#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfo n SER 2 N 0.00 -1.72 -1.45 1.61 7.64 -1.26 -5.17 113.62 113.27 1wfo n SER 2 Ca 0.00 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1wfo n SER 2 Cb 0.00 1.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.95 1wfo n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfo n SER 3 N -3.45 -7.82 0.00 6.43 2.88 -1.26 -5.06 113.62 105.35 1wfo n SER 3 Ca 0.00 1.54 0.00 0.00 -1.33 0.00 0.00 58.87 59.08 1wfo n SER 3 Cb 0.00 -4.50 0.00 0.00 -0.75 0.00 0.00 64.21 58.96 1wfo n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfo n GLY 4 N -2.01 0.46 3.03 0.46 0.00 -1.26 -5.09 105.19 100.78 1wfo n GLY 4 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 1wfo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfo n SER 5 N 0.00 -7.50 -3.58 1.61 7.64 -1.26 -5.04 113.62 105.48 1wfo n SER 5 Ca 0.00 0.21 -0.14 0.00 1.01 0.00 0.00 58.87 59.94 1wfo n SER 5 Cb 0.00 -4.80 -0.06 0.00 -1.01 0.00 0.00 64.21 58.33 1wfo n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfo s SER 6 N -2.63 -0.62 0.00 6.43 0.15 -1.26 -5.13 113.70 110.64 1wfo s SER 6 Ca 0.18 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1wfo s SER 6 Cb -0.04 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 1wfo s SER 6 CO 0.78 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.45 1wfo n GLY 7 N 1.67 -0.03 3.65 9.45 0.00 -1.26 -5.15 105.19 113.51 1wfo n GLY 7 Ca -0.15 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.75 1wfo n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wfo s ARG 8 N -2.97 0.11 0.38 1.61 1.04 -1.26 -5.18 118.95 112.68 1wfo s ARG 8 Ca 0.00 0.12 0.03 0.00 -1.04 0.00 0.00 55.73 54.84 1wfo s ARG 8 Cb 0.00 0.05 0.03 0.00 -2.04 0.00 0.00 34.95 33.00 1wfo s ARG 8 CO 0.00 -0.01 0.27 0.44 -0.04 0.00 0.00 175.30 175.96 1wfo n ILE 9 N 1.57 0.00 -0.70 4.99 -5.35 -1.26 -5.10 119.36 113.51 1wfo n ILE 9 Ca -0.10 -1.54 -0.32 0.00 -0.27 0.00 0.00 62.75 60.52 1wfo n ILE 9 Cb 0.57 -0.14 0.16 0.00 -1.74 0.00 0.00 39.64 38.49 1wfo n ILE 9 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wfo n GLY 10 N 0.36 -1.90 3.51 3.28 0.00 -1.26 -5.04 105.19 104.15 1wfo n GLY 10 Ca -0.02 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 1wfo n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wfo s ASP 11 N -2.11 -0.59 -0.27 1.61 2.15 -1.26 -5.17 116.67 111.03 1wfo s ASP 11 Ca 0.60 0.53 -0.24 0.00 0.43 0.00 0.00 52.55 53.87 1wfo s ASP 11 Cb -0.19 0.50 0.07 0.00 -0.30 0.00 0.00 42.92 43.00 1wfo s ASP 11 CO 0.65 -0.62 0.71 -0.83 -0.17 0.00 0.00 175.17 174.92 1wfo s GLY 12 N -1.45 -0.55 -0.31 2.66 0.00 -1.26 -5.13 107.32 101.28 1wfo s GLY 12 Ca -0.07 2.06 -0.10 0.00 0.00 0.00 0.00 44.72 46.61 1wfo s GLY 12 CO 0.05 1.81 1.02 -0.45 0.00 0.00 0.00 173.10 175.53 1wfo s SER 13 N 0.52 -0.45 -0.80 1.64 0.15 -1.26 -5.10 113.70 108.41 1wfo s SER 13 Ca -0.01 -0.05 -0.25 0.00 0.70 0.00 0.00 55.95 56.34 1wfo s SER 13 Cb -0.05 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1wfo s SER 13 CO -0.01 -0.07 1.62 -2.16 1.20 0.00 0.00 173.24 173.82 1wfo s PRO 14 N 2.58 2.98 -0.30 5.44 0.04 -1.26 -4.86 135.00 139.63 1wfo s PRO 14 Ca 0.23 -0.20 -0.23 0.00 0.04 0.00 0.00 61.00 60.83 1wfo s PRO 14 Cb -0.00 -4.67 0.18 0.00 0.04 0.00 0.00 34.50 30.05 1wfo s PRO 14 CO -0.20 -2.58 1.36 -1.54 0.04 0.00 0.00 177.00 174.08 1wfo s SER 15 N 6.13 -0.11 0.01 6.66 1.04 -1.26 -5.19 113.70 120.99 1wfo s SER 15 Ca 0.54 0.21 -0.28 0.00 0.48 0.00 0.00 55.95 56.89 1wfo s SER 15 Cb -0.07 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.47 1wfo s SER 15 CO 0.08 -0.04 0.67 -1.38 0.98 0.00 0.00 173.24 173.56 1wfo s HIS 16 N 0.23 -0.60 0.89 5.02 -3.43 -1.26 -5.18 115.29 110.96 1wfo s HIS 16 Ca 0.04 0.83 -0.12 0.00 -0.80 0.00 0.00 55.06 55.02 1wfo s HIS 16 Cb -0.05 0.46 0.12 0.00 -1.43 0.00 0.00 32.58 31.69 1wfo s HIS 16 CO -0.14 -0.68 1.13 -1.25 -2.00 0.00 0.00 174.74 171.81 1wfo s PRO 17 N -2.05 1.33 0.24 -0.38 0.04 -1.26 -5.01 135.00 127.90 1wfo s PRO 17 Ca -0.06 0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.04 1wfo s PRO 17 Cb -0.00 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 1wfo s PRO 17 CO 0.02 -2.08 1.10 -1.25 0.04 0.00 0.00 177.00 174.82 1wfo s PRO 18 N -5.25 4.63 0.25 0.56 0.04 -1.26 -4.97 135.00 129.00 1wfo s PRO 18 Ca 0.63 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 63.12 1wfo s PRO 18 Cb -0.15 -3.23 -0.13 0.00 0.04 0.00 0.00 34.50 31.04 1wfo s PRO 18 CO 0.53 0.17 1.51 -0.89 0.04 0.00 0.00 177.00 178.36 1wfo n ILE 19 N 1.70 0.84 -2.78 0.56 5.41 -1.26 -4.93 119.36 118.89 1wfo n ILE 19 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1wfo n ILE 19 Cb 0.45 -1.68 0.01 0.00 -0.71 0.00 0.00 39.64 37.71 1wfo n ILE 19 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1wfo s LEU 20 N 0.03 -0.47 -0.17 1.39 0.20 -1.26 -5.12 118.68 113.28 1wfo s LEU 20 Ca 0.68 -0.33 -0.29 0.00 0.69 0.00 0.00 54.13 54.88 1wfo s LEU 20 Cb -0.59 0.61 -0.06 0.00 -0.43 0.00 0.00 46.19 45.73 1wfo s LEU 20 CO 0.47 -0.04 2.12 -1.83 -0.29 0.00 0.00 176.35 176.78 1wfo s GLU 21 N 1.66 3.38 -0.40 1.98 -1.05 -1.26 -4.86 118.70 118.15 1wfo s GLU 21 Ca 0.18 2.10 0.01 0.00 -0.15 0.00 0.00 54.97 57.11 1wfo s GLU 21 Cb 0.05 -4.30 0.19 0.00 -0.44 0.00 0.00 34.13 29.62 1wfo s GLU 21 CO -0.13 -1.82 0.83 1.03 0.95 0.00 0.00 175.26 176.13 1wfo s ARG 22 N 5.84 0.62 0.12 -4.83 0.52 -1.26 -5.04 118.95 114.92 1wfo s ARG 22 Ca 0.96 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 55.48 1wfo s ARG 22 Cb -0.34 0.03 -0.08 0.00 0.52 0.00 0.00 34.95 35.08 1wfo s ARG 22 CO 0.36 -0.84 1.60 1.79 0.02 0.00 0.00 175.30 178.23 1wfo h THR 23 N 4.22 0.20 -3.61 0.02 1.35 -1.98 -3.44 112.91 109.67 1wfo h THR 23 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1wfo h THR 23 Cb 1.18 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1wfo h THR 23 CO 0.00 0.00 -0.91 0.18 -0.25 0.00 0.00 175.52 174.54 1wfo n LEU 24 N -5.45 -1.93 -3.96 3.87 7.99 -1.26 -3.97 117.00 112.29 1wfo n LEU 24 Ca -0.06 2.88 -0.30 0.00 -0.01 0.00 0.00 56.01 58.51 1wfo n LEU 24 Cb 0.36 -2.93 -0.14 0.00 -0.11 0.00 0.00 43.42 40.60 1wfo n LEU 24 CO 0.18 -0.12 -0.18 -1.81 -1.51 0.00 0.00 177.39 173.95 1wfo s ASP 25 N -4.27 4.38 0.00 -1.43 1.11 -1.26 -4.64 116.67 110.55 1wfo s ASP 25 Ca 0.00 -2.97 0.00 0.00 0.18 0.00 0.00 52.55 49.76 1wfo s ASP 25 Cb 0.00 -1.65 0.00 0.00 1.07 0.00 0.00 42.92 42.34 1wfo s ASP 25 CO 0.00 -0.24 0.00 -0.90 1.18 0.00 0.00 175.17 175.21 1wfo n ASP 26 N 3.18 0.00 -4.76 0.27 5.68 -1.25 -5.11 116.55 114.57 1wfo n ASP 26 Ca 0.05 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 54.03 1wfo n ASP 26 Cb 0.33 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.41 1wfo n ASP 26 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1wfo s VAL 27 N -2.00 3.20 1.08 2.12 -7.23 -1.26 -4.21 120.40 112.10 1wfo s VAL 27 Ca 0.00 0.39 -0.17 0.00 -1.81 0.00 0.00 61.98 60.39 1wfo s VAL 27 Cb 0.00 -2.84 0.24 0.00 0.56 0.00 0.00 36.38 34.34 1wfo s VAL 27 CO 0.00 -0.51 1.22 -2.16 -0.31 0.00 0.00 175.10 173.34 1wfo s PRO 28 N -4.89 -0.25 0.00 4.82 0.04 -1.21 -4.82 135.00 128.69 1wfo s PRO 28 Ca 0.62 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1wfo s PRO 28 Cb -0.18 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1wfo s PRO 28 CO 0.56 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.97 1wfo n GLY 29 N -2.37 1.38 3.73 0.56 0.00 -1.22 -2.39 105.19 104.87 1wfo n GLY 29 Ca 0.14 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1wfo n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfo s PRO 30 N -1.30 4.52 -0.42 1.61 0.04 -1.26 -4.04 135.00 134.14 1wfo s PRO 30 Ca 0.00 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 1wfo s PRO 30 Cb 0.00 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1wfo s PRO 30 CO 0.00 -0.08 1.42 -1.25 0.04 0.00 0.00 177.00 177.13 1wfo s PRO 31 N 0.30 3.54 0.52 0.56 0.04 -1.26 -4.72 135.00 133.97 1wfo s PRO 31 Ca 0.53 0.90 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 1wfo s PRO 31 Cb -0.29 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1wfo s PRO 31 CO 0.32 -1.61 0.79 0.00 0.04 0.00 0.00 177.00 176.54 1wfo s MET 32 N 5.01 3.03 0.00 4.56 0.23 -1.26 -4.54 119.30 126.33 1wfo s MET 32 Ca 0.61 -0.21 0.00 0.00 -1.03 0.00 0.00 55.69 55.06 1wfo s MET 32 Cb -0.13 -2.41 0.00 0.00 -1.53 0.00 0.00 34.83 30.76 1wfo s MET 32 CO 0.32 -0.47 0.00 0.41 -2.03 0.00 0.00 175.02 173.25 1wfo n GLY 33 N -2.34 0.47 3.47 3.16 0.00 -1.26 -2.67 105.19 106.02 1wfo n GLY 33 Ca 0.03 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1wfo n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfo s ILE 34 N -2.36 5.10 0.07 -0.61 -1.09 -1.26 -3.71 121.20 117.34 1wfo s ILE 34 Ca 0.00 -0.44 0.05 0.00 -2.23 0.00 0.00 60.65 58.03 1wfo s ILE 34 Cb 0.00 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 1wfo s ILE 34 CO 0.00 -0.45 -0.15 -0.76 -1.23 0.00 0.00 174.94 172.35 1wfo s LEU 35 N 2.09 2.26 -0.57 2.97 1.43 -0.80 -5.01 118.68 121.06 1wfo s LEU 35 Ca 0.11 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1wfo s LEU 35 Cb -0.18 -0.57 0.15 0.00 0.03 0.00 0.00 46.19 45.62 1wfo s LEU 35 CO 0.13 -0.04 0.37 -0.36 0.23 0.00 0.00 176.35 176.67 1wfo s PHE 36 N -1.18 3.41 -0.08 0.29 0.08 -1.26 -1.19 117.98 118.04 1wfo s PHE 36 Ca -0.00 -2.75 -0.26 0.00 0.12 0.00 0.00 56.93 54.04 1wfo s PHE 36 Cb -0.10 -3.14 -0.21 0.00 -0.57 0.00 0.00 43.02 39.00 1wfo s PHE 36 CO 0.02 -0.85 0.95 -1.00 -0.10 0.00 0.00 175.22 174.25 1wfo h PRO 37 N 7.10 -0.03 -4.88 0.24 0.13 -1.94 -3.43 132.00 129.19 1wfo h PRO 37 Ca -0.04 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.42 1wfo h PRO 37 Cb 0.96 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 31.79 1wfo h PRO 37 CO 0.70 0.65 -0.72 -2.00 -0.23 0.00 0.00 178.00 176.40 1wfo s GLU 38 N -3.16 2.85 -0.17 0.86 2.12 -1.12 -5.06 118.70 115.02 1wfo s GLU 38 Ca -0.16 -0.98 -0.05 0.00 0.36 0.00 0.00 54.97 54.14 1wfo s GLU 38 Cb -0.01 -3.07 0.06 0.00 0.26 0.00 0.00 34.13 31.38 1wfo s GLU 38 CO 0.63 -0.42 0.11 0.08 -0.54 0.00 0.00 175.26 175.11 1wfo s VAL 39 N 1.35 -0.13 0.00 3.70 1.01 -1.26 0.18 120.40 125.25 1wfo s VAL 39 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1wfo s VAL 39 Cb -0.17 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1wfo s VAL 39 CO -0.03 -0.24 0.00 0.54 0.00 0.00 0.00 175.10 175.37 1wfo n ARG 40 N 5.29 2.39 0.00 2.72 1.74 0.60 -4.64 116.66 124.76 1wfo n ARG 40 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1wfo n ARG 40 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1wfo n ARG 40 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfo n THR 41 N -0.32 0.00 -0.09 0.55 -2.24 -1.26 -3.12 114.28 107.80 1wfo n THR 41 Ca 0.00 0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 62.13 1wfo n THR 41 Cb 0.00 -0.94 0.16 0.00 -2.10 0.00 0.00 70.33 67.45 1wfo n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfo n THR 42 N -0.21 1.81 -3.65 4.28 -2.24 -1.24 -4.27 114.28 108.77 1wfo n THR 42 Ca 0.00 -0.87 -0.08 0.00 -2.27 0.00 0.00 64.05 60.83 1wfo n THR 42 Cb 0.00 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 67.61 1wfo n THR 42 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfo s SER 43 N -0.32 -0.88 0.27 3.42 1.04 -1.26 0.10 113.70 116.07 1wfo s SER 43 Ca 0.30 1.44 0.02 0.00 0.48 0.00 0.00 55.95 58.19 1wfo s SER 43 Cb 0.24 1.33 -0.03 0.00 0.10 0.00 0.00 66.02 67.66 1wfo s SER 43 CO 0.07 -0.24 0.23 0.68 0.98 0.00 0.00 173.24 174.97 1wfo s VAL 44 N 1.49 0.00 -0.30 5.02 -7.23 0.27 0.22 120.40 119.87 1wfo s VAL 44 Ca -0.09 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1wfo s VAL 44 Cb -0.05 -2.50 0.19 0.00 0.56 0.00 0.00 36.38 34.58 1wfo s VAL 44 CO -0.17 0.00 0.66 -0.60 -0.31 0.00 0.00 175.10 174.68 1wfo s ARG 45 N -3.78 0.51 0.41 4.82 3.52 0.48 -0.38 118.95 124.53 1wfo s ARG 45 Ca 0.38 0.72 0.08 0.00 -0.13 0.00 0.00 55.73 56.78 1wfo s ARG 45 Cb 0.04 0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.80 1wfo s ARG 45 CO 0.19 -0.73 0.43 -0.48 -0.81 0.00 0.00 175.30 173.91 1wfo s LEU 46 N 2.86 3.51 -0.02 -0.88 2.34 -1.10 -2.78 118.68 122.60 1wfo s LEU 46 Ca 0.15 -0.61 0.00 0.00 0.06 0.00 0.00 54.13 53.74 1wfo s LEU 46 Cb -0.12 -2.27 0.02 0.00 -0.56 0.00 0.00 46.19 43.26 1wfo s LEU 46 CO -0.22 -0.66 0.00 0.27 -1.06 0.00 0.00 176.35 174.68 1wfo s ILE 47 N -2.42 0.13 0.48 1.48 -0.00 -0.33 -2.23 121.20 118.31 1wfo s ILE 47 Ca 0.50 0.09 0.00 0.00 -0.00 0.00 0.00 60.65 61.24 1wfo s ILE 47 Cb -0.06 -0.23 -0.00 0.00 -0.00 0.00 0.00 42.46 42.18 1wfo s ILE 47 CO 0.29 0.12 0.01 -2.67 -0.00 0.00 0.00 174.94 172.70 1wfo n TRP 48 N 4.03 1.07 -4.21 1.37 2.14 0.16 -1.90 117.44 120.10 1wfo n TRP 48 Ca -0.26 -2.41 -0.12 0.00 2.07 0.00 0.00 57.50 56.78 1wfo n TRP 48 Cb 0.51 -0.30 -0.10 0.00 -0.81 0.00 0.00 31.31 30.61 1wfo n TRP 48 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1wfo s GLN 49 N -3.74 0.99 0.48 -2.67 -0.21 -1.09 -4.60 119.66 108.82 1wfo s GLN 49 Ca 0.01 -1.44 -0.20 0.00 0.02 0.00 0.00 55.36 53.75 1wfo s GLN 49 Cb 0.00 -0.24 -0.08 0.00 1.00 0.00 0.00 33.01 33.69 1wfo s GLN 49 CO 0.01 -0.08 1.04 -1.25 -2.12 0.00 0.00 175.29 172.89 1wfo s PRO 50 N -3.88 3.81 -0.16 2.91 0.04 -1.26 -4.01 135.00 132.45 1wfo s PRO 50 Ca 0.19 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1wfo s PRO 50 Cb 0.06 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1wfo s PRO 50 CO 0.00 -0.42 1.27 -1.25 0.04 0.00 0.00 177.00 176.64 1wfo s PRO 51 N -3.22 4.24 0.57 0.56 0.04 -1.26 -4.73 135.00 131.20 1wfo s PRO 51 Ca 0.67 1.68 0.38 0.00 0.04 0.00 0.00 61.00 63.77 1wfo s PRO 51 Cb -0.16 -3.76 1.48 0.00 0.04 0.00 0.00 34.50 32.10 1wfo s PRO 51 CO 0.20 -0.70 1.65 0.00 0.04 0.00 0.00 177.00 178.20 1wfo h ALA 52 N 8.19 3.19 -3.15 8.56 0.00 -1.94 -2.42 119.26 131.71 1wfo h ALA 52 Ca -0.27 -0.05 -0.65 0.00 0.00 0.00 0.00 54.91 53.94 1wfo h ALA 52 Cb 1.11 0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.60 1wfo h ALA 52 CO 0.96 -1.71 -0.48 0.00 0.00 0.00 0.00 179.25 178.02 1wfo s ALA 53 N -4.78 3.71 0.16 0.00 0.00 -1.26 -4.89 121.76 114.69 1wfo s ALA 53 Ca -0.04 -3.59 -0.02 0.00 0.00 0.00 0.00 51.96 48.31 1wfo s ALA 53 Cb 0.21 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.97 1wfo s ALA 53 CO 0.73 -2.09 1.37 -1.00 0.00 0.00 0.00 175.76 174.78 1wfo h PRO 54 N 6.06 0.35 -7.08 0.00 0.13 -1.83 -3.24 132.00 126.39 1wfo h PRO 54 Ca 0.06 -0.34 -0.61 0.00 -0.87 0.00 0.00 66.00 64.23 1wfo h PRO 54 Cb 0.83 0.09 -0.33 0.00 0.13 0.00 0.00 31.00 31.72 1wfo h PRO 54 CO 0.73 1.01 -0.90 0.09 -0.23 0.00 0.00 178.00 178.70 1wfo n ASN 55 N -3.76 -1.00 0.00 1.44 3.02 -1.26 -3.32 115.26 110.38 1wfo n ASN 55 Ca -0.05 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 1wfo n ASN 55 Cb 0.78 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 1wfo n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfo n GLY 56 N -1.48 2.78 3.60 7.41 0.00 -1.25 -3.77 105.19 112.48 1wfo n GLY 56 Ca -0.01 0.13 -0.50 0.00 0.00 0.00 0.00 46.02 45.64 1wfo n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wfo n ILE 57 N 0.00 0.35 -2.89 -0.61 2.08 -1.26 -4.83 119.36 112.20 1wfo n ILE 57 Ca 0.00 -0.09 -0.41 0.00 0.56 0.00 0.00 62.75 62.81 1wfo n ILE 57 Cb 0.00 -0.98 -0.04 0.00 -0.75 0.00 0.00 39.64 37.87 1wfo n ILE 57 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1wfo s ILE 58 N 0.30 4.91 -0.08 1.39 -1.09 -1.26 -4.19 121.20 121.17 1wfo s ILE 58 Ca 0.79 1.67 0.22 0.00 -2.23 0.00 0.00 60.65 61.10 1wfo s ILE 58 Cb -0.86 -4.15 -0.26 0.00 -1.58 0.00 0.00 42.46 35.61 1wfo s ILE 58 CO 0.47 0.09 0.60 0.18 -1.23 0.00 0.00 174.94 175.05 1wfo n LEU 59 N 4.76 0.21 0.00 2.97 4.32 0.52 -4.67 117.00 125.12 1wfo n LEU 59 Ca 0.04 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1wfo n LEU 59 Cb 0.50 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1wfo n LEU 59 CO 0.49 -0.02 0.00 0.00 -1.22 0.00 0.00 177.39 176.63 1wfo n ALA 60 N -2.26 0.00 -2.42 -1.18 0.00 -1.15 -3.49 120.51 110.01 1wfo n ALA 60 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1wfo n ALA 60 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 1wfo n ALA 60 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wfo s TYR 61 N -3.00 1.20 -0.00 0.00 1.51 0.97 0.15 117.35 118.18 1wfo s TYR 61 Ca 0.00 -1.36 0.01 0.00 -1.01 0.00 0.00 57.07 54.70 1wfo s TYR 61 Cb 0.00 -0.45 0.00 0.00 -0.11 0.00 0.00 41.96 41.40 1wfo s TYR 61 CO 0.00 -0.80 -0.02 -1.14 -1.11 0.00 0.00 175.55 172.48 1wfo s GLN 62 N -3.83 0.15 -0.13 -0.62 0.74 0.29 0.18 119.66 116.45 1wfo s GLN 62 Ca 0.36 -0.05 -0.00 0.00 0.05 0.00 0.00 55.36 55.72 1wfo s GLN 62 Cb 0.04 -0.17 0.03 0.00 1.10 0.00 0.00 33.01 34.01 1wfo s GLN 62 CO 0.17 0.02 -0.08 0.42 -0.55 0.00 0.00 175.29 175.27 1wfo s ILE 63 N 0.05 1.10 -0.12 -2.34 1.01 0.36 -0.55 121.20 120.71 1wfo s ILE 63 Ca -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1wfo s ILE 63 Cb -0.02 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1wfo s ILE 63 CO -0.00 0.33 -0.15 0.42 0.00 0.00 0.00 174.94 175.54 1wfo s THR 64 N 1.67 2.86 -0.05 2.92 -4.23 -0.47 -1.96 115.64 116.38 1wfo s THR 64 Ca 0.04 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 1wfo s THR 64 Cb -0.13 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1wfo s THR 64 CO -0.08 0.53 -0.14 -1.38 -0.54 0.00 0.00 174.62 173.01 1wfo s HIS 65 N 0.35 1.46 -0.28 3.99 -3.43 -1.20 -0.24 115.29 115.95 1wfo s HIS 65 Ca -0.12 -0.46 -0.21 0.00 -0.80 0.00 0.00 55.06 53.46 1wfo s HIS 65 Cb -0.16 -1.03 0.09 0.00 -1.43 0.00 0.00 32.58 30.05 1wfo s HIS 65 CO 0.06 -0.20 0.78 -0.98 -2.00 0.00 0.00 174.74 172.40 1wfo s ARG 66 N 0.33 0.70 -0.14 -0.38 1.70 -1.20 -3.62 118.95 116.35 1wfo s ARG 66 Ca -0.08 0.98 -0.38 0.00 -0.47 0.00 0.00 55.73 55.79 1wfo s ARG 66 Cb -0.13 0.26 -0.18 0.00 -0.57 0.00 0.00 34.95 34.34 1wfo s ARG 66 CO 0.03 -0.11 1.10 1.28 -1.08 0.00 0.00 175.30 176.51 1wfo n LEU 67 N 3.26 0.33 0.03 -1.89 7.99 -1.26 -2.45 117.00 123.01 1wfo n LEU 67 Ca -0.16 1.04 0.05 0.00 -0.01 0.00 0.00 56.01 56.92 1wfo n LEU 67 Cb 0.57 -0.81 0.21 0.00 -0.11 0.00 0.00 43.42 43.28 1wfo n LEU 67 CO 0.01 -1.40 0.65 -3.20 -1.51 0.00 0.00 177.39 171.93 1wfo n ASN 68 N 2.02 0.11 -3.23 -1.43 5.15 0.24 -3.70 115.26 114.43 1wfo n ASN 68 Ca 0.21 0.54 -0.17 0.00 -0.60 0.00 0.00 54.58 54.56 1wfo n ASN 68 Cb 0.03 -0.56 -0.06 0.00 -0.53 0.00 0.00 39.78 38.66 1wfo n ASN 68 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1wfo s THR 69 N -3.08 -0.29 0.00 -0.44 -4.23 -1.26 -4.90 115.64 101.44 1wfo s THR 69 Ca 0.03 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1wfo s THR 69 Cb 0.05 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.21 1wfo s THR 69 CO 0.15 -0.65 0.00 1.07 -0.54 0.00 0.00 174.62 174.65 1wfo n THR 70 N 3.50 0.00 -3.09 3.99 5.66 -1.24 -5.04 114.28 118.05 1wfo n THR 70 Ca 0.19 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1wfo n THR 70 Cb 0.49 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1wfo n THR 70 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1wfo n THR 71 N 0.00 -3.26 -2.19 1.09 -2.24 -1.25 -4.96 114.28 101.47 1wfo n THR 71 Ca 0.00 0.62 -0.27 0.00 -2.27 0.00 0.00 64.05 62.13 1wfo n THR 71 Cb 0.00 -3.43 0.12 0.00 -2.10 0.00 0.00 70.33 64.92 1wfo n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfo s ALA 72 N -0.81 2.94 0.34 6.98 0.00 -1.26 -4.92 121.76 125.03 1wfo s ALA 72 Ca -0.01 -1.23 0.11 0.00 0.00 0.00 0.00 51.96 50.83 1wfo s ALA 72 Cb 0.00 -2.52 1.05 0.00 0.00 0.00 0.00 23.12 21.65 1wfo s ALA 72 CO 0.11 -1.79 1.58 -0.91 0.00 0.00 0.00 175.76 174.76 1wfo h ASN 73 N -0.99 -0.06 -5.30 0.00 2.35 -2.06 -3.42 115.58 106.09 1wfo h ASN 73 Ca -0.42 0.27 -0.14 0.00 -0.55 0.00 0.00 56.30 55.45 1wfo h ASN 73 Cb 1.27 0.37 -0.06 0.00 0.05 0.00 0.00 38.32 39.95 1wfo h ASN 73 CO 0.47 -0.39 -0.05 0.28 -1.65 0.00 0.00 177.43 176.09 1wfo s THR 74 N -5.76 0.00 -0.08 2.81 -1.32 -1.26 -5.16 115.64 104.86 1wfo s THR 74 Ca -0.11 -1.39 0.04 0.00 -1.21 0.00 0.00 61.69 59.02 1wfo s THR 74 Cb 0.31 -2.54 -0.02 0.00 -1.51 0.00 0.00 72.50 68.74 1wfo s THR 74 CO 0.78 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 173.00 1wfo s ALA 75 N -3.20 2.42 -0.44 11.08 0.00 -1.26 -5.04 121.76 125.32 1wfo s ALA 75 Ca 0.24 -0.98 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 1wfo s ALA 75 Cb -0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1wfo s ALA 75 CO 0.14 0.40 2.13 0.99 0.00 0.00 0.00 175.76 179.42 1wfo s THR 76 N -0.13 3.18 -0.15 0.00 2.01 -1.24 -4.90 115.64 114.40 1wfo s THR 76 Ca -0.03 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 1wfo s THR 76 Cb -0.14 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1wfo s THR 76 CO 0.04 -0.31 0.15 -0.69 -0.69 0.00 0.00 174.62 173.12 1wfo s VAL 77 N 9.76 5.44 -0.03 3.82 1.01 -1.26 -3.24 120.40 135.91 1wfo s VAL 77 Ca 0.87 0.23 0.03 0.00 0.00 0.00 0.00 61.98 63.11 1wfo s VAL 77 Cb -0.20 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1wfo s VAL 77 CO 0.28 0.53 -0.09 -0.70 0.00 0.00 0.00 175.10 175.11 1wfo s GLU 78 N -0.34 0.97 -0.21 2.72 2.12 -0.83 -4.98 118.70 118.15 1wfo s GLU 78 Ca 0.12 -0.31 -0.13 0.00 0.36 0.00 0.00 54.97 55.01 1wfo s GLU 78 Cb -0.12 -0.91 -0.05 0.00 0.26 0.00 0.00 34.13 33.32 1wfo s GLU 78 CO 0.02 0.12 0.27 0.08 -0.54 0.00 0.00 175.26 175.20 1wfo s VAL 79 N 0.18 5.30 0.43 3.70 1.01 -1.26 -0.49 120.40 129.27 1wfo s VAL 79 Ca -0.03 0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1wfo s VAL 79 Cb -0.08 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1wfo s VAL 79 CO 0.00 0.32 0.40 -0.76 0.00 0.00 0.00 175.10 175.07 1wfo s LEU 80 N 1.01 3.32 0.83 3.92 1.43 0.47 -4.90 118.68 124.76 1wfo s LEU 80 Ca 0.13 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1wfo s LEU 80 Cb -0.14 -1.97 0.09 0.00 0.03 0.00 0.00 46.19 44.20 1wfo s LEU 80 CO 0.05 -0.72 1.12 0.00 0.23 0.00 0.00 176.35 177.03 1wfo s ALA 81 N -2.51 2.23 -1.59 4.21 0.00 -1.26 -0.02 121.76 122.82 1wfo s ALA 81 Ca 0.47 -0.40 0.23 0.00 0.00 0.00 0.00 51.96 52.26 1wfo s ALA 81 Cb -0.03 -3.05 1.22 0.00 0.00 0.00 0.00 23.12 21.26 1wfo s ALA 81 CO 0.28 -1.84 1.75 -0.35 0.00 0.00 0.00 175.76 175.60 1wfo n PRO 82 N -3.48 0.44 -1.33 0.00 -0.04 -1.23 -2.65 135.00 126.71 1wfo n PRO 82 Ca 0.07 0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1wfo n PRO 82 Cb 0.58 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.65 1wfo n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfo n SER 83 N -1.21 3.56 -4.53 3.54 2.88 -1.26 -4.85 113.62 111.76 1wfo n SER 83 Ca 0.13 -3.82 -0.37 0.00 -1.33 0.00 0.00 58.87 53.48 1wfo n SER 83 Cb 0.15 -0.47 -0.12 0.00 -0.75 0.00 0.00 64.21 63.03 1wfo n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfo s ALA 84 N -3.44 3.33 -0.34 -1.46 0.00 -1.09 -4.93 121.76 113.83 1wfo s ALA 84 Ca 0.46 -1.05 0.15 0.00 0.00 0.00 0.00 51.96 51.52 1wfo s ALA 84 Cb 0.40 -2.19 -0.20 0.00 0.00 0.00 0.00 23.12 21.14 1wfo s ALA 84 CO -0.01 -0.39 0.47 -2.13 0.00 0.00 0.00 175.76 173.70 1wfo n ARG 85 N 4.72 1.29 -3.93 0.00 3.00 -1.26 -4.94 116.66 115.54 1wfo n ARG 85 Ca -0.16 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.85 57.53 1wfo n ARG 85 Cb 0.52 -1.28 -0.06 0.00 0.00 0.00 0.00 32.46 31.64 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wfo s GLN 86 N -2.72 1.23 -0.09 -0.14 -2.07 -1.26 0.36 119.66 114.96 1wfo s GLN 86 Ca -0.00 -1.14 -0.13 0.00 -1.82 0.00 0.00 55.36 52.27 1wfo s GLN 86 Cb 0.10 0.41 0.03 0.00 -1.09 0.00 0.00 33.01 32.46 1wfo s GLN 86 CO 0.61 -0.47 0.34 -0.47 -1.32 0.00 0.00 175.29 173.99 1wfo s TYR 87 N -3.96 -0.32 -0.26 9.60 5.04 -0.95 -5.00 117.35 121.50 1wfo s TYR 87 Ca 0.17 0.73 -0.10 0.00 -2.44 0.00 0.00 57.07 55.43 1wfo s TYR 87 Cb 0.02 0.12 -0.04 0.00 0.35 0.00 0.00 41.96 42.41 1wfo s TYR 87 CO 0.00 -0.26 0.14 0.99 -1.34 0.00 0.00 175.55 175.09 1wfo s THR 88 N -0.32 4.97 -0.31 4.34 2.01 -1.26 -2.69 115.64 122.38 1wfo s THR 88 Ca -0.04 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 1wfo s THR 88 Cb -0.03 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 1wfo s THR 88 CO 0.02 0.31 0.15 0.00 -0.69 0.00 0.00 174.62 174.41 1wfo s ALA 89 N 1.50 3.27 0.32 7.40 0.00 0.49 -4.97 121.76 129.77 1wfo s ALA 89 Ca 0.07 -1.39 0.09 0.00 0.00 0.00 0.00 51.96 50.73 1wfo s ALA 89 Cb -0.15 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1wfo s ALA 89 CO 0.07 -0.90 0.03 0.95 0.00 0.00 0.00 175.76 175.91 1wfo s THR 90 N 1.61 2.95 -0.65 0.00 -4.23 -1.26 0.94 115.64 115.00 1wfo s THR 90 Ca 0.05 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 1wfo s THR 90 Cb -0.17 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 1wfo s THR 90 CO 0.06 -0.25 0.58 0.61 -0.54 0.00 0.00 174.62 175.08 1wfo n GLY 91 N -0.97 -0.79 3.41 3.99 0.00 0.28 -4.90 105.19 106.21 1wfo n GLY 91 Ca -0.05 0.32 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 1wfo n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfo s LEU 92 N -4.07 2.55 -0.18 0.99 1.43 -0.75 -4.98 118.68 113.66 1wfo s LEU 92 Ca 0.16 -1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 51.99 1wfo s LEU 92 Cb -0.02 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 1wfo s LEU 92 CO 0.54 -0.20 0.49 -0.75 0.23 0.00 0.00 176.35 176.66 1wfo s LYS 93 N -3.65 4.22 0.77 1.70 2.20 -1.26 -3.61 119.74 120.12 1wfo s LYS 93 Ca 0.27 0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 56.16 1wfo s LYS 93 Cb 0.00 -3.53 0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1wfo s LYS 93 CO 0.11 -0.06 1.09 -1.25 -0.36 0.00 0.00 175.35 174.88 1wfo s PRO 94 N 1.34 2.29 -1.24 4.03 0.04 -1.26 -4.02 135.00 136.18 1wfo s PRO 94 Ca 0.24 0.72 -0.05 0.00 0.04 0.00 0.00 61.00 61.95 1wfo s PRO 94 Cb -0.15 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1wfo s PRO 94 CO 0.09 -1.50 1.06 0.39 0.04 0.00 0.00 177.00 177.09 1wfo n GLU 95 N -3.36 -7.13 -3.65 4.56 1.02 0.41 -4.94 120.64 107.55 1wfo n GLU 95 Ca 0.07 0.80 -0.12 0.00 -0.02 0.00 0.00 57.16 57.90 1wfo n GLU 95 Cb 0.56 -5.74 -0.01 0.00 -0.02 0.00 0.00 31.44 26.23 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfo n SER 96 N -2.91 -1.44 -4.17 1.62 7.64 -1.25 -4.97 113.62 108.13 1wfo n SER 96 Ca -0.11 -2.62 -0.30 0.00 1.01 0.00 0.00 58.87 56.86 1wfo n SER 96 Cb 0.60 2.58 -0.17 0.00 -1.01 0.00 0.00 64.21 66.22 1wfo n SER 96 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wfo s VAL 97 N -2.62 1.81 -0.13 0.44 1.01 -1.26 -1.15 120.40 118.50 1wfo s VAL 97 Ca 0.23 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1wfo s VAL 97 Cb -0.02 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 1wfo s VAL 97 CO 0.16 0.51 -0.18 -0.31 0.00 0.00 0.00 175.10 175.28 1wfo s TYR 98 N 0.35 2.72 -0.37 5.22 1.51 0.20 0.83 117.35 127.81 1wfo s TYR 98 Ca -0.16 -1.00 -0.18 0.00 -1.01 0.00 0.00 57.07 54.72 1wfo s TYR 98 Cb -0.17 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1wfo s TYR 98 CO 0.07 -0.42 0.53 -1.17 -1.11 0.00 0.00 175.55 173.45 1wfo s LEU 99 N 0.60 4.41 -0.32 -1.29 1.98 -1.03 0.74 118.68 123.78 1wfo s LEU 99 Ca -0.10 -0.12 -0.16 0.00 -2.89 0.00 0.00 54.13 50.86 1wfo s LEU 99 Cb -0.16 -2.60 -0.02 0.00 0.66 0.00 0.00 46.19 44.08 1wfo s LEU 99 CO 0.03 -0.54 0.41 -0.36 -1.89 0.00 0.00 176.35 174.01 1wfo s PHE 100 N 2.45 3.21 -0.35 5.38 0.40 0.53 -3.26 117.98 126.33 1wfo s PHE 100 Ca 0.19 0.17 -0.09 0.00 -0.60 0.00 0.00 56.93 56.59 1wfo s PHE 100 Cb -0.15 -2.72 0.02 0.00 0.51 0.00 0.00 43.02 40.68 1wfo s PHE 100 CO 0.14 -0.41 0.17 0.50 0.70 0.00 0.00 175.22 176.32 1wfo s ARG 101 N 2.15 2.87 -0.10 0.44 3.52 0.67 0.29 118.95 128.79 1wfo s ARG 101 Ca 0.15 -1.04 -0.11 0.00 -0.13 0.00 0.00 55.73 54.60 1wfo s ARG 101 Cb -0.16 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.56 1wfo s ARG 101 CO 0.12 -0.63 0.25 0.42 -0.81 0.00 0.00 175.30 174.65 1wfo s ILE 102 N 1.52 5.31 0.04 4.11 1.01 0.44 -1.37 121.20 132.27 1wfo s ILE 102 Ca 0.02 0.47 -0.11 0.00 0.00 0.00 0.00 60.65 61.02 1wfo s ILE 102 Cb -0.19 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1wfo s ILE 102 CO 0.05 0.55 0.24 -0.89 0.00 0.00 0.00 174.94 174.89 1wfo s THR 103 N -0.62 0.10 0.21 2.92 2.01 0.29 -0.20 115.64 120.35 1wfo s THR 103 Ca 0.17 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.46 1wfo s THR 103 Cb -0.14 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1wfo s THR 103 CO 0.06 -0.43 0.09 0.00 -0.69 0.00 0.00 174.62 173.65 1wfo s ALA 104 N -2.49 3.39 -0.19 7.40 0.00 -1.26 0.11 121.76 128.71 1wfo s ALA 104 Ca -0.06 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 1wfo s ALA 104 Cb -0.01 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1wfo s ALA 104 CO -0.03 0.38 -0.14 -1.14 0.00 0.00 0.00 175.76 174.82 1wfo s GLN 105 N -3.39 3.14 0.48 0.00 0.74 0.39 -3.58 119.66 117.44 1wfo s GLN 105 Ca 0.31 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 54.98 1wfo s GLN 105 Cb -0.08 -2.72 -0.02 0.00 1.10 0.00 0.00 33.01 31.29 1wfo s GLN 105 CO 0.22 -0.19 0.04 0.95 -0.55 0.00 0.00 175.29 175.76 1wfo s THR 106 N 1.31 1.02 0.56 -0.34 -4.23 0.13 0.20 115.64 114.28 1wfo s THR 106 Ca 0.04 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 58.98 1wfo s THR 106 Cb -0.14 -2.24 0.44 0.00 1.34 0.00 0.00 72.50 71.90 1wfo s THR 106 CO -0.09 0.00 2.30 0.08 -0.54 0.00 0.00 174.62 176.37 1wfo h ARG 107 N 1.49 0.00 0.18 3.99 0.11 -1.92 -1.19 114.38 117.04 1wfo h ARG 107 Ca -0.41 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.33 1wfo h ARG 107 Cb 1.30 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.39 1wfo h ARG 107 CO 0.69 0.00 -1.68 0.87 0.10 0.00 0.00 179.97 179.96 1wfo h LYS 108 N 0.00 0.38 0.00 0.08 1.79 -1.93 -3.51 116.57 113.38 1wfo h LYS 108 Ca -0.00 -0.65 0.00 0.00 -2.18 0.00 0.00 60.65 57.82 1wfo h LYS 108 Cb 0.10 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1wfo h LYS 108 CO 0.00 1.29 0.00 0.41 -1.08 0.00 0.00 179.45 180.07 1wfo n GLY 109 N 1.80 0.13 3.23 3.86 0.00 -0.45 -4.96 105.19 108.81 1wfo n GLY 109 Ca -0.22 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1wfo n GLY 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wfo s TRP 110 N -1.01 3.02 0.00 1.61 0.52 -1.26 0.19 118.94 122.00 1wfo s TRP 110 Ca 0.00 -1.35 0.00 0.00 0.02 0.00 0.00 56.10 54.77 1wfo s TRP 110 Cb 0.00 -2.07 0.00 0.00 -1.15 0.00 0.00 33.47 30.25 1wfo s TRP 110 CO 0.00 -0.68 0.00 0.41 0.02 0.00 0.00 176.95 176.70 1wfo n GLY 111 N 4.71 0.24 3.23 0.98 0.00 -1.23 -4.96 105.19 108.17 1wfo n GLY 111 Ca -0.17 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 1wfo n GLY 111 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wfo n GLU 112 N 0.00 -1.04 -3.87 1.61 4.07 -1.00 -4.80 120.64 115.61 1wfo n GLU 112 Ca 0.00 -0.29 -0.15 0.00 -0.06 0.00 0.00 57.16 56.66 1wfo n GLU 112 Cb 0.00 -1.55 -0.16 0.00 -0.06 0.00 0.00 31.44 29.67 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wfo s ALA 113 N -2.20 0.17 -0.25 4.31 0.00 -1.26 -4.41 121.76 118.11 1wfo s ALA 113 Ca 0.51 0.16 -0.20 0.00 0.00 0.00 0.00 51.96 52.44 1wfo s ALA 113 Cb -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1wfo s ALA 113 CO 0.67 -0.06 0.59 0.00 0.00 0.00 0.00 175.76 176.96 1wfo s ALA 114 N 0.75 3.60 -0.21 0.00 0.00 0.72 -4.84 121.76 121.79 1wfo s ALA 114 Ca -0.07 -0.47 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1wfo s ALA 114 Cb -0.10 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1wfo s ALA 114 CO -0.02 -0.76 0.31 -1.21 0.00 0.00 0.00 175.76 174.09 1wfo s GLU 115 N 2.38 4.15 -0.06 0.00 8.01 -1.26 -0.42 118.70 131.50 1wfo s GLU 115 Ca 0.25 0.04 -0.01 0.00 0.01 0.00 0.00 54.97 55.26 1wfo s GLU 115 Cb -0.16 -3.52 0.03 0.00 -4.31 0.00 0.00 34.13 26.17 1wfo s GLU 115 CO 0.09 0.03 0.02 0.00 0.01 0.00 0.00 175.26 175.41 1wfo s ALA 116 N 1.11 0.57 0.21 5.21 0.00 0.14 -4.94 121.76 124.07 1wfo s ALA 116 Ca 0.15 -0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 1wfo s ALA 116 Cb -0.14 -0.71 -0.08 0.00 0.00 0.00 0.00 23.12 22.19 1wfo s ALA 116 CO 0.06 -0.46 0.64 -0.51 0.00 0.00 0.00 175.76 175.49 1wfo s LEU 117 N 2.01 4.29 -0.16 0.00 1.43 -1.26 0.20 118.68 125.19 1wfo s LEU 117 Ca 0.05 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.30 1wfo s LEU 117 Cb -0.12 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1wfo s LEU 117 CO -0.05 0.02 0.37 0.54 0.23 0.00 0.00 176.35 177.46 1wfo s VAL 118 N -1.59 -0.15 0.51 -1.59 0.11 0.23 -4.92 120.40 113.00 1wfo s VAL 118 Ca 0.43 0.13 -0.08 0.00 -2.93 0.00 0.00 61.98 59.52 1wfo s VAL 118 Cb -0.15 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1wfo s VAL 118 CO 0.20 0.05 0.87 -0.69 -3.33 0.00 0.00 175.10 172.20 1wfo s VAL 119 N 1.63 4.81 -0.26 2.04 1.01 -1.26 0.60 120.40 128.97 1wfo s VAL 119 Ca -0.08 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 1wfo s VAL 119 Cb -0.10 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1wfo s VAL 119 CO -0.12 -0.88 -0.03 0.42 0.00 0.00 0.00 175.10 174.49 1wfo s THR 120 N -2.81 3.07 -0.04 3.92 -4.23 -0.30 -4.81 115.64 110.44 1wfo s THR 120 Ca 0.51 -1.00 -0.31 0.00 -1.18 0.00 0.00 61.69 59.71 1wfo s THR 120 Cb -0.10 -2.58 0.13 0.00 1.34 0.00 0.00 72.50 71.28 1wfo s THR 120 CO 0.45 0.15 1.33 0.28 -0.54 0.00 0.00 174.62 176.28 1wfo s THR 121 N 1.35 0.00 -0.07 3.99 -1.32 -1.18 0.16 115.64 118.57 1wfo s THR 121 Ca 0.00 -0.16 -0.04 0.00 -1.21 0.00 0.00 61.69 60.27 1wfo s THR 121 Cb -0.17 -2.06 -0.27 0.00 -1.51 0.00 0.00 72.50 68.49 1wfo s THR 121 CO -0.03 0.00 0.59 -0.33 -2.21 0.00 0.00 174.62 172.64 1wfo h GLU 122 N 2.00 0.26 -7.36 7.08 5.08 -1.89 -3.35 114.58 116.40 1wfo h GLU 122 Ca -0.31 -0.44 -0.44 0.00 -1.00 0.00 0.00 59.36 57.17 1wfo h GLU 122 Cb 1.20 0.16 0.17 0.00 0.50 0.00 0.00 28.75 30.78 1wfo h GLU 122 CO 0.29 1.12 0.17 0.15 -1.00 0.00 0.00 179.01 179.74 1wfo s LYS 123 N -2.58 -0.07 -0.15 2.33 1.02 -1.26 -5.02 119.74 114.01 1wfo s LYS 123 Ca -0.15 0.37 -0.11 0.00 0.02 0.00 0.00 55.97 56.09 1wfo s LYS 123 Cb 0.07 -1.69 -0.06 0.00 -0.52 0.00 0.00 37.83 35.62 1wfo s LYS 123 CO 0.82 -3.03 -0.24 -2.13 -0.92 0.00 0.00 175.35 169.84 1wfo n ARG 124 N -4.36 0.38 -1.03 1.68 0.63 -1.26 -5.09 116.66 107.61 1wfo n ARG 124 Ca 0.07 0.16 0.12 0.00 -0.92 0.00 0.00 57.85 57.27 1wfo n ARG 124 Cb 0.58 -1.16 -0.06 0.00 0.45 0.00 0.00 32.46 32.27 1wfo n ARG 124 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1wfo n SER 125 N -3.99 -5.60 -3.37 6.15 7.64 -1.26 -5.06 113.62 108.14 1wfo n SER 125 Ca -0.25 1.07 0.03 0.00 1.01 0.00 0.00 58.87 60.72 1wfo n SER 125 Cb 0.58 -3.53 -0.05 0.00 -1.01 0.00 0.00 64.21 60.21 1wfo n SER 125 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfo s GLY 126 N -6.21 0.36 0.40 0.23 0.00 -1.26 -5.16 107.32 95.68 1wfo s GLY 126 Ca 0.00 3.66 -0.24 0.00 0.00 0.00 0.00 44.72 48.15 1wfo s GLY 126 CO 0.00 3.14 1.05 2.56 0.00 0.00 0.00 173.10 179.85 1wfo s PRO 127 N 1.71 4.15 0.10 2.90 0.04 -1.26 -4.80 135.00 137.85 1wfo s PRO 127 Ca -0.03 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1wfo s PRO 127 Cb -0.02 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1wfo s PRO 127 CO -0.14 -0.16 0.00 -1.13 0.04 0.00 0.00 177.00 175.61 1wfo n SER 128 N -0.10 -0.93 -4.81 6.66 3.41 -1.26 -5.15 113.62 111.45 1wfo n SER 128 Ca 0.05 0.45 -0.30 0.00 -0.26 0.00 0.00 58.87 58.81 1wfo n SER 128 Cb 0.50 1.16 0.08 0.00 -0.26 0.00 0.00 64.21 65.69 1wfo n SER 128 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wfo s SER 129 N -2.00 4.62 0.00 4.04 0.01 -1.26 -5.39 113.70 113.71 1wfo s SER 129 Ca 0.00 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1wfo s SER 129 Cb 0.00 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1wfo s SER 129 CO 0.00 -1.90 0.00 0.61 0.41 0.00 0.00 173.24 172.36