#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgr h SER 2 N 0.00 0.00 -3.57 1.61 0.02 -2.00 -3.51 113.55 106.10 1wgr h SER 2 Ca 0.00 -0.14 0.36 0.00 -0.84 0.00 0.00 61.79 61.17 1wgr h SER 2 Cb 0.00 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.35 1wgr h SER 2 CO 0.00 0.92 -1.22 -1.20 -1.14 0.00 0.00 176.83 174.19 1wgr n SER 3 N -4.58 -8.24 -4.22 3.07 7.64 -1.26 -4.35 113.62 101.67 1wgr n SER 3 Ca -0.13 1.39 -0.43 0.00 1.01 0.00 0.00 58.87 60.71 1wgr n SER 3 Cb 0.35 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.53 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 -4.39 3.70 3.43 0.23 0.00 -1.26 -4.81 105.19 102.09 1wgr n GLY 4 Ca -0.08 -1.83 0.01 0.00 0.00 0.00 0.00 46.02 44.12 1wgr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgr s SER 5 N 2.75 -0.71 -0.02 1.61 1.04 -1.26 -5.05 113.70 112.05 1wgr s SER 5 Ca 0.45 0.93 -0.00 0.00 0.48 0.00 0.00 55.95 57.82 1wgr s SER 5 Cb 0.05 1.79 0.00 0.00 0.10 0.00 0.00 66.02 67.96 1wgr s SER 5 CO 0.01 -0.14 0.00 -1.20 0.98 0.00 0.00 173.24 172.89 1wgr n SER 6 N 5.11 -6.73 0.00 7.02 7.64 -1.26 -4.97 113.62 120.43 1wgr n SER 6 Ca -0.09 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1wgr n SER 6 Cb 0.52 -1.80 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 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 1.42 1.82 3.16 0.23 0.00 -1.26 -4.93 105.19 105.64 1wgr n GLY 7 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1wgr n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wgr n ARG 8 N -0.17 0.00 -1.54 1.61 1.85 -1.26 -4.93 116.66 112.22 1wgr n ARG 8 Ca 0.00 0.01 -0.29 0.00 -1.00 0.00 0.00 57.85 56.57 1wgr n ARG 8 Cb 0.00 -1.20 0.11 0.00 -1.05 0.00 0.00 32.46 30.32 1wgr n ARG 8 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1wgr s PRO 9 N -2.06 1.60 -0.38 2.89 0.04 -1.26 -5.00 135.00 130.83 1wgr s PRO 9 Ca 0.49 0.46 -0.16 0.00 0.04 0.00 0.00 61.00 61.83 1wgr s PRO 9 Cb -0.28 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1wgr s PRO 9 CO 0.74 -1.91 0.39 -1.01 0.04 0.00 0.00 177.00 175.25 1wgr s HIS 10 N -3.22 3.19 -0.86 0.56 3.76 0.27 -4.96 115.29 114.03 1wgr s HIS 10 Ca 0.62 -0.24 -0.19 0.00 -0.15 0.00 0.00 55.06 55.11 1wgr s HIS 10 Cb -0.15 -2.76 0.13 0.00 1.11 0.00 0.00 32.58 30.91 1wgr s HIS 10 CO 0.54 -0.57 1.05 0.08 -0.85 0.00 0.00 174.74 174.99 1wgr s VAL 11 N 2.04 4.76 -0.02 -0.90 1.01 -1.26 -1.76 120.40 124.26 1wgr s VAL 11 Ca 0.11 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 1wgr s VAL 11 Cb -0.17 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 1wgr s VAL 11 CO 0.12 -1.43 1.15 -0.69 0.00 0.00 0.00 175.10 174.25 1wgr s VAL 12 N 2.64 4.32 -0.55 2.92 1.01 -0.96 -4.85 120.40 124.93 1wgr s VAL 12 Ca 0.29 1.65 -0.13 0.00 0.00 0.00 0.00 61.98 63.79 1wgr s VAL 12 Cb -0.08 -4.06 0.14 0.00 0.00 0.00 0.00 36.38 32.38 1wgr s VAL 12 CO -0.06 0.05 0.48 -0.54 0.00 0.00 0.00 175.10 175.03 1wgr s LYS 13 N 1.72 2.87 -0.20 2.72 1.02 -1.26 -1.25 119.74 125.36 1wgr s LYS 13 Ca 0.55 -1.84 -0.19 0.00 0.02 0.00 0.00 55.97 54.51 1wgr s LYS 13 Cb -0.25 -4.17 -0.03 0.00 -0.52 0.00 0.00 37.83 32.86 1wgr s LYS 13 CO 0.24 -1.28 0.56 0.08 -0.92 0.00 0.00 175.35 174.03 1wgr s VAL 14 N 1.31 5.08 -0.10 3.17 1.01 0.26 -4.18 120.40 126.94 1wgr s VAL 14 Ca 0.06 1.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.99 1wgr s VAL 14 Cb -0.26 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1wgr s VAL 14 CO 0.00 0.15 0.18 -0.31 0.00 0.00 0.00 175.10 175.12 1wgr s TYR 15 N 1.73 3.61 0.01 5.22 2.02 -0.39 -1.11 117.35 128.44 1wgr s TYR 15 Ca 0.26 0.59 -0.05 0.00 -0.37 0.00 0.00 57.07 57.50 1wgr s TYR 15 Cb -0.16 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.36 1wgr s TYR 15 CO 0.10 0.71 0.25 -1.54 -1.57 0.00 0.00 175.55 173.50 1wgr s SER 16 N -1.00 6.45 0.27 2.29 1.04 -0.78 -2.78 113.70 119.20 1wgr s SER 16 Ca 0.16 0.49 -0.05 0.00 0.48 0.00 0.00 55.95 57.03 1wgr s SER 16 Cb -0.13 -2.06 0.53 0.00 0.10 0.00 0.00 66.02 64.47 1wgr s SER 16 CO 0.05 0.24 1.59 -0.33 0.98 0.00 0.00 173.24 175.78 1wgr h GLU 17 N 3.85 0.04 -0.64 4.02 5.08 -1.89 0.91 114.58 125.94 1wgr h GLU 17 Ca -0.49 -0.00 0.13 0.00 -1.00 0.00 0.00 59.36 57.99 1wgr h GLU 17 Cb 1.19 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1wgr h GLU 17 CO 0.68 0.02 0.13 0.22 -1.00 0.00 0.00 179.01 179.06 1wgr h ASP 18 N 0.04 -0.02 0.00 1.42 1.82 -1.96 -3.46 116.42 114.26 1wgr h ASP 18 Ca 0.48 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 57.25 1wgr h ASP 18 Cb 0.87 0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.06 1wgr h ASP 18 CO -0.84 -0.01 0.00 0.61 -1.61 0.00 0.00 179.24 177.38 1wgr n GLY 19 N -1.33 1.35 3.69 -0.78 0.00 0.31 -5.10 105.19 103.33 1wgr n GLY 19 Ca 0.10 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.33 -2.40 4.61 0.00 -1.26 -4.51 120.51 116.62 1wgr n ALA 20 Ca 0.00 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.48 1wgr n ALA 20 Cb 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.19 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 -1.35 0.23 0.09 0.00 0.52 -0.27 -5.00 118.95 113.16 1wgr s ARG 22 Ca 0.29 -0.42 0.07 0.00 -0.52 0.00 0.00 55.73 55.16 1wgr s ARG 22 Cb -0.17 0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.35 1wgr s ARG 22 CO 0.17 -0.04 -0.19 -1.54 0.02 0.00 0.00 175.30 173.72 1wgr s SER 23 N -1.02 2.34 0.01 0.23 1.04 -1.26 0.89 113.70 115.92 1wgr s SER 23 Ca -0.11 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 55.69 1wgr s SER 23 Cb -0.07 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 1wgr s SER 23 CO -0.01 0.04 -0.07 0.68 0.98 0.00 0.00 173.24 174.86 1wgr s VAL 24 N -1.14 0.55 -0.46 5.02 -7.23 -0.38 -4.97 120.40 111.78 1wgr s VAL 24 Ca 0.05 -0.45 -0.24 0.00 -1.81 0.00 0.00 61.98 59.52 1wgr s VAL 24 Cb -0.10 -0.49 0.03 0.00 0.56 0.00 0.00 36.38 36.38 1wgr s VAL 24 CO 0.04 0.05 0.86 -1.61 -0.31 0.00 0.00 175.10 174.13 1wgr s GLU 25 N -0.45 3.46 0.17 4.82 2.02 -1.26 -2.27 118.70 125.20 1wgr s GLU 25 Ca 0.00 0.02 0.02 0.00 0.02 0.00 0.00 54.97 55.04 1wgr s GLU 25 Cb -0.04 -3.94 -0.05 0.00 0.10 0.00 0.00 34.13 30.20 1wgr s GLU 25 CO -0.00 -1.19 -0.02 0.14 0.02 0.00 0.00 175.26 174.20 1wgr s VAL 26 N 3.56 0.81 0.14 2.63 -7.23 -0.72 -5.00 120.40 114.58 1wgr s VAL 26 Ca 0.34 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1wgr s VAL 26 Cb -0.11 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1wgr s VAL 26 CO 0.24 -0.54 -0.10 0.00 -0.31 0.00 0.00 175.10 174.39 1wgr s ALA 27 N -3.57 1.40 -0.90 1.32 0.00 -1.26 0.97 121.76 119.72 1wgr s ALA 27 Ca 0.22 -1.43 -0.24 0.00 0.00 0.00 0.00 51.96 50.50 1wgr s ALA 27 Cb 0.05 0.04 -0.22 0.00 0.00 0.00 0.00 23.12 22.99 1wgr s ALA 27 CO 0.03 -0.08 2.49 0.00 0.00 0.00 0.00 175.76 178.21 1wgr n ALA 28 N -0.04 0.59 0.00 0.00 0.00 -1.26 -1.85 120.51 117.95 1wgr n ALA 28 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1wgr n ALA 28 Cb 0.60 -2.54 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 0.83 3.48 0.00 0.00 -1.26 -5.14 105.19 109.30 1wgr n GLY 29 Ca 0.60 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.09 -2.50 4.61 0.00 -0.77 -4.99 120.51 115.76 1wgr n ALA 30 Ca 0.00 0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.26 1wgr n ALA 30 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 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 -1.54 1.54 0.58 0.00 -4.23 -1.26 -4.14 115.64 106.59 1wgr s THR 31 Ca 0.66 -1.65 0.28 0.00 -1.18 0.00 0.00 61.69 59.80 1wgr s THR 31 Cb -0.53 -2.19 0.36 0.00 1.34 0.00 0.00 72.50 71.48 1wgr s THR 31 CO 0.56 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.75 1wgr h ALA 32 N 0.95 1.83 -0.05 3.99 0.00 0.13 -0.28 119.26 125.85 1wgr h ALA 32 Ca -0.39 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1wgr h ALA 32 Cb 1.30 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1wgr h ALA 32 CO 0.63 -0.27 -0.49 -0.09 0.00 0.00 0.00 179.25 179.03 1wgr h ARG 33 N 0.00 0.41 -0.45 0.00 9.65 -1.78 -2.55 114.38 119.66 1wgr h ARG 33 Ca 0.08 -0.38 0.09 0.00 -1.10 0.00 0.00 59.98 58.68 1wgr h ARG 33 Cb 0.45 0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 29.02 1wgr h ARG 33 CO -0.00 1.03 -0.22 0.45 2.80 0.00 0.00 179.97 184.03 1wgr h HIS 34 N -0.08 -0.57 0.15 2.20 3.86 -1.36 0.61 115.15 119.96 1wgr h HIS 34 Ca -0.05 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wgr h HIS 34 Cb 1.17 0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.95 1wgr h HIS 34 CO 0.14 -0.31 -0.10 0.28 0.86 0.00 0.00 177.93 178.80 1wgr h VAL 35 N -0.13 0.77 -0.53 2.45 2.07 -1.55 0.30 116.25 119.63 1wgr h VAL 35 Ca 0.21 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.84 1wgr h VAL 35 Cb 0.47 0.77 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 1wgr h VAL 35 CO -0.53 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 176.86 1wgr h GLU 37 N -0.07 -0.36 0.22 0.00 4.39 0.67 0.31 114.58 119.74 1wgr h GLU 37 Ca 0.25 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.98 1wgr h GLU 37 Cb 0.45 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1wgr h GLU 37 CO -0.58 -0.24 -0.41 0.52 -1.16 0.00 0.00 179.01 177.15 1wgr h MET 38 N -0.37 -0.68 0.32 2.33 2.86 0.12 0.05 114.93 119.56 1wgr h MET 38 Ca -0.00 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1wgr h MET 38 Cb 0.34 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1wgr h MET 38 CO -0.02 -0.45 -0.50 -0.07 1.06 0.00 0.00 176.91 176.92 1wgr h LEU 39 N -0.71 -1.44 -1.00 1.22 3.38 0.80 -2.50 115.31 115.07 1wgr h LEU 39 Ca 0.00 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1wgr h LEU 39 Cb 0.69 0.50 -0.13 0.00 0.09 0.00 0.00 40.66 41.82 1wgr h LEU 39 CO -0.18 -0.61 -0.56 0.58 0.09 0.00 0.00 178.44 177.76 1wgr h VAL 40 N -0.88 0.00 -2.46 1.22 2.07 -0.18 -3.45 116.25 112.58 1wgr h VAL 40 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.64 1wgr h VAL 40 Cb 0.81 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 1wgr h VAL 40 CO -0.16 0.00 0.44 -1.10 0.02 0.00 0.00 177.57 176.76 1wgr s GLN 41 N -5.57 1.28 -0.35 1.57 -0.21 -0.01 -5.03 119.66 111.34 1wgr s GLN 41 Ca -0.12 -0.69 0.15 0.00 0.02 0.00 0.00 55.36 54.71 1wgr s GLN 41 Cb 0.12 0.44 0.42 0.00 1.00 0.00 0.00 33.01 35.00 1wgr s GLN 41 CO 0.63 -0.58 0.99 -2.13 -2.12 0.00 0.00 175.29 172.08 1wgr n ARG 42 N -0.45 1.11 0.24 2.91 3.00 -1.26 -3.77 116.66 118.44 1wgr n ARG 42 Ca -0.06 -2.95 0.00 0.00 -0.00 0.00 0.00 57.85 54.84 1wgr n ARG 42 Cb 0.61 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.95 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 -0.06 0.00 -0.04 5.13 0.00 -1.26 -5.03 120.51 119.25 1wgr n ALA 43 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1wgr n ALA 43 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.22 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 -3.47 0.00 -3.43 0.00 8.25 -1.26 -5.09 115.22 110.21 1wgr n HIS 44 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1wgr n HIS 44 Cb 0.00 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 30.87 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 -3.44 -0.95 -3.05 -1.41 0.00 -1.26 -4.94 120.51 105.46 1wgr n ALA 45 Ca -0.06 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 1wgr n ALA 45 Cb 0.24 -0.32 0.05 0.00 0.00 0.00 0.00 19.45 19.42 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 -5.64 -3.81 0.00 4.32 -1.26 -5.01 117.00 105.59 1wgr n LEU 46 Ca 0.00 -0.49 0.02 0.00 -0.02 0.00 0.00 56.01 55.53 1wgr n LEU 46 Cb 0.15 -3.02 0.01 0.00 -1.62 0.00 0.00 43.42 38.93 1wgr n LEU 46 CO 0.00 -0.22 1.09 -0.55 -1.22 0.00 0.00 177.39 176.49 1wgr s SER 47 N -3.23 -0.02 0.26 -1.43 0.15 -1.26 -5.16 113.70 103.01 1wgr s SER 47 Ca 0.30 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1wgr s SER 47 Cb -0.04 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1wgr s SER 47 CO 0.68 -0.28 0.00 0.47 1.20 0.00 0.00 173.24 175.31 1wgr n ASP 48 N -0.81 -5.59 -4.31 5.45 8.00 -1.26 -4.69 116.55 113.34 1wgr n ASP 48 Ca -0.02 0.50 -0.39 0.00 0.71 0.00 0.00 54.79 55.59 1wgr n ASP 48 Cb 0.61 -3.26 0.02 0.00 -0.02 0.00 0.00 41.12 38.47 1wgr n ASP 48 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1wgr n GLU 49 N -3.17 0.14 -0.09 -1.24 4.07 -1.26 -4.85 120.64 114.25 1wgr n GLU 49 Ca -0.01 0.05 -0.06 0.00 -0.06 0.00 0.00 57.16 57.08 1wgr n GLU 49 Cb 0.61 -1.19 0.12 0.00 -0.06 0.00 0.00 31.44 30.93 1wgr n GLU 49 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1wgr h THR 50 N 0.07 1.26 -2.19 6.31 2.02 -2.02 -3.49 112.91 114.87 1wgr h THR 50 Ca -0.42 -1.22 0.24 0.00 0.77 0.00 0.00 66.41 65.78 1wgr h THR 50 Cb 1.44 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 68.90 1wgr h THR 50 CO 0.43 0.41 -0.31 0.79 0.37 0.00 0.00 175.52 177.21 1wgr n TRP 51 N -4.15 -2.94 -3.47 3.16 7.02 -1.26 -4.90 117.44 110.91 1wgr n TRP 51 Ca 0.01 1.08 0.00 0.00 -1.02 0.00 0.00 57.50 57.57 1wgr n TRP 51 Cb 0.39 -1.96 0.00 0.00 -2.42 0.00 0.00 31.31 27.31 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 -2.77 0.92 3.45 6.99 0.00 -1.25 -5.04 105.19 107.49 1wgr n GLY 52 Ca 0.01 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 2.55 -0.15 0.99 1.43 -1.26 -4.01 118.68 118.23 1wgr s LEU 53 Ca 0.00 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1wgr s LEU 53 Cb 0.00 -1.39 0.07 0.00 0.03 0.00 0.00 46.19 44.90 1wgr s LEU 53 CO 0.00 0.17 0.16 -0.69 0.23 0.00 0.00 176.35 176.21 1wgr s VAL 54 N -1.22 -0.22 -0.11 -1.59 1.01 0.63 -2.50 120.40 116.40 1wgr s VAL 54 Ca 0.17 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1wgr s VAL 54 Cb -0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1wgr s VAL 54 CO 0.09 -0.10 1.29 -1.83 0.00 0.00 0.00 175.10 174.55 1wgr s GLU 55 N 2.25 4.26 -0.08 2.72 -1.05 0.21 0.17 118.70 127.19 1wgr s GLU 55 Ca 0.04 1.74 -0.04 0.00 -0.15 0.00 0.00 54.97 56.56 1wgr s GLU 55 Cb -0.15 -3.72 -0.04 0.00 -0.44 0.00 0.00 34.13 29.79 1wgr s GLU 55 CO -0.09 -0.64 0.11 0.00 0.95 0.00 0.00 175.26 175.59 1wgr s HIS 57 N -1.07 3.46 -0.58 0.00 3.76 -0.81 -0.89 115.29 119.16 1wgr s HIS 57 Ca 0.18 -2.64 -0.06 0.00 -0.15 0.00 0.00 55.06 52.39 1wgr s HIS 57 Cb -0.12 -3.18 -0.14 0.00 1.11 0.00 0.00 32.58 30.25 1wgr s HIS 57 CO 0.08 -0.88 2.68 -0.35 -0.85 0.00 0.00 174.74 175.41 1wgr n PRO 58 N 3.87 2.12 0.00 8.40 -0.04 -1.26 -0.94 135.00 147.14 1wgr n PRO 58 Ca 0.04 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 1wgr n PRO 58 Cb 0.39 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 3.25 -0.41 0.89 0.54 1.44 -1.26 -4.76 115.22 114.91 1wgr n HIS 59 Ca 0.45 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.27 1wgr n HIS 59 Cb 0.44 0.08 0.06 0.00 0.12 0.00 0.00 29.99 30.69 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 -1.46 2.48 -3.84 2.39 4.77 -1.08 -4.97 117.00 115.29 1wgr n LEU 60 Ca 0.00 -0.92 -0.25 0.00 -0.03 0.00 0.00 56.01 54.81 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 -0.05 0.00 -1.33 0.00 0.00 177.39 176.45 1wgr n ALA 61 N 0.78 -1.77 -2.66 -1.18 0.00 -0.11 -4.97 120.51 110.60 1wgr n ALA 61 Ca 0.11 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 1wgr n ALA 61 Cb 0.50 -2.66 -0.07 0.00 0.00 0.00 0.00 19.45 17.21 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 -6.94 3.28 -0.22 0.00 2.96 -1.22 -4.98 118.68 111.58 1wgr s LEU 62 Ca 0.23 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1wgr s LEU 62 Cb -0.12 -1.80 0.09 0.00 0.50 0.00 0.00 46.19 44.86 1wgr s LEU 62 CO 0.84 -0.02 0.17 -1.61 -1.32 0.00 0.00 176.35 174.41 1wgr s GLU 63 N -3.71 0.16 -0.04 1.98 8.01 -1.26 -1.93 118.70 121.91 1wgr s GLU 63 Ca 0.32 -0.06 0.06 0.00 0.01 0.00 0.00 54.97 55.30 1wgr s GLU 63 Cb -0.06 -1.36 -0.02 0.00 -4.31 0.00 0.00 34.13 28.38 1wgr s GLU 63 CO 0.21 -0.76 -0.20 0.50 0.01 0.00 0.00 175.26 175.02 1wgr s ARG 64 N 2.23 2.34 -0.09 1.61 3.52 -0.73 -4.99 118.95 122.84 1wgr s ARG 64 Ca 0.06 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 1wgr s ARG 64 Cb -0.16 -2.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 1wgr s ARG 64 CO -0.17 0.58 -0.04 0.20 -0.81 0.00 0.00 175.30 175.05 1wgr s GLY 65 N -0.63 1.75 0.15 8.12 0.00 -1.26 0.64 107.32 116.09 1wgr s GLY 65 Ca 0.10 -0.85 0.08 0.00 0.00 0.00 0.00 44.72 44.05 1wgr s GLY 65 CO 0.00 -0.52 -0.08 0.48 0.00 0.00 0.00 173.10 172.98 1wgr s LEU 66 N -0.62 3.06 0.00 0.66 2.34 -1.04 -4.97 118.68 118.11 1wgr s LEU 66 Ca 0.10 -0.47 -0.09 0.00 0.06 0.00 0.00 54.13 53.72 1wgr s LEU 66 Cb -0.12 -1.78 0.13 0.00 -0.56 0.00 0.00 46.19 43.87 1wgr s LEU 66 CO 0.02 0.13 0.62 -0.62 -1.06 0.00 0.00 176.35 175.44 1wgr n GLU 67 N 0.26 -1.29 0.04 1.48 1.02 -1.26 -4.16 120.64 116.73 1wgr n GLU 67 Ca -0.12 -0.97 -0.11 0.00 -0.02 0.00 0.00 57.16 55.94 1wgr n GLU 67 Cb 0.54 -0.75 -0.08 0.00 -0.02 0.00 0.00 31.44 31.13 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 -1.32 -0.15 -1.02 1.62 2.03 -1.96 -3.16 116.42 112.45 1wgr h ASP 68 Ca -0.21 -0.39 0.26 0.00 -0.73 0.00 0.00 57.03 55.96 1wgr h ASP 68 Cb 0.62 0.04 -0.08 0.00 -0.83 0.00 0.00 39.33 39.08 1wgr h ASP 68 CO 0.15 0.42 0.68 1.12 -1.03 0.00 0.00 179.24 180.58 1wgr h HIS 69 N -0.85 0.49 -2.20 4.15 2.07 -1.97 -2.66 115.15 114.18 1wgr h HIS 69 Ca -0.02 0.02 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 1wgr h HIS 69 Cb 0.54 -0.14 0.04 0.00 2.57 0.00 0.00 27.41 30.42 1wgr h HIS 69 CO 0.10 0.06 0.93 0.39 -3.07 0.00 0.00 177.93 176.34 1wgr n GLU 70 N -4.51 2.21 -2.91 5.12 -0.58 -1.19 -4.72 120.64 114.06 1wgr n GLU 70 Ca 0.24 0.80 -0.41 0.00 -0.42 0.00 0.00 57.16 57.37 1wgr n GLU 70 Cb 0.90 -2.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.12 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 2.24 7.18 0.26 1.62 0.01 -1.26 0.22 113.70 123.96 1wgr s SER 71 Ca 0.84 1.42 -0.04 0.00 1.31 0.00 0.00 55.95 59.49 1wgr s SER 71 Cb -0.67 -2.48 0.31 0.00 0.21 0.00 0.00 66.02 63.39 1wgr s SER 71 CO 0.43 -0.13 1.83 -0.37 0.41 0.00 0.00 173.24 175.40 1wgr h VAL 72 N 4.61 1.24 0.46 3.43 -1.51 -1.83 0.22 116.25 122.86 1wgr h VAL 72 Ca -0.42 -0.76 -0.02 0.00 -1.23 0.00 0.00 66.70 64.27 1wgr h VAL 72 Cb 1.21 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1wgr h VAL 72 CO 0.74 0.30 -0.22 0.58 -1.23 0.00 0.00 177.57 177.75 1wgr h VAL 73 N 0.99 0.33 -0.90 7.19 2.07 -1.92 1.46 116.25 125.46 1wgr h VAL 73 Ca 0.23 -0.54 0.18 0.00 0.82 0.00 0.00 66.70 67.38 1wgr h VAL 73 Cb 0.21 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 1wgr h VAL 73 CO -0.02 0.06 0.59 -0.33 0.02 0.00 0.00 177.57 177.89 1wgr h GLU 74 N -1.02 0.54 0.04 1.57 4.39 -1.91 1.64 114.58 119.83 1wgr h GLU 74 Ca -0.06 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.36 1wgr h GLU 74 Cb 0.57 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1wgr h GLU 74 CO 0.10 0.36 -1.17 0.28 -1.16 0.00 0.00 179.01 177.42 1wgr h VAL 75 N 0.56 1.54 -0.09 3.13 2.07 -0.48 -2.83 116.25 120.14 1wgr h VAL 75 Ca 0.47 -3.22 -0.18 0.00 0.82 0.00 0.00 66.70 64.59 1wgr h VAL 75 Cb 0.96 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 1wgr h VAL 75 CO -0.21 0.90 -0.69 -0.61 0.02 0.00 0.00 177.57 176.97 1wgr h GLN 76 N 0.02 0.41 0.00 1.57 4.15 0.57 -2.81 115.11 119.03 1wgr h GLN 76 Ca -0.09 -0.32 -0.09 0.00 0.77 0.00 0.00 58.65 58.92 1wgr h GLN 76 Cb 1.86 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.60 1wgr h GLN 76 CO 0.14 0.95 -0.44 0.00 -1.93 0.00 0.00 178.83 177.56 1wgr h ALA 77 N 0.96 0.98 -0.31 3.38 0.00 0.21 -2.82 119.26 121.67 1wgr h ALA 77 Ca -0.02 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1wgr h ALA 77 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1wgr h ALA 77 CO 0.12 0.55 -0.32 0.00 0.00 0.00 0.00 179.25 179.60 1wgr h ALA 78 N 1.56 0.85 -1.82 0.00 0.00 -1.29 -3.44 119.26 115.13 1wgr h ALA 78 Ca -0.00 -0.41 -0.62 0.00 0.00 0.00 0.00 54.91 53.88 1wgr h ALA 78 Cb 0.96 -0.13 0.12 0.00 0.00 0.00 0.00 17.79 18.74 1wgr h ALA 78 CO 0.06 0.63 -0.06 0.91 0.00 0.00 0.00 179.25 180.80 1wgr n TRP 79 N -4.07 0.73 -1.55 0.00 8.01 -1.07 -4.93 117.44 114.56 1wgr n TRP 79 Ca -0.01 0.74 -0.29 0.00 -1.31 0.00 0.00 57.50 56.62 1wgr n TRP 79 Cb 0.48 -2.16 0.11 0.00 -2.01 0.00 0.00 31.31 27.72 1wgr n TRP 79 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1wgr s PRO 80 N -1.48 1.69 -0.02 -0.99 0.04 -1.26 -5.00 135.00 127.97 1wgr s PRO 80 Ca 0.60 0.49 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 1wgr s PRO 80 Cb -0.72 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 31.78 1wgr s PRO 80 CO 0.59 -1.86 0.99 0.28 0.04 0.00 0.00 177.00 177.03 1wgr h VAL 81 N -1.26 0.60 0.00 -0.36 2.07 -1.96 -3.30 116.25 112.04 1wgr h VAL 81 Ca -0.48 -0.79 -0.39 0.00 0.82 0.00 0.00 66.70 65.85 1wgr h VAL 81 Cb 1.30 0.95 0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1wgr h VAL 81 CO 0.60 0.13 2.68 0.61 0.02 0.00 0.00 177.57 181.61 1wgr n GLY 82 N 0.14 3.17 3.18 2.17 0.00 -1.26 -4.54 105.19 108.05 1wgr n GLY 82 Ca -0.09 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.10 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 3.35 -0.06 -0.97 -0.02 0.00 -1.25 -5.04 107.32 103.34 1wgr s GLY 83 Ca 0.41 3.18 -0.07 0.00 0.00 0.00 0.00 44.72 48.24 1wgr s GLY 83 CO -0.03 3.69 2.99 1.22 0.00 0.00 0.00 173.10 180.97 1wgr n ASP 84 N 5.17 7.37 -4.76 1.64 8.00 -1.26 -4.72 116.55 127.99 1wgr n ASP 84 Ca -0.08 -2.76 -0.41 0.00 0.71 0.00 0.00 54.79 52.25 1wgr n ASP 84 Cb 0.54 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.19 1wgr n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1wgr s SER 85 N 1.48 6.60 0.25 -2.24 0.01 -1.26 -4.27 113.70 114.27 1wgr s SER 85 Ca 0.64 2.79 0.02 0.00 1.31 0.00 0.00 55.95 60.71 1wgr s SER 85 Cb 0.25 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 1wgr s SER 85 CO -0.08 -0.70 0.08 -2.11 0.41 0.00 0.00 173.24 170.85 1wgr n ARG 86 N 1.27 0.79 -4.01 12.44 1.85 -0.06 -4.96 116.66 123.97 1wgr n ARG 86 Ca 0.03 -2.05 -0.33 0.00 -1.00 0.00 0.00 57.85 54.49 1wgr n ARG 86 Cb 0.40 1.05 -0.15 0.00 -1.05 0.00 0.00 32.46 32.72 1wgr n ARG 86 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1wgr s PHE 87 N -2.41 3.18 -0.16 2.89 0.08 -1.26 -0.62 117.98 119.68 1wgr s PHE 87 Ca 0.11 -2.01 -0.08 0.00 0.12 0.00 0.00 56.93 55.07 1wgr s PHE 87 Cb 0.01 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 1wgr s PHE 87 CO 0.08 -0.83 0.13 0.08 -0.10 0.00 0.00 175.22 174.58 1wgr s VAL 88 N 1.20 5.42 -0.26 -0.44 1.01 0.46 -1.26 120.40 126.52 1wgr s VAL 88 Ca -0.05 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1wgr s VAL 88 Cb -0.19 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1wgr s VAL 88 CO -0.05 0.52 0.31 0.12 0.00 0.00 0.00 175.10 176.00 1wgr s PHE 89 N -0.28 3.26 -0.06 5.22 5.36 -1.12 -0.26 117.98 130.10 1wgr s PHE 89 Ca 0.11 0.34 -0.13 0.00 -0.96 0.00 0.00 56.93 56.29 1wgr s PHE 89 Cb -0.11 -2.49 0.03 0.00 -0.34 0.00 0.00 43.02 40.10 1wgr s PHE 89 CO 0.01 -0.16 0.31 -0.98 -1.46 0.00 0.00 175.22 172.94 1wgr s ARG 90 N 1.81 0.55 0.52 10.12 1.70 -1.26 -4.50 118.95 127.89 1wgr s ARG 90 Ca 0.13 0.05 0.09 0.00 -0.47 0.00 0.00 55.73 55.52 1wgr s ARG 90 Cb -0.15 0.25 0.06 0.00 -0.57 0.00 0.00 34.95 34.53 1wgr s ARG 90 CO 0.09 -0.13 0.70 -1.59 -1.08 0.00 0.00 175.30 173.30 1wgr s LYS 91 N -0.75 2.46 -0.10 3.89 -2.85 -1.26 -3.91 119.74 117.23 1wgr s LYS 91 Ca -0.08 -1.54 -0.01 0.00 -1.00 0.00 0.00 55.97 53.33 1wgr s LYS 91 Cb -0.04 -2.65 0.01 0.00 -2.06 0.00 0.00 37.83 33.09 1wgr s LYS 91 CO 0.03 -0.66 0.03 0.09 0.10 0.00 0.00 175.35 174.94 1wgr n ASN 92 N -2.09 -0.98 -4.86 0.03 4.13 -1.26 -4.83 115.26 105.40 1wgr n ASN 92 Ca 0.12 0.38 -0.30 0.00 1.68 0.00 0.00 54.58 56.46 1wgr n ASN 92 Cb 0.61 -0.97 0.05 0.00 -1.54 0.00 0.00 39.78 37.93 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 -1.94 3.24 0.00 3.10 -0.12 -1.26 -4.36 117.98 116.64 1wgr s PHE 93 Ca 0.04 1.15 0.00 0.00 -0.05 0.00 0.00 56.93 58.08 1wgr s PHE 93 Cb -0.02 -3.00 0.00 0.00 -0.63 0.00 0.00 43.02 39.36 1wgr s PHE 93 CO 0.05 -1.24 0.00 0.00 -0.05 0.00 0.00 175.22 173.98 1wgr n ALA 94 N -3.07 0.00 0.08 1.99 0.00 -1.26 -3.80 120.51 114.45 1wgr n ALA 94 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wgr n ALA 94 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 3.32 -1.49 -3.63 0.00 2.88 -1.26 -5.16 113.62 108.28 1wgr n SER 95 Ca 0.00 0.41 -0.04 0.00 -1.33 0.00 0.00 58.87 57.92 1wgr n SER 95 Cb 0.00 1.62 -0.04 0.00 -0.75 0.00 0.00 64.21 65.04 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 -2.00 -0.01 -0.61 0.46 0.00 -1.25 -5.00 107.32 98.92 1wgr s GLY 96 Ca 0.00 2.58 -0.27 0.00 0.00 0.00 0.00 44.72 47.03 1wgr s GLY 96 CO 0.00 1.05 1.53 2.56 0.00 0.00 0.00 173.10 178.23 1wgr s PRO 97 N -1.14 3.08 -0.23 2.90 0.04 -1.26 -4.92 135.00 133.46 1wgr s PRO 97 Ca 0.07 0.37 -0.06 0.00 0.04 0.00 0.00 61.00 61.43 1wgr s PRO 97 Cb -0.01 -4.22 0.12 0.00 0.04 0.00 0.00 34.50 30.43 1wgr s PRO 97 CO -0.06 -2.21 0.46 0.45 0.04 0.00 0.00 177.00 175.68 1wgr s SER 98 N 5.37 -0.36 0.03 6.66 0.15 -1.26 -5.12 113.70 119.18 1wgr s SER 98 Ca 0.54 0.86 -0.38 0.00 0.70 0.00 0.00 55.95 57.66 1wgr s SER 98 Cb -0.11 1.50 -0.19 0.00 -1.71 0.00 0.00 66.02 65.51 1wgr s SER 98 CO 0.22 -0.25 1.10 -1.20 1.20 0.00 0.00 173.24 174.30 1wgr n SER 99 N 5.40 0.30 0.00 5.45 7.64 -1.26 -5.21 113.62 125.93 1wgr n SER 99 Ca -0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1wgr n SER 99 Cb 0.50 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1wgr n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64