -0.13 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1wgr s VAL 26 CO 0.19 0.00 0.07 0.00 -0.31 0.00 0.00 175.10 175.04 1wgr s ALA 27 N -3.33 0.02 -0.91 1.32 0.00 -1.26 -0.55 121.76 117.04 1wgr s ALA 27 Ca 0.29 -0.62 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 1wgr s ALA 27 Cb 0.03 0.23 -0.22 0.00 0.00 0.00 0.00 23.12 23.17 1wgr s ALA 27 CO 0.17 -0.30 2.50 0.00 0.00 0.00 0.00 175.76 178.13 1wgr n ALA 28 N 0.83 0.58 0.00 0.00 0.00 -1.26 -1.89 120.51 118.78 1wgr n ALA 28 Ca -0.19 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1wgr n ALA 28 Cb 0.58 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 6.19 0.84 3.47 0.00 0.00 -1.26 -5.14 105.19 109.29 1wgr n GLY 29 Ca 0.61 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.67 -2.75 4.61 0.00 -0.79 -4.99 120.51 114.93 1wgr n ALA 30 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.79 1wgr n ALA 30 Cb 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 19.45 17.51 1wgr n ALA 30 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wgr s THR 31 N -2.03 1.16 0.65 0.00 -4.23 -1.26 -4.17 115.64 105.75 1wgr s THR 31 Ca 0.64 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.50 1wgr s THR 31 Cb -0.31 -2.19 0.37 0.00 1.34 0.00 0.00 72.50 71.70 1wgr s THR 31 CO 0.60 0.00 2.13 0.00 -0.54 0.00 0.00 174.62 176.81 1wgr h ALA 32 N 1.38 1.32 0.01 3.99 0.00 -0.32 0.60 119.26 126.25 1wgr h ALA 32 Ca -0.44 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 1wgr h ALA 32 Cb 1.31 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1wgr h ALA 32 CO 0.74 -0.20 -0.61 -0.09 0.00 0.00 0.00 179.25 179.08 1wgr h ARG 33 N 0.00 0.39 0.02 0.00 9.65 -1.80 -2.37 114.38 120.27 1wgr h ARG 33 Ca 0.02 -0.44 0.03 0.00 -1.10 0.00 0.00 59.98 58.49 1wgr h ARG 33 Cb 0.38 0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.04 1wgr h ARG 33 CO -0.00 1.11 -0.45 0.45 2.80 0.00 0.00 179.97 183.88 1wgr h HIS 34 N -0.14 -1.28 0.01 2.20 3.86 -1.20 0.44 115.15 119.03 1wgr h HIS 34 Ca -0.08 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1wgr h HIS 34 Cb 1.34 0.56 -0.04 0.00 1.06 0.00 0.00 27.41 30.33 1wgr h HIS 34 CO 0.15 -0.52 -0.19 0.28 0.86 0.00 0.00 177.93 178.51 1wgr h VAL 35 N -0.62 0.56 -0.98 2.45 2.07 -1.62 1.44 116.25 119.56 1wgr h VAL 35 Ca 0.04 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.81 1wgr h VAL 35 Cb 0.68 0.56 -0.13 0.00 -1.52 0.00 0.00 31.29 30.87 1wgr h VAL 35 CO -0.31 0.00 0.54 0.00 0.02 0.00 0.00 177.57 177.82 1wgr h GLU 37 N 0.48 0.47 0.00 0.00 4.39 0.18 -0.11 114.58 119.99 1wgr h GLU 37 Ca 0.65 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1wgr h GLU 37 Cb 1.30 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1wgr h GLU 37 CO -0.52 1.14 -0.06 0.52 -1.16 0.00 0.00 179.01 178.93 1wgr h MET 38 N -0.01 0.00 0.00 2.33 2.86 0.57 0.95 114.93 121.62 1wgr h MET 38 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1wgr h MET 38 Cb 1.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1wgr h MET 38 CO 0.13 0.06 -0.36 -0.07 1.06 0.00 0.00 176.91 177.73 1wgr h LEU 39 N 0.00 0.00 -0.70 1.22 3.38 0.17 -3.37 115.31 116.00 1wgr h LEU 39 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.12 1wgr h LEU 39 Cb 0.23 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.86 1wgr h LEU 39 CO 0.01 0.66 0.03 -0.37 0.09 0.00 0.00 178.44 178.86 1wgr h VAL 40 N -0.95 0.42 -4.92 1.22 -1.51 -0.96 -3.47 116.25 106.07 1wgr h VAL 40 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1wgr h VAL 40 Cb 0.36 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 1wgr h VAL 40 CO 0.00 0.02 -0.44 0.00 -1.23 0.00 0.00 177.57 175.93 1wgr n GLN 41 N -5.29 -2.05 0.15 5.19 6.02 0.32 -5.00 117.38 116.72 1wgr n GLN 41 Ca 0.12 1.90 0.00 0.00 -0.01 0.00 0.00 57.00 59.01 1wgr n GLN 41 Cb 0.43 -5.03 0.00 0.00 1.02 0.00 0.00 30.24 26.66 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 -0.30 0.00 0.00 -1.09 0.00 -1.26 -5.12 116.66 108.89 1wgr n ARG 42 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1wgr n ARG 42 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.84 1wgr n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wgr n ALA 43 N -3.24 -2.46 -3.18 5.13 0.00 -1.26 -4.92 120.51 110.57 1wgr n ALA 43 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1wgr n ALA 43 Cb 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 19.45 19.05 1wgr n ALA 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1wgr n HIS 44 N -0.39 -2.29 -2.65 0.00 8.25 -1.26 -4.93 115.22 111.95 1wgr n HIS 44 Ca 0.00 0.82 -0.36 0.00 -0.26 0.00 0.00 57.72 57.93 1wgr n HIS 44 Cb 0.00 -4.17 0.00 0.00 1.12 0.00 0.00 29.99 26.94 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 -3.26 5.64 -2.33 -1.41 0.00 -1.26 -5.01 120.51 112.88 1wgr n ALA 45 Ca -0.10 -4.58 -0.42 0.00 0.00 0.00 0.00 53.44 48.34 1wgr n ALA 45 Cb 0.62 -1.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -4.00 4.27 -0.10 0.00 2.01 -1.26 -4.29 118.68 115.31 1wgr s LEU 46 Ca 0.44 1.93 -0.05 0.00 0.01 0.00 0.00 54.13 56.46 1wgr s LEU 46 Cb 0.25 -3.55 0.02 0.00 0.01 0.00 0.00 46.19 42.92 1wgr s LEU 46 CO -0.17 -0.71 0.09 -0.24 1.01 0.00 0.00 176.35 176.34 1wgr n SER 47 N 5.79 -4.90 0.00 2.29 2.88 -1.26 -4.92 113.62 113.50 1wgr n SER 47 Ca 0.13 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1wgr n SER 47 Cb 0.45 -3.33 0.00 0.00 -0.75 0.00 0.00 64.21 60.58 1wgr n SER 47 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wgr n ASP 48 N 1.88 0.00 -3.06 -3.46 8.00 -1.26 -5.00 116.55 113.65 1wgr n ASP 48 Ca -0.16 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.13 1wgr n ASP 48 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1wgr n ASP 48 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wgr n GLU 49 N 0.00 1.97 -0.32 -1.24 1.02 -1.26 -4.96 120.64 115.84 1wgr n GLU 49 Ca 0.00 -4.02 -0.09 0.00 -0.02 0.00 0.00 57.16 53.03 1wgr n GLU 49 Cb 0.00 -1.93 -0.08 0.00 -0.02 0.00 0.00 31.44 29.41 1wgr n GLU 49 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1wgr h THR 50 N 1.90 0.00 -2.58 2.62 2.02 -1.95 -3.47 112.91 111.45 1wgr h THR 50 Ca 0.11 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.55 1wgr h THR 50 Cb 0.78 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.05 1wgr h THR 50 CO 0.64 0.00 -0.90 0.79 0.37 0.00 0.00 175.52 176.42 1wgr n TRP 51 N -4.82 -2.86 -3.73 3.16 7.02 -1.26 -4.92 117.44 110.04 1wgr n TRP 51 Ca 0.01 1.57 -0.09 0.00 -1.02 0.00 0.00 57.50 57.97 1wgr n TRP 51 Cb 0.21 -2.60 0.01 0.00 -2.42 0.00 0.00 31.31 26.52 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 -3.76 1.43 3.78 6.99 0.00 -1.22 -4.99 105.19 107.43 1wgr n GLY 52 Ca -0.06 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 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 3.78 -0.14 0.99 1.43 -1.26 -3.65 118.68 119.83 1wgr s LEU 53 Ca 0.16 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1wgr s LEU 53 Cb -0.03 -2.44 0.05 0.00 0.03 0.00 0.00 46.19 43.80 1wgr s LEU 53 CO 0.12 0.14 0.04 -0.69 0.23 0.00 0.00 176.35 176.19 1wgr s VAL 54 N -1.50 0.27 0.15 -1.59 1.01 0.11 -2.54 120.40 116.31 1wgr s VAL 54 Ca 0.30 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1wgr s VAL 54 Cb -0.11 -0.71 -0.07 0.00 0.00 0.00 0.00 36.38 35.49 1wgr s VAL 54 CO 0.22 -0.07 1.20 -1.83 0.00 0.00 0.00 175.10 174.61 1wgr s GLU 55 N 1.99 4.48 -0.01 2.72 -1.05 0.39 0.19 118.70 127.40 1wgr s GLU 55 Ca 0.02 1.84 0.05 0.00 -0.15 0.00 0.00 54.97 56.72 1wgr s GLU 55 Cb -0.15 -3.28 -0.03 0.00 -0.44 0.00 0.00 34.13 30.24 1wgr s GLU 55 CO -0.07 -0.13 -0.15 0.00 0.95 0.00 0.00 175.26 175.86 1wgr s HIS 57 N -0.83 3.46 -0.70 0.00 3.76 -0.89 -1.96 115.29 118.12 1wgr s HIS 57 Ca 0.13 -2.74 -0.06 0.00 -0.15 0.00 0.00 55.06 52.24 1wgr s HIS 57 Cb -0.11 -3.11 -0.13 0.00 1.11 0.00 0.00 32.58 30.35 1wgr s HIS 57 CO 0.03 -0.87 2.64 -0.35 -0.85 0.00 0.00 174.74 175.34 1wgr n PRO 58 N 3.81 2.24 0.00 8.40 -0.04 -1.26 -0.86 135.00 147.29 1wgr n PRO 58 Ca 0.04 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 1wgr n PRO 58 Cb 0.38 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.38 -0.23 0.90 0.54 1.44 -1.26 -4.40 115.22 115.59 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 0.05 0.02 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 -1.27 2.14 -3.75 2.39 4.77 -1.07 -4.98 117.00 115.23 1wgr n LEU 60 Ca 0.00 -0.83 -0.22 0.00 -0.03 0.00 0.00 56.01 54.93 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 0.39 -0.10 0.00 -1.33 0.00 0.00 177.39 176.35 1wgr n ALA 61 N 0.29 -2.01 -2.60 -1.18 0.00 -0.04 -4.98 120.51 110.00 1wgr n ALA 61 Ca 0.09 -0.19 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 1wgr n ALA 61 Cb 0.45 -1.85 -0.08 0.00 0.00 0.00 0.00 19.45 17.97 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 -6.73 3.03 -0.22 0.00 2.96 -1.22 -4.98 118.68 111.51 1wgr s LEU 62 Ca 0.00 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.16 1wgr s LEU 62 Cb -0.00 -1.58 0.10 0.00 0.50 0.00 0.00 46.19 45.21 1wgr s LEU 62 CO 0.83 0.03 0.22 -1.61 -1.32 0.00 0.00 176.35 174.49 1wgr s GLU 63 N -3.51 0.21 0.03 1.98 8.01 -1.26 -2.10 118.70 122.06 1wgr s GLU 63 Ca 0.30 0.07 0.09 0.00 0.01 0.00 0.00 54.97 55.44 1wgr s GLU 63 Cb -0.06 -1.14 -0.03 0.00 -4.31 0.00 0.00 34.13 28.59 1wgr s GLU 63 CO 0.18 -0.75 -0.25 0.50 0.01 0.00 0.00 175.26 174.95 1wgr s ARG 64 N 2.31 1.92 -0.09 1.61 6.06 -0.93 -5.00 118.95 124.82 1wgr s ARG 64 Ca 0.07 -1.05 -0.02 0.00 -2.50 0.00 0.00 55.73 52.24 1wgr s ARG 64 Cb -0.15 -2.03 -0.03 0.00 0.06 0.00 0.00 34.95 32.80 1wgr s ARG 64 CO -0.17 0.53 -0.00 0.20 -2.50 0.00 0.00 175.30 173.35 1wgr s GLY 65 N -1.11 1.84 0.11 8.12 0.00 -1.26 -0.46 107.32 114.56 1wgr s GLY 65 Ca 0.12 -0.81 0.08 0.00 0.00 0.00 0.00 44.72 44.11 1wgr s GLY 65 CO 0.02 -0.50 -0.16 0.48 0.00 0.00 0.00 173.10 172.93 1wgr s LEU 66 N -0.72 2.79 0.00 0.66 2.34 -1.05 -4.98 118.68 117.72 1wgr s LEU 66 Ca 0.11 -0.52 -0.07 0.00 0.06 0.00 0.00 54.13 53.72 1wgr s LEU 66 Cb -0.12 -1.62 0.10 0.00 -0.56 0.00 0.00 46.19 44.00 1wgr s LEU 66 CO 0.02 0.18 0.47 -0.62 -1.06 0.00 0.00 176.35 175.34 1wgr n GLU 67 N 0.76 -1.18 0.04 1.48 1.02 -1.26 -4.10 120.64 117.40 1wgr n GLU 67 Ca -0.15 -0.73 -0.11 0.00 -0.02 0.00 0.00 57.16 56.15 1wgr n GLU 67 Cb 0.53 -0.58 -0.08 0.00 -0.02 0.00 0.00 31.44 31.29 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 -1.18 -0.16 -1.12 1.62 2.03 -1.94 -3.15 116.42 112.51 1wgr h ASP 68 Ca -0.16 -0.38 0.31 0.00 -0.73 0.00 0.00 57.03 56.07 1wgr h ASP 68 Cb 0.47 0.04 -0.08 0.00 -0.83 0.00 0.00 39.33 38.93 1wgr h ASP 68 CO 0.11 0.41 0.75 1.12 -1.03 0.00 0.00 179.24 180.60 1wgr h HIS 69 N -0.86 0.41 -2.23 4.15 2.07 -1.96 -2.65 115.15 114.08 1wgr h HIS 69 Ca -0.02 0.01 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 1wgr h HIS 69 Cb 0.53 -0.12 0.04 0.00 2.57 0.00 0.00 27.41 30.44 1wgr h HIS 69 CO 0.09 0.01 0.94 0.39 -3.07 0.00 0.00 177.93 176.30 1wgr n GLU 70 N -4.47 2.26 -2.88 5.12 -0.58 -1.19 -4.75 120.64 114.14 1wgr n GLU 70 Ca 0.26 0.82 -0.41 0.00 -0.42 0.00 0.00 57.16 57.41 1wgr n GLU 70 Cb 1.06 -2.63 -0.04 0.00 -0.57 0.00 0.00 31.44 29.26 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 2.21 7.04 0.30 1.62 0.15 -1.26 -0.35 113.70 123.40 1wgr s SER 71 Ca 0.84 1.27 -0.00 0.00 0.70 0.00 0.00 55.95 58.75 1wgr s SER 71 Cb -0.65 -2.47 0.50 0.00 -1.71 0.00 0.00 66.02 61.68 1wgr s SER 71 CO 0.42 -0.33 1.94 -0.37 1.20 0.00 0.00 173.24 176.10 1wgr h VAL 72 N 5.05 1.13 0.46 4.45 -1.51 -1.84 0.37 116.25 124.36 1wgr h VAL 72 Ca -0.33 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.75 1wgr h VAL 72 Cb 1.16 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 1wgr h VAL 72 CO 0.81 0.19 -0.22 0.58 -1.23 0.00 0.00 177.57 177.70 1wgr h VAL 73 N 1.06 0.00 -1.04 7.19 2.07 -1.92 1.45 116.25 125.06 1wgr h VAL 73 Ca 0.35 -0.34 0.27 0.00 0.82 0.00 0.00 66.70 67.80 1wgr h VAL 73 Cb 0.06 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.73 1wgr h VAL 73 CO -0.11 0.00 0.66 -0.33 0.02 0.00 0.00 177.57 177.81 1wgr h GLU 74 N -0.96 0.41 0.12 1.57 5.08 -1.89 1.73 114.58 120.64 1wgr h GLU 74 Ca -0.06 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.00 1wgr h GLU 74 Cb 0.48 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1wgr h GLU 74 CO 0.10 0.27 -1.25 0.28 -1.00 0.00 0.00 179.01 177.41 1wgr h VAL 75 N 0.42 1.49 -0.17 3.13 2.07 -0.22 -2.66 116.25 120.31 1wgr h VAL 75 Ca 0.62 -3.06 -0.12 0.00 0.82 0.00 0.00 66.70 64.95 1wgr h VAL 75 Cb 1.49 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 34.18 1wgr h VAL 75 CO -0.34 0.89 -0.43 -0.61 0.02 0.00 0.00 177.57 177.10 1wgr h GLN 76 N 0.07 0.41 0.00 1.57 4.15 0.78 -2.60 115.11 119.49 1wgr h GLN 76 Ca -0.14 -0.21 -0.14 0.00 0.77 0.00 0.00 58.65 58.93 1wgr h GLN 76 Cb 1.97 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.64 1wgr h GLN 76 CO 0.20 0.77 -0.67 0.00 -1.93 0.00 0.00 178.83 177.20 1wgr h ALA 77 N 1.21 0.88 -0.29 3.38 0.00 0.22 -2.88 119.26 121.78 1wgr h ALA 77 Ca 0.03 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1wgr h ALA 77 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1wgr h ALA 77 CO 0.07 0.83 -0.11 0.00 0.00 0.00 0.00 179.25 180.05 1wgr h ALA 78 N 1.33 1.29 -2.52 0.00 0.00 -1.11 -3.44 119.26 114.81 1wgr h ALA 78 Ca -0.01 -0.25 -0.58 0.00 0.00 0.00 0.00 54.91 54.07 1wgr h ALA 78 Cb 1.19 -0.13 0.17 0.00 0.00 0.00 0.00 17.79 19.03 1wgr h ALA 78 CO 0.09 0.47 -0.35 0.91 0.00 0.00 0.00 179.25 180.37 1wgr n TRP 79 N -4.22 -0.58 -1.56 0.00 8.01 -1.04 -4.94 117.44 113.11 1wgr n TRP 79 Ca 0.01 0.42 -0.30 0.00 -1.31 0.00 0.00 57.50 56.31 1wgr n TRP 79 Cb 0.31 -1.96 0.09 0.00 -2.01 0.00 0.00 31.31 27.73 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 -2.32 2.16 -0.30 -0.99 0.04 -1.26 -5.02 135.00 127.30 1wgr s PRO 80 Ca 0.69 0.66 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 1wgr s PRO 80 Cb -0.42 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1wgr s PRO 80 CO 0.54 -1.57 0.31 0.54 0.04 0.00 0.00 177.00 176.87 1wgr s VAL 81 N -3.15 5.21 0.00 -0.36 0.11 -1.26 -4.46 120.40 116.50 1wgr s VAL 81 Ca 0.60 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 1wgr s VAL 81 Cb -0.14 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 1wgr s VAL 81 CO 0.54 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 1wgr n GLY 82 N 4.91 2.22 3.59 6.54 0.00 -1.26 -5.13 105.19 116.07 1wgr n GLY 82 Ca -0.10 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 1.61 -0.55 -0.02 0.00 -1.26 -4.90 107.32 102.20 1wgr s GLY 83 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.85 1wgr s GLY 83 CO 0.00 0.72 2.10 1.22 0.00 0.00 0.00 173.10 177.14 1wgr n ASP 84 N -4.51 7.18 -4.13 1.64 8.00 -1.26 -5.00 116.55 118.46 1wgr n ASP 84 Ca 0.07 -3.50 -0.38 0.00 0.71 0.00 0.00 54.79 51.69 1wgr n ASP 84 Cb 0.54 -1.04 0.02 0.00 -0.02 0.00 0.00 41.12 40.62 1wgr n ASP 84 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wgr n SER 85 N -0.30 -4.20 -3.53 -2.24 3.41 -1.26 -4.57 113.62 100.94 1wgr n SER 85 Ca 0.50 0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 59.60 1wgr n SER 85 Cb 0.58 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1wgr n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wgr s ARG 86 N -1.23 1.31 0.32 4.33 1.04 -0.83 -4.98 118.95 118.90 1wgr s ARG 86 Ca 0.52 -0.79 0.08 0.00 -1.04 0.00 0.00 55.73 54.50 1wgr s ARG 86 Cb -0.41 0.40 -0.03 0.00 -2.04 0.00 0.00 34.95 32.87 1wgr s ARG 86 CO 0.69 -0.61 0.24 -0.06 -0.04 0.00 0.00 175.30 175.53 1wgr s PHE 87 N -2.73 2.91 0.04 5.89 0.08 -1.25 0.76 117.98 123.68 1wgr s PHE 87 Ca 0.17 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.96 1wgr s PHE 87 Cb -0.02 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 1wgr s PHE 87 CO 0.04 0.29 -0.06 0.08 -0.10 0.00 0.00 175.22 175.47 1wgr s VAL 88 N -2.29 0.38 -0.24 -0.44 1.01 0.51 -1.26 120.40 118.07 1wgr s VAL 88 Ca 0.38 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1wgr s VAL 88 Cb -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1wgr s VAL 88 CO 0.25 -0.54 -0.08 0.12 0.00 0.00 0.00 175.10 174.85 1wgr s PHE 89 N -1.92 3.07 0.11 5.22 5.36 -0.89 0.09 117.98 129.03 1wgr s PHE 89 Ca -0.08 -1.70 -0.12 0.00 -0.96 0.00 0.00 56.93 54.08 1wgr s PHE 89 Cb -0.06 -2.03 0.01 0.00 -0.34 0.00 0.00 43.02 40.60 1wgr s PHE 89 CO -0.02 -0.77 0.28 -0.98 -1.46 0.00 0.00 175.22 172.28 1wgr s ARG 90 N 1.28 0.96 -0.03 10.12 1.70 -1.24 -4.34 118.95 127.40 1wgr s ARG 90 Ca -0.01 -0.88 0.10 0.00 -0.47 0.00 0.00 55.73 54.47 1wgr s ARG 90 Cb -0.17 0.39 -0.16 0.00 -0.57 0.00 0.00 34.95 34.45 1wgr s ARG 90 CO -0.05 -0.34 0.20 0.36 -1.08 0.00 0.00 175.30 174.39 1wgr n LYS 91 N -0.14 0.67 -3.77 3.89 2.85 -1.26 -3.43 118.16 116.97 1wgr n LYS 91 Ca -0.15 -0.08 -0.28 0.00 -1.05 0.00 0.00 58.31 56.75 1wgr n LYS 91 Cb 0.63 -1.25 -0.11 0.00 -0.65 0.00 0.00 35.03 33.64 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 -1.96 2.36 -4.53 -5.58 3.02 -1.26 -4.93 115.26 102.39 1wgr n ASN 92 Ca -0.04 -3.06 -0.34 0.00 -0.03 0.00 0.00 54.58 51.11 1wgr n ASN 92 Cb 0.37 -0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 38.71 1wgr n ASN 92 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wgr s PHE 93 N -1.23 2.89 -0.42 3.10 5.36 -1.26 -4.66 117.98 121.76 1wgr s PHE 93 Ca 0.27 -0.12 -0.02 0.00 -0.96 0.00 0.00 56.93 56.11 1wgr s PHE 93 Cb -0.01 -1.74 -0.02 0.00 -0.34 0.00 0.00 43.02 40.91 1wgr s PHE 93 CO -0.17 0.21 0.36 0.00 -1.46 0.00 0.00 175.22 174.16 1wgr n ALA 94 N 2.52 -1.17 0.15 11.12 0.00 -1.26 -4.97 120.51 126.90 1wgr n ALA 94 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1wgr n ALA 94 Cb 0.53 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1wgr n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgr n SER 95 N -2.10 -0.67 -3.54 0.00 2.88 -1.26 -5.17 113.62 103.75 1wgr n SER 95 Ca -0.05 0.51 -0.05 0.00 -1.33 0.00 0.00 58.87 57.95 1wgr n SER 95 Cb 0.55 0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 64.84 1wgr n SER 95 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgr s GLY 96 N -4.51 -0.01 0.02 0.46 0.00 -1.26 -5.14 107.32 96.87 1wgr s GLY 96 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.17 1wgr s GLY 96 CO 0.00 0.37 1.18 2.56 0.00 0.00 0.00 173.10 177.21 1wgr s PRO 97 N -3.04 4.42 0.59 2.90 0.04 -1.26 -4.79 135.00 133.86 1wgr s PRO 97 Ca 0.14 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1wgr s PRO 97 Cb -0.03 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1wgr s PRO 97 CO 0.06 -0.30 0.00 0.45 0.04 0.00 0.00 177.00 177.25 1wgr n SER 98 N 4.30 -7.57 -0.03 6.66 2.88 -1.26 -4.95 113.62 113.65 1wgr n SER 98 Ca 0.09 1.49 -0.07 0.00 -1.33 0.00 0.00 58.87 59.06 1wgr n SER 98 Cb 0.47 -4.87 -0.02 0.00 -0.75 0.00 0.00 64.21 59.03 1wgr n SER 98 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgr n SER 99 N -3.90 1.50 -0.76 -3.46 2.88 -1.26 -5.12 113.62 103.50 1wgr n SER 99 Ca -0.07 0.24 0.10 0.00 -1.33 0.00 0.00 58.87 57.80 1wgr n SER 99 Cb 0.61 -0.55 0.08 0.00 -0.75 0.00 0.00 64.21 63.60 1wgr n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42