#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfo s SER 2 N 0.00 -0.95 0.32 1.61 0.15 -1.26 -5.17 113.70 108.40 1wfo s SER 2 Ca 0.00 0.75 0.06 0.00 0.70 0.00 0.00 55.95 57.46 1wfo s SER 2 Cb 0.00 1.86 -0.01 0.00 -1.71 0.00 0.00 66.02 66.16 1wfo s SER 2 CO 0.00 -0.18 0.45 -0.55 1.20 0.00 0.00 173.24 174.16 1wfo s SER 3 N 2.84 6.05 0.27 5.45 0.15 -1.26 -5.12 113.70 122.08 1wfo s SER 3 Ca 0.08 -0.10 -0.20 0.00 0.70 0.00 0.00 55.95 56.43 1wfo s SER 3 Cb -0.12 -1.40 0.05 0.00 -1.71 0.00 0.00 66.02 62.84 1wfo s SER 3 CO -0.17 -0.36 0.86 -0.83 1.20 0.00 0.00 173.24 173.94 1wfo s GLY 4 N -4.13 0.06 0.00 9.45 0.00 -1.26 -5.17 107.32 106.27 1wfo s GLY 4 Ca 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1wfo s GLY 4 CO 0.31 0.35 0.00 1.44 0.00 0.00 0.00 173.10 175.20 1wfo n SER 5 N -0.91 0.00 -3.65 1.64 7.64 -1.26 -5.18 113.62 111.90 1wfo n SER 5 Ca -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.82 1wfo n SER 5 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1wfo n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfo s SER 6 N 0.00 -0.11 0.21 6.43 1.04 -1.26 -5.19 113.70 114.82 1wfo s SER 6 Ca 0.00 -0.19 -0.23 0.00 0.48 0.00 0.00 55.95 56.01 1wfo s SER 6 Cb 0.00 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1wfo s SER 6 CO 0.00 -0.47 0.75 -0.83 0.98 0.00 0.00 173.24 173.67 1wfo s GLY 7 N -2.89 -0.25 0.07 7.32 0.00 -1.26 -5.19 107.32 105.13 1wfo s GLY 7 Ca 0.13 0.03 -0.08 0.00 0.00 0.00 0.00 44.72 44.79 1wfo s GLY 7 CO -0.02 0.01 0.17 -1.60 0.00 0.00 0.00 173.10 171.65 1wfo s ARG 8 N -3.71 0.78 0.47 2.90 6.06 -1.26 -5.18 118.95 119.02 1wfo s ARG 8 Ca 0.09 -0.90 0.06 0.00 -2.50 0.00 0.00 55.73 52.47 1wfo s ARG 8 Cb -0.04 0.32 -0.01 0.00 0.06 0.00 0.00 34.95 35.28 1wfo s ARG 8 CO 0.01 -0.24 0.23 0.96 -2.50 0.00 0.00 175.30 173.77 1wfo s ILE 9 N -3.54 1.91 0.00 4.11 -5.25 -1.26 -5.12 121.20 112.04 1wfo s ILE 9 Ca 0.03 -1.66 0.00 0.00 -0.99 0.00 0.00 60.65 58.02 1wfo s ILE 9 Cb 0.04 -2.57 0.00 0.00 2.95 0.00 0.00 42.46 42.88 1wfo s ILE 9 CO -0.09 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.67 1wfo n GLY 10 N -1.43 4.71 0.00 6.27 0.00 -1.26 -5.19 105.19 108.29 1wfo n GLY 10 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1wfo n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wfo n ASP 11 N 0.00 0.00 -3.62 1.61 5.68 -1.26 -5.18 116.55 113.78 1wfo n ASP 11 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.23 1wfo n ASP 11 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1wfo n ASP 11 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1wfo s GLY 12 N 0.00 -0.36 -0.30 6.12 0.00 -1.26 -5.15 107.32 106.38 1wfo s GLY 12 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 44.72 45.21 1wfo s GLY 12 CO 0.00 0.18 1.10 -0.45 0.00 0.00 0.00 173.10 173.93 1wfo s SER 13 N -2.70 -0.26 0.29 1.64 0.15 -1.26 -5.16 113.70 106.40 1wfo s SER 13 Ca 0.09 0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.47 1wfo s SER 13 Cb -0.01 1.13 -0.09 0.00 -1.71 0.00 0.00 66.02 65.33 1wfo s SER 13 CO -0.04 -0.05 1.08 -2.16 1.20 0.00 0.00 173.24 173.27 1wfo s PRO 14 N 2.92 4.61 0.00 5.44 0.04 -1.26 -5.01 135.00 141.75 1wfo s PRO 14 Ca 0.29 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1wfo s PRO 14 Cb -0.01 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1wfo s PRO 14 CO -0.22 0.21 0.00 0.43 0.04 0.00 0.00 177.00 177.45 1wfo n SER 15 N 1.09 0.00 -4.73 6.66 7.64 -1.26 -5.13 113.62 117.89 1wfo n SER 15 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1wfo n SER 15 Cb 0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 1wfo n SER 15 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1wfo s HIS 16 N -2.00 2.92 0.46 1.43 3.76 -1.26 -4.96 115.29 115.64 1wfo s HIS 16 Ca 0.00 0.51 -0.21 0.00 -0.15 0.00 0.00 55.06 55.21 1wfo s HIS 16 Cb 0.00 -4.07 -0.09 0.00 1.11 0.00 0.00 32.58 29.54 1wfo s HIS 16 CO 0.00 -3.92 1.04 -1.25 -0.85 0.00 0.00 174.74 169.77 1wfo s PRO 17 N 0.81 3.91 0.62 8.40 0.04 -1.26 -5.05 135.00 142.46 1wfo s PRO 17 Ca 0.71 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 63.06 1wfo s PRO 17 Cb -0.48 -2.23 0.15 0.00 0.04 0.00 0.00 34.50 31.98 1wfo s PRO 17 CO 0.35 -0.35 0.68 -0.35 0.04 0.00 0.00 177.00 177.38 1wfo n PRO 18 N -0.70 -1.45 -1.06 0.56 -0.04 -1.26 -4.98 135.00 126.08 1wfo n PRO 18 Ca 0.08 -1.07 -0.35 0.00 -0.04 0.00 0.00 63.50 62.12 1wfo n PRO 18 Cb 0.52 -0.84 0.08 0.00 -0.04 0.00 0.00 33.50 33.21 1wfo n PRO 18 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1wfo n ILE 19 N -3.42 0.75 -0.77 0.52 -0.00 -1.26 -4.68 119.36 110.51 1wfo n ILE 19 Ca 0.09 -0.35 -0.23 0.00 -0.00 0.00 0.00 62.75 62.25 1wfo n ILE 19 Cb 0.33 -0.52 -0.02 0.00 -0.00 0.00 0.00 39.64 39.43 1wfo n ILE 19 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1wfo n LEU 20 N 0.21 4.87 0.00 1.39 7.94 -1.26 -4.50 117.00 125.65 1wfo n LEU 20 Ca 0.07 -2.89 0.00 0.00 -1.11 0.00 0.00 56.01 52.08 1wfo n LEU 20 Cb 0.52 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1wfo n LEU 20 CO 0.51 0.55 0.00 1.21 -1.11 0.00 0.00 177.39 178.55 1wfo n GLU 21 N 4.40 0.00 0.00 1.96 4.07 -1.26 -5.13 120.64 124.68 1wfo n GLU 21 Ca 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 1wfo n GLU 21 Cb 0.15 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.53 1wfo n GLU 21 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1wfo n ARG 22 N 0.00 0.00 0.00 5.31 1.74 -1.26 -5.05 116.66 117.40 1wfo n ARG 22 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1wfo n ARG 22 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1wfo n ARG 22 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1wfo n THR 23 N 0.00 0.86 -3.97 0.55 -1.04 -1.26 -5.02 114.28 104.40 1wfo n THR 23 Ca 0.00 0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 61.99 1wfo n THR 23 Cb 0.00 -1.60 -0.17 0.00 -1.82 0.00 0.00 70.33 66.75 1wfo n THR 23 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1wfo s LEU 24 N -6.49 1.48 -0.30 -4.42 0.20 -1.26 -4.43 118.68 103.47 1wfo s LEU 24 Ca -0.06 -0.42 -0.17 0.00 0.69 0.00 0.00 54.13 54.17 1wfo s LEU 24 Cb 0.01 -1.04 0.21 0.00 -0.43 0.00 0.00 46.19 44.94 1wfo s LEU 24 CO 0.09 -0.08 1.31 1.51 -0.29 0.00 0.00 176.35 178.88 1wfo s ASP 25 N 1.58 -0.03 0.00 3.68 1.47 -1.16 -4.92 116.67 117.28 1wfo s ASP 25 Ca 0.05 0.06 0.00 0.00 1.18 0.00 0.00 52.55 53.83 1wfo s ASP 25 Cb -0.13 0.88 0.00 0.00 -0.34 0.00 0.00 42.92 43.33 1wfo s ASP 25 CO -0.10 -0.01 0.00 0.47 0.68 0.00 0.00 175.17 176.21 1wfo n ASP 26 N 2.84 0.00 -4.51 2.11 8.00 -1.26 -4.85 116.55 118.88 1wfo n ASP 26 Ca -0.16 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.03 1wfo n ASP 26 Cb 0.56 0.69 0.17 0.00 -0.02 0.00 0.00 41.12 42.52 1wfo n ASP 26 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1wfo n VAL 27 N -1.16 0.00 -1.54 2.53 0.24 -1.26 -4.50 118.33 112.65 1wfo n VAL 27 Ca 0.00 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.34 61.84 1wfo n VAL 27 Cb 0.00 -0.83 0.13 0.00 -1.47 0.00 0.00 33.84 31.67 1wfo n VAL 27 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wfo s PRO 28 N -4.13 1.20 0.00 7.34 0.04 -1.21 -4.84 135.00 133.40 1wfo s PRO 28 Ca 0.63 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1wfo s PRO 28 Cb -0.21 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wfo s PRO 28 CO 0.63 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1wfo n GLY 29 N -2.20 0.06 3.74 0.56 0.00 -1.23 -2.03 105.19 104.09 1wfo n GLY 29 Ca 0.07 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.35 4.58 -0.48 1.61 0.04 -1.26 -3.93 135.00 133.21 1wfo s PRO 30 Ca 0.00 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1wfo s PRO 30 Cb 0.00 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.28 1wfo s PRO 30 CO 0.00 0.06 1.45 -1.25 0.04 0.00 0.00 177.00 177.30 1wfo s PRO 31 N -0.43 3.40 0.51 0.56 0.04 -1.26 -4.64 135.00 133.17 1wfo s PRO 31 Ca 0.49 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 1wfo s PRO 31 Cb -0.30 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.14 1wfo s PRO 31 CO 0.36 -1.79 0.78 0.00 0.04 0.00 0.00 177.00 176.39 1wfo s MET 32 N 5.31 3.14 0.00 4.56 0.23 -1.24 -4.53 119.30 126.77 1wfo s MET 32 Ca 0.59 -0.12 0.00 0.00 -1.03 0.00 0.00 55.69 55.13 1wfo s MET 32 Cb -0.13 -2.40 0.00 0.00 -1.53 0.00 0.00 34.83 30.77 1wfo s MET 32 CO 0.29 -0.40 0.00 0.41 -2.03 0.00 0.00 175.02 173.29 1wfo n GLY 33 N -2.31 0.88 3.48 3.16 0.00 -1.26 -2.12 105.19 107.02 1wfo n GLY 33 Ca 0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.52 4.53 0.16 -0.61 -1.09 -1.26 -3.89 121.20 116.53 1wfo s ILE 34 Ca 0.00 -0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.35 1wfo s ILE 34 Cb 0.00 -4.50 -0.04 0.00 -1.58 0.00 0.00 42.46 36.34 1wfo s ILE 34 CO 0.00 -1.10 -0.17 -0.76 -1.23 0.00 0.00 174.94 171.67 1wfo s LEU 35 N 3.53 2.43 -0.52 2.97 2.01 -0.69 -5.00 118.68 123.42 1wfo s LEU 35 Ca 0.23 -0.85 0.02 0.00 0.01 0.00 0.00 54.13 53.54 1wfo s LEU 35 Cb -0.16 -0.77 0.13 0.00 0.01 0.00 0.00 46.19 45.40 1wfo s LEU 35 CO 0.14 -0.06 0.27 -0.36 1.01 0.00 0.00 176.35 177.36 1wfo s PHE 36 N -2.08 3.31 -0.08 0.29 0.08 -1.26 -1.29 117.98 116.95 1wfo s PHE 36 Ca 0.14 -3.05 -0.25 0.00 0.12 0.00 0.00 56.93 53.90 1wfo s PHE 36 Cb -0.05 -2.92 -0.21 0.00 -0.57 0.00 0.00 43.02 39.27 1wfo s PHE 36 CO 0.06 -0.79 0.93 -1.00 -0.10 0.00 0.00 175.22 174.31 1wfo h PRO 37 N 6.77 -0.05 -4.83 0.24 0.13 -1.94 -3.43 132.00 128.89 1wfo h PRO 37 Ca -0.06 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.39 1wfo h PRO 37 Cb 0.92 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 31.75 1wfo h PRO 37 CO 0.68 0.62 -0.71 -2.00 -0.23 0.00 0.00 178.00 176.35 1wfo s GLU 38 N -3.13 2.72 -0.06 0.86 2.12 -1.12 -5.05 118.70 115.03 1wfo s GLU 38 Ca -0.16 -1.07 -0.02 0.00 0.36 0.00 0.00 54.97 54.08 1wfo s GLU 38 Cb -0.01 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 31.29 1wfo s GLU 38 CO 0.61 -0.50 0.07 0.08 -0.54 0.00 0.00 175.26 174.98 1wfo s VAL 39 N 1.33 -0.11 0.00 3.70 1.01 -1.26 0.20 120.40 125.27 1wfo s VAL 39 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1wfo s VAL 39 Cb -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1wfo s VAL 39 CO -0.02 0.12 0.00 0.54 0.00 0.00 0.00 175.10 175.74 1wfo n ARG 40 N 5.30 2.96 0.00 2.72 1.74 0.59 -4.64 116.66 125.32 1wfo n ARG 40 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1wfo n ARG 40 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 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 -0.10 0.00 -0.01 0.55 -2.24 -1.26 -2.98 114.28 108.24 1wfo n THR 41 Ca 0.00 0.37 -0.03 0.00 -2.27 0.00 0.00 64.05 62.13 1wfo n THR 41 Cb 0.00 -0.96 0.16 0.00 -2.10 0.00 0.00 70.33 67.43 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 -0.14 1.67 -3.65 4.28 -2.24 -1.23 -4.35 114.28 108.62 1wfo n THR 42 Ca 0.00 -0.80 -0.08 0.00 -2.27 0.00 0.00 64.05 60.90 1wfo n THR 42 Cb 0.00 -0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 67.62 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 -0.29 -0.83 0.24 3.42 1.04 -1.26 0.13 113.70 116.15 1wfo s SER 43 Ca 0.28 1.35 -0.01 0.00 0.48 0.00 0.00 55.95 58.05 1wfo s SER 43 Cb 0.22 1.25 -0.03 0.00 0.10 0.00 0.00 66.02 67.56 1wfo s SER 43 CO 0.07 -0.23 0.24 0.68 0.98 0.00 0.00 173.24 174.98 1wfo s VAL 44 N 1.62 0.00 -0.30 5.02 -7.23 0.23 0.22 120.40 119.95 1wfo s VAL 44 Ca -0.10 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1wfo s VAL 44 Cb -0.06 -2.47 0.19 0.00 0.56 0.00 0.00 36.38 34.60 1wfo s VAL 44 CO -0.18 0.00 0.62 -0.60 -0.31 0.00 0.00 175.10 174.63 1wfo s ARG 45 N -3.91 0.55 0.41 4.82 3.52 0.54 0.01 118.95 124.88 1wfo s ARG 45 Ca 0.36 0.80 0.08 0.00 -0.13 0.00 0.00 55.73 56.84 1wfo s ARG 45 Cb 0.04 0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.84 1wfo s ARG 45 CO 0.15 -0.76 0.38 -0.48 -0.81 0.00 0.00 175.30 173.79 1wfo s LEU 46 N 2.85 3.43 0.01 -0.88 2.34 -1.13 -2.77 118.68 122.53 1wfo s LEU 46 Ca 0.16 -0.70 0.01 0.00 0.06 0.00 0.00 54.13 53.67 1wfo s LEU 46 Cb -0.13 -2.11 -0.01 0.00 -0.56 0.00 0.00 46.19 43.38 1wfo s LEU 46 CO -0.23 -0.63 -0.05 0.27 -1.06 0.00 0.00 176.35 174.66 1wfo s ILE 47 N -2.45 0.34 0.33 1.48 -0.00 -0.41 -1.92 121.20 118.58 1wfo s ILE 47 Ca 0.48 -0.49 0.03 0.00 -0.00 0.00 0.00 60.65 60.67 1wfo s ILE 47 Cb -0.04 -0.35 -0.04 0.00 -0.00 0.00 0.00 42.46 42.04 1wfo s ILE 47 CO 0.28 -0.11 0.14 -1.66 -0.00 0.00 0.00 174.94 173.59 1wfo s TRP 48 N -0.59 1.69 0.16 1.37 -2.14 0.49 -1.71 118.94 118.21 1wfo s TRP 48 Ca -0.04 -1.30 0.05 0.00 2.66 0.00 0.00 56.10 57.47 1wfo s TRP 48 Cb -0.05 -0.98 -0.05 0.00 -3.10 0.00 0.00 33.47 29.30 1wfo s TRP 48 CO -0.00 -0.40 -0.09 -0.65 -2.66 0.00 0.00 176.95 173.14 1wfo s GLN 49 N -3.80 1.11 0.52 3.25 -0.21 -0.90 -4.63 119.66 115.00 1wfo s GLN 49 Ca 0.33 -1.48 -0.19 0.00 0.02 0.00 0.00 55.36 54.04 1wfo s GLN 49 Cb 0.05 -0.66 -0.07 0.00 1.00 0.00 0.00 33.01 33.33 1wfo s GLN 49 CO 0.17 0.07 1.04 -1.25 -2.12 0.00 0.00 175.29 173.19 1wfo s PRO 50 N -3.75 3.66 -0.09 2.91 0.04 -1.26 -3.70 135.00 132.79 1wfo s PRO 50 Ca 0.18 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1wfo s PRO 50 Cb 0.03 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1wfo s PRO 50 CO 0.02 -0.54 1.24 -1.25 0.04 0.00 0.00 177.00 176.50 1wfo s PRO 51 N -3.55 4.30 0.52 0.56 0.04 -1.26 -4.73 135.00 130.88 1wfo s PRO 51 Ca 0.66 1.69 0.44 0.00 0.04 0.00 0.00 61.00 63.82 1wfo s PRO 51 Cb -0.16 -3.64 1.65 0.00 0.04 0.00 0.00 34.50 32.39 1wfo s PRO 51 CO 0.26 -0.56 1.59 0.00 0.04 0.00 0.00 177.00 178.33 1wfo h ALA 52 N 7.78 3.49 -3.12 8.56 0.00 -1.94 -1.86 119.26 132.17 1wfo h ALA 52 Ca -0.31 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.94 1wfo h ALA 52 Cb 1.14 0.18 -0.40 0.00 0.00 0.00 0.00 17.79 18.71 1wfo h ALA 52 CO 0.92 -2.08 -0.47 0.00 0.00 0.00 0.00 179.25 177.62 1wfo s ALA 53 N -5.01 3.75 0.15 0.00 0.00 -1.26 -4.89 121.76 114.51 1wfo s ALA 53 Ca -0.06 -3.63 -0.02 0.00 0.00 0.00 0.00 51.96 48.25 1wfo s ALA 53 Cb 0.28 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 1wfo s ALA 53 CO 0.87 -2.09 1.37 -1.00 0.00 0.00 0.00 175.76 174.91 1wfo h PRO 54 N 6.00 0.37 -7.08 0.00 0.13 -1.71 -3.26 132.00 126.45 1wfo h PRO 54 Ca 0.07 -0.36 -0.61 0.00 -0.87 0.00 0.00 66.00 64.23 1wfo h PRO 54 Cb 0.82 0.09 -0.22 0.00 0.13 0.00 0.00 31.00 31.83 1wfo h PRO 54 CO 0.74 1.02 -0.96 0.09 -0.23 0.00 0.00 178.00 178.66 1wfo n ASN 55 N -3.77 0.77 0.00 1.44 3.02 -1.26 -3.31 115.26 112.15 1wfo n ASN 55 Ca -0.05 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 1wfo n ASN 55 Cb 0.78 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 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 -2.47 1.72 3.39 7.41 0.00 -1.26 -3.01 105.19 110.96 1wfo n GLY 56 Ca -0.30 0.31 -0.51 0.00 0.00 0.00 0.00 46.02 45.52 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 0.06 -1.67 -0.61 -0.00 -1.26 -4.75 119.36 111.13 1wfo n ILE 57 Ca 0.00 -0.15 -0.50 0.00 -0.00 0.00 0.00 62.75 62.11 1wfo n ILE 57 Cb 0.00 -1.06 -0.05 0.00 -0.00 0.00 0.00 39.64 38.53 1wfo n ILE 57 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1wfo n ILE 58 N 7.06 0.23 -0.03 1.39 2.08 -1.26 -4.65 119.36 124.18 1wfo n ILE 58 Ca 0.51 -0.04 0.03 0.00 0.56 0.00 0.00 62.75 63.81 1wfo n ILE 58 Cb 0.11 -1.47 -0.15 0.00 -0.75 0.00 0.00 39.64 37.38 1wfo n ILE 58 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1wfo n LEU 59 N 4.59 0.15 0.00 1.39 4.77 0.38 -4.66 117.00 123.62 1wfo n LEU 59 Ca 0.20 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1wfo n LEU 59 Cb 0.25 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1wfo n LEU 59 CO 0.69 0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.93 1wfo n ALA 60 N -2.44 0.00 -2.41 -1.18 0.00 -1.13 -3.37 120.51 109.99 1wfo n ALA 60 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 1wfo n ALA 60 Cb 0.80 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.91 1.18 -0.02 0.00 1.51 0.44 0.82 117.35 118.37 1wfo s TYR 61 Ca 0.00 -1.35 0.01 0.00 -1.01 0.00 0.00 57.07 54.72 1wfo s TYR 61 Cb 0.00 -0.45 0.01 0.00 -0.11 0.00 0.00 41.96 41.41 1wfo s TYR 61 CO 0.00 -0.78 -0.02 -1.14 -1.11 0.00 0.00 175.55 172.50 1wfo s GLN 62 N -3.89 0.32 -0.13 -0.62 0.74 0.27 0.17 119.66 116.51 1wfo s GLN 62 Ca 0.36 -0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.74 1wfo s GLN 62 Cb 0.04 -0.39 0.02 0.00 1.10 0.00 0.00 33.01 33.79 1wfo s GLN 62 CO 0.16 -0.02 -0.12 0.42 -0.55 0.00 0.00 175.29 175.18 1wfo s ILE 63 N 0.41 1.36 -0.17 -2.34 1.01 -0.21 -0.47 121.20 120.81 1wfo s ILE 63 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1wfo s ILE 63 Cb -0.07 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1wfo s ILE 63 CO -0.01 0.42 -0.16 0.42 0.00 0.00 0.00 174.94 175.62 1wfo s THR 64 N 1.44 2.55 -0.10 2.92 -4.23 -0.50 -2.34 115.64 115.39 1wfo s THR 64 Ca 0.02 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1wfo s THR 64 Cb -0.13 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.63 1wfo s THR 64 CO -0.08 0.51 -0.18 -1.38 -0.54 0.00 0.00 174.62 172.96 1wfo s HIS 65 N 1.00 2.08 -0.27 3.99 -3.43 -1.25 -0.66 115.29 116.75 1wfo s HIS 65 Ca -0.02 -0.89 -0.23 0.00 -0.80 0.00 0.00 55.06 53.12 1wfo s HIS 65 Cb -0.15 -1.45 0.08 0.00 -1.43 0.00 0.00 32.58 29.63 1wfo s HIS 65 CO -0.03 -0.41 0.77 -0.98 -2.00 0.00 0.00 174.74 172.09 1wfo s ARG 66 N 0.65 0.75 -0.21 -0.38 1.70 -1.19 -4.19 118.95 116.08 1wfo s ARG 66 Ca -0.13 0.97 -0.39 0.00 -0.47 0.00 0.00 55.73 55.70 1wfo s ARG 66 Cb -0.16 0.32 -0.18 0.00 -0.57 0.00 0.00 34.95 34.36 1wfo s ARG 66 CO 0.04 -0.10 1.20 1.28 -1.08 0.00 0.00 175.30 176.64 1wfo n LEU 67 N 2.96 0.51 0.08 -1.89 7.99 -1.26 -2.21 117.00 123.19 1wfo n LEU 67 Ca -0.15 1.07 0.07 0.00 -0.01 0.00 0.00 56.01 56.99 1wfo n LEU 67 Cb 0.56 -0.82 0.34 0.00 -0.11 0.00 0.00 43.42 43.39 1wfo n LEU 67 CO 0.02 -1.29 0.71 -3.20 -1.51 0.00 0.00 177.39 172.12 1wfo n ASN 68 N 2.44 0.32 -3.32 -1.43 5.15 0.50 -3.95 115.26 114.97 1wfo n ASN 68 Ca 0.23 0.63 -0.11 0.00 -0.60 0.00 0.00 54.58 54.73 1wfo n ASN 68 Cb 0.01 -0.68 -0.06 0.00 -0.53 0.00 0.00 39.78 38.53 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 -3.26 -0.57 -0.05 -0.44 -4.23 -1.26 -5.04 115.64 100.78 1wfo s THR 69 Ca 0.01 -0.48 -0.30 0.00 -1.18 0.00 0.00 61.69 59.73 1wfo s THR 69 Cb 0.05 -0.78 0.10 0.00 1.34 0.00 0.00 72.50 73.21 1wfo s THR 69 CO 0.17 -0.36 1.33 0.28 -0.54 0.00 0.00 174.62 175.51 1wfo s THR 70 N 2.12 0.00 -0.16 3.99 -1.32 -1.25 -5.01 115.64 114.00 1wfo s THR 70 Ca 0.12 -0.10 -0.01 0.00 -1.21 0.00 0.00 61.69 60.50 1wfo s THR 70 Cb -0.12 -2.80 0.04 0.00 -1.51 0.00 0.00 72.50 68.10 1wfo s THR 70 CO -0.20 0.00 -0.04 0.42 -2.21 0.00 0.00 174.62 172.60 1wfo s THR 71 N -2.04 0.95 0.28 5.08 -4.23 -1.26 -5.02 115.64 109.40 1wfo s THR 71 Ca 0.28 -0.53 0.03 0.00 -1.18 0.00 0.00 61.69 60.29 1wfo s THR 71 Cb 0.01 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 1wfo s THR 71 CO -0.02 0.11 0.16 0.00 -0.54 0.00 0.00 174.62 174.32 1wfo s ALA 72 N 1.70 1.76 0.06 3.99 0.00 -1.26 -5.06 121.76 122.95 1wfo s ALA 72 Ca 0.01 -1.79 -0.22 0.00 0.00 0.00 0.00 51.96 49.96 1wfo s ALA 72 Cb -0.15 1.22 -0.14 0.00 0.00 0.00 0.00 23.12 24.06 1wfo s ALA 72 CO -0.07 -0.53 1.54 -0.97 0.00 0.00 0.00 175.76 175.73 1wfo h ASN 73 N 2.31 0.15 -5.28 0.00 -1.24 -2.07 -3.47 115.58 105.97 1wfo h ASN 73 Ca -0.34 -0.23 0.19 0.00 0.71 0.00 0.00 56.30 56.63 1wfo h ASN 73 Cb 1.25 -0.04 -0.10 0.00 0.73 0.00 0.00 38.32 40.16 1wfo h ASN 73 CO 0.52 0.34 0.54 -0.89 -1.29 0.00 0.00 177.43 176.65 1wfo s THR 74 N -5.28 0.00 -0.13 -3.57 2.01 -1.26 -5.15 115.64 102.26 1wfo s THR 74 Ca -0.14 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.20 1wfo s THR 74 Cb 0.05 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1wfo s THR 74 CO 0.69 0.00 0.38 0.00 -0.69 0.00 0.00 174.62 175.00 1wfo s ALA 75 N -3.13 3.54 -0.59 7.40 0.00 -1.26 -4.99 121.76 122.73 1wfo s ALA 75 Ca 0.12 -0.32 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 1wfo s ALA 75 Cb -0.00 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1wfo s ALA 75 CO -0.00 0.07 2.14 0.99 0.00 0.00 0.00 175.76 178.96 1wfo s THR 76 N 0.45 3.19 -0.03 0.00 2.01 -1.26 -4.93 115.64 115.07 1wfo s THR 76 Ca 0.21 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.05 1wfo s THR 76 Cb -0.14 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1wfo s THR 76 CO 0.07 -0.46 0.67 -0.69 -0.69 0.00 0.00 174.62 173.52 1wfo s VAL 77 N 10.93 4.96 -0.04 3.82 1.01 -1.26 -4.14 120.40 135.68 1wfo s VAL 77 Ca 0.82 1.39 0.04 0.00 0.00 0.00 0.00 61.98 64.23 1wfo s VAL 77 Cb -0.14 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 1wfo s VAL 77 CO 0.20 0.32 -0.17 -0.70 0.00 0.00 0.00 175.10 174.76 1wfo s GLU 78 N 0.35 1.73 -0.17 2.72 2.12 -0.99 -5.00 118.70 119.46 1wfo s GLU 78 Ca 0.35 -0.61 -0.14 0.00 0.36 0.00 0.00 54.97 54.93 1wfo s GLU 78 Cb -0.18 -1.52 -0.05 0.00 0.26 0.00 0.00 34.13 32.64 1wfo s GLU 78 CO 0.18 0.26 0.31 0.08 -0.54 0.00 0.00 175.26 175.55 1wfo s VAL 79 N -0.01 5.29 0.45 3.70 1.01 -1.26 -1.04 120.40 128.53 1wfo s VAL 79 Ca -0.03 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.59 1wfo s VAL 79 Cb -0.11 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1wfo s VAL 79 CO 0.02 0.36 0.38 -0.76 0.00 0.00 0.00 175.10 175.10 1wfo s LEU 80 N 0.66 3.19 0.82 3.92 1.43 0.44 -4.91 118.68 124.22 1wfo s LEU 80 Ca 0.17 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 1wfo s LEU 80 Cb -0.13 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.41 1wfo s LEU 80 CO 0.05 -0.78 1.15 0.00 0.23 0.00 0.00 176.35 177.00 1wfo s ALA 81 N -2.57 2.47 -1.24 4.21 0.00 -1.26 -0.42 121.76 122.95 1wfo s ALA 81 Ca 0.45 -0.55 0.22 0.00 0.00 0.00 0.00 51.96 52.08 1wfo s ALA 81 Cb -0.02 -2.99 1.05 0.00 0.00 0.00 0.00 23.12 21.15 1wfo s ALA 81 CO 0.26 -1.74 1.72 -0.35 0.00 0.00 0.00 175.76 175.66 1wfo n PRO 82 N -3.38 0.18 -1.14 0.00 -0.04 -1.22 -2.65 135.00 126.76 1wfo n PRO 82 Ca 0.07 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1wfo n PRO 82 Cb 0.60 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.38 3.48 -4.49 3.54 2.88 -1.26 -4.84 113.62 111.54 1wfo n SER 83 Ca 0.08 -3.80 -0.38 0.00 -1.33 0.00 0.00 58.87 53.44 1wfo n SER 83 Cb 0.21 -0.59 -0.12 0.00 -0.75 0.00 0.00 64.21 62.97 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 -3.40 3.32 -0.23 -1.46 0.00 -1.08 -4.92 121.76 113.99 1wfo s ALA 84 Ca 0.47 -1.20 0.15 0.00 0.00 0.00 0.00 51.96 51.38 1wfo s ALA 84 Cb 0.41 -2.31 -0.21 0.00 0.00 0.00 0.00 23.12 21.02 1wfo s ALA 84 CO -0.00 -0.64 0.42 -2.13 0.00 0.00 0.00 175.76 173.40 1wfo n ARG 85 N 4.99 1.04 -3.84 0.00 0.63 -1.26 -4.91 116.66 113.31 1wfo n ARG 85 Ca -0.15 -0.09 -0.10 0.00 -0.92 0.00 0.00 57.85 56.60 1wfo n ARG 85 Cb 0.51 -1.29 -0.08 0.00 0.45 0.00 0.00 32.46 32.05 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1wfo s GLN 86 N -2.80 0.79 -0.06 -0.14 -2.07 -1.26 0.18 119.66 114.30 1wfo s GLN 86 Ca -0.02 -0.81 -0.04 0.00 -1.82 0.00 0.00 55.36 52.67 1wfo s GLN 86 Cb 0.10 0.33 0.03 0.00 -1.09 0.00 0.00 33.01 32.37 1wfo s GLN 86 CO 0.60 -0.25 0.15 -0.47 -1.32 0.00 0.00 175.29 174.01 1wfo s TYR 87 N -3.34 -0.17 -0.31 9.60 5.04 -0.81 -5.00 117.35 122.37 1wfo s TYR 87 Ca 0.01 0.45 -0.18 0.00 -2.44 0.00 0.00 57.07 54.91 1wfo s TYR 87 Cb 0.02 -0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.30 1wfo s TYR 87 CO -0.08 -0.13 0.52 0.99 -1.34 0.00 0.00 175.55 175.51 1wfo s THR 88 N 0.70 5.03 -0.36 4.34 2.01 -1.26 -2.83 115.64 123.27 1wfo s THR 88 Ca -0.05 0.58 -0.14 0.00 0.31 0.00 0.00 61.69 62.39 1wfo s THR 88 Cb -0.07 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1wfo s THR 88 CO -0.03 -0.09 0.28 0.00 -0.69 0.00 0.00 174.62 174.08 1wfo s ALA 89 N 2.38 3.50 0.24 7.40 0.00 0.10 -4.95 121.76 130.43 1wfo s ALA 89 Ca 0.20 -1.42 0.09 0.00 0.00 0.00 0.00 51.96 50.83 1wfo s ALA 89 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1wfo s ALA 89 CO 0.12 -1.10 -0.02 0.95 0.00 0.00 0.00 175.76 175.70 1wfo s THR 90 N 1.77 3.42 -0.43 0.00 -4.23 -1.26 0.75 115.64 115.66 1wfo s THR 90 Ca 0.07 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 1wfo s THR 90 Cb -0.18 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 1wfo s THR 90 CO 0.11 -0.29 0.38 0.61 -0.54 0.00 0.00 174.62 174.89 1wfo n GLY 91 N -0.60 -0.21 3.41 3.99 0.00 0.34 -4.92 105.19 107.20 1wfo n GLY 91 Ca -0.08 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.74 2.55 -0.17 0.99 1.43 -0.94 -4.99 118.68 113.81 1wfo s LEU 92 Ca 0.15 -1.00 -0.21 0.00 -1.03 0.00 0.00 54.13 52.05 1wfo s LEU 92 Cb -0.02 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 1wfo s LEU 92 CO 0.33 -0.02 0.61 -0.75 0.23 0.00 0.00 176.35 176.74 1wfo s LYS 93 N -3.41 4.25 0.70 1.70 2.20 -1.26 -3.53 119.74 120.38 1wfo s LYS 93 Ca 0.26 0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 56.36 1wfo s LYS 93 Cb -0.04 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1wfo s LYS 93 CO 0.11 -0.15 1.06 -1.25 -0.36 0.00 0.00 175.35 174.77 1wfo s PRO 94 N 1.60 2.94 -1.01 4.03 0.04 -1.26 -3.95 135.00 137.39 1wfo s PRO 94 Ca 0.29 0.96 -0.06 0.00 0.04 0.00 0.00 61.00 62.23 1wfo s PRO 94 Cb -0.16 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1wfo s PRO 94 CO 0.11 -1.10 0.87 0.39 0.04 0.00 0.00 177.00 177.32 1wfo n GLU 95 N -3.13 -5.88 -2.66 4.56 -0.58 0.43 -4.95 120.64 108.42 1wfo n GLU 95 Ca 0.08 0.63 -0.07 0.00 -0.42 0.00 0.00 57.16 57.37 1wfo n GLU 95 Cb 0.54 -5.04 -0.01 0.00 -0.57 0.00 0.00 31.44 26.35 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wfo n SER 96 N -1.98 -0.61 -4.00 1.62 7.64 -1.25 -4.98 113.62 110.05 1wfo n SER 96 Ca -0.02 -1.85 -0.27 0.00 1.01 0.00 0.00 58.87 57.74 1wfo n SER 96 Cb 0.56 1.14 -0.17 0.00 -1.01 0.00 0.00 64.21 64.72 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 -2.60 1.23 -0.15 0.44 1.01 -1.26 -2.10 120.40 116.96 1wfo s VAL 97 Ca 0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1wfo s VAL 97 Cb -0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1wfo s VAL 97 CO 0.09 0.39 -0.08 -0.31 0.00 0.00 0.00 175.10 175.20 1wfo s TYR 98 N 1.11 2.93 -0.32 5.22 1.51 0.49 0.19 117.35 128.47 1wfo s TYR 98 Ca -0.06 -0.48 -0.18 0.00 -1.01 0.00 0.00 57.07 55.34 1wfo s TYR 98 Cb -0.14 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1wfo s TYR 98 CO -0.02 -0.14 0.50 -1.17 -1.11 0.00 0.00 175.55 173.61 1wfo s LEU 99 N 0.43 4.23 -0.37 -1.29 1.98 -0.94 -0.16 118.68 122.55 1wfo s LEU 99 Ca -0.06 0.16 -0.14 0.00 -2.89 0.00 0.00 54.13 51.20 1wfo s LEU 99 Cb -0.15 -2.60 0.00 0.00 0.66 0.00 0.00 46.19 44.10 1wfo s LEU 99 CO 0.04 -0.40 0.28 -0.36 -1.89 0.00 0.00 176.35 174.02 1wfo s PHE 100 N 2.35 3.23 -0.37 5.38 0.40 0.54 -3.18 117.98 126.34 1wfo s PHE 100 Ca 0.19 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 56.04 1wfo s PHE 100 Cb -0.15 -2.55 0.02 0.00 0.51 0.00 0.00 43.02 40.84 1wfo s PHE 100 CO 0.12 -0.47 0.21 0.50 0.70 0.00 0.00 175.22 176.27 1wfo s ARG 101 N 1.73 2.95 -0.09 0.44 3.52 0.17 0.32 118.95 127.99 1wfo s ARG 101 Ca 0.06 -1.00 -0.10 0.00 -0.13 0.00 0.00 55.73 54.56 1wfo s ARG 101 Cb -0.18 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.43 1wfo s ARG 101 CO 0.10 -0.65 0.24 0.42 -0.81 0.00 0.00 175.30 174.61 1wfo s ILE 102 N 1.58 5.33 0.07 4.11 1.01 0.83 -1.41 121.20 132.73 1wfo s ILE 102 Ca 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 60.65 61.01 1wfo s ILE 102 Cb -0.19 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1wfo s ILE 102 CO 0.07 0.58 0.25 -0.89 0.00 0.00 0.00 174.94 174.95 1wfo s THR 103 N -0.86 0.11 0.27 2.92 2.01 0.39 0.06 115.64 120.53 1wfo s THR 103 Ca 0.18 -0.89 0.09 0.00 0.31 0.00 0.00 61.69 61.37 1wfo s THR 103 Cb -0.14 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1wfo s THR 103 CO 0.07 -0.49 0.07 0.00 -0.69 0.00 0.00 174.62 173.58 1wfo s ALA 104 N -3.12 3.33 -0.14 7.40 0.00 -1.26 0.94 121.76 128.89 1wfo s ALA 104 Ca -0.01 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.38 1wfo s ALA 104 Cb 0.01 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1wfo s ALA 104 CO -0.07 0.25 -0.16 -1.14 0.00 0.00 0.00 175.76 174.64 1wfo s GLN 105 N -3.74 2.45 0.00 0.00 0.74 0.24 -3.53 119.66 115.82 1wfo s GLN 105 Ca 0.32 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 55.11 1wfo s GLN 105 Cb -0.07 -2.16 0.00 0.00 1.10 0.00 0.00 33.01 31.88 1wfo s GLN 105 CO 0.22 -0.17 0.00 0.25 -0.55 0.00 0.00 175.29 175.03 1wfo n THR 106 N 4.56 0.00 0.55 -0.34 -2.24 0.69 0.14 114.28 117.65 1wfo n THR 106 Ca -0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1wfo n THR 106 Cb 0.50 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 69.19 1wfo n THR 106 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wfo n ARG 107 N 0.00 0.17 -0.01 -0.78 1.85 -1.26 -2.79 116.66 113.84 1wfo n ARG 107 Ca 0.00 0.28 -0.17 0.00 -1.00 0.00 0.00 57.85 56.96 1wfo n ARG 107 Cb 0.00 -1.76 -0.14 0.00 -1.05 0.00 0.00 32.46 29.51 1wfo n ARG 107 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1wfo n LYS 108 N -2.06 0.71 0.00 2.89 4.76 -1.26 -5.09 118.16 118.11 1wfo n LYS 108 Ca 0.04 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 1wfo n LYS 108 Cb 0.30 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 1wfo n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfo n GLY 109 N 1.88 0.13 3.14 0.72 0.00 -1.12 -4.97 105.19 104.96 1wfo n GLY 109 Ca -0.29 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 3.01 0.00 1.61 0.52 -1.26 -0.22 118.94 122.59 1wfo s TRP 110 Ca 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 56.10 54.33 1wfo s TRP 110 Cb 0.00 -1.97 0.00 0.00 -1.15 0.00 0.00 33.47 30.35 1wfo s TRP 110 CO 0.00 -0.80 0.00 0.41 0.02 0.00 0.00 176.95 176.58 1wfo n GLY 111 N 4.59 -0.22 3.31 0.98 0.00 -1.23 -4.96 105.19 107.66 1wfo n GLY 111 Ca -0.18 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1wfo n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfo n GLU 112 N 0.00 -1.69 -3.96 1.61 1.02 -0.86 -4.79 120.64 111.97 1wfo n GLU 112 Ca 0.00 -0.47 -0.16 0.00 -0.02 0.00 0.00 57.16 56.51 1wfo n GLU 112 Cb 0.00 -1.78 -0.15 0.00 -0.02 0.00 0.00 31.44 29.49 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wfo s ALA 113 N -2.27 0.26 -0.29 0.62 0.00 -1.26 -4.34 121.76 114.49 1wfo s ALA 113 Ca 0.58 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 1wfo s ALA 113 Cb -0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1wfo s ALA 113 CO 0.66 -0.02 0.43 0.00 0.00 0.00 0.00 175.76 176.83 1wfo s ALA 114 N 0.56 3.55 -0.18 0.00 0.00 0.11 -4.82 121.76 120.98 1wfo s ALA 114 Ca -0.05 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 1wfo s ALA 114 Cb -0.08 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1wfo s ALA 114 CO -0.01 -0.81 0.30 -1.21 0.00 0.00 0.00 175.76 174.03 1wfo s GLU 115 N 2.17 4.22 -0.04 0.00 2.02 -1.26 -0.12 118.70 125.69 1wfo s GLU 115 Ca 0.17 0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.23 1wfo s GLU 115 Cb -0.16 -3.47 0.03 0.00 0.10 0.00 0.00 34.13 30.63 1wfo s GLU 115 CO 0.11 0.15 0.01 0.00 0.02 0.00 0.00 175.26 175.54 1wfo s ALA 116 N 0.75 0.40 0.12 5.21 0.00 0.15 -4.94 121.76 123.46 1wfo s ALA 116 Ca 0.16 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1wfo s ALA 116 Cb -0.13 -0.48 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1wfo s ALA 116 CO 0.05 -0.24 0.47 -0.51 0.00 0.00 0.00 175.76 175.52 1wfo s LEU 117 N 1.46 4.32 -0.17 0.00 1.43 -1.26 0.20 118.68 124.66 1wfo s LEU 117 Ca -0.04 0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 53.87 1wfo s LEU 117 Cb -0.13 -3.18 0.07 0.00 0.03 0.00 0.00 46.19 42.98 1wfo s LEU 117 CO -0.03 0.11 0.39 0.54 0.23 0.00 0.00 176.35 177.60 1wfo s VAL 118 N -1.48 -0.26 0.33 -1.59 0.11 0.77 -4.93 120.40 113.35 1wfo s VAL 118 Ca 0.37 0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 59.43 1wfo s VAL 118 Cb -0.14 -0.60 -0.08 0.00 -1.53 0.00 0.00 36.38 34.03 1wfo s VAL 118 CO 0.19 0.06 0.71 -0.69 -3.33 0.00 0.00 175.10 172.04 1wfo s VAL 119 N 1.86 4.76 -0.41 2.04 1.01 -1.26 -0.38 120.40 128.03 1wfo s VAL 119 Ca -0.06 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 1wfo s VAL 119 Cb -0.10 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1wfo s VAL 119 CO -0.12 -0.28 0.34 0.42 0.00 0.00 0.00 175.10 175.46 1wfo s THR 120 N -2.09 5.20 -0.06 3.92 -4.23 -0.89 -4.80 115.64 112.69 1wfo s THR 120 Ca 0.52 -0.53 -0.32 0.00 -1.18 0.00 0.00 61.69 60.19 1wfo s THR 120 Cb -0.10 -3.96 0.13 0.00 1.34 0.00 0.00 72.50 69.91 1wfo s THR 120 CO 0.23 -0.33 1.38 0.28 -0.54 0.00 0.00 174.62 175.63 1wfo s THR 121 N 1.84 0.00 -0.23 3.99 -1.32 -1.16 -0.43 115.64 118.33 1wfo s THR 121 Ca 0.07 -0.09 -0.14 0.00 -1.21 0.00 0.00 61.69 60.32 1wfo s THR 121 Cb -0.18 -2.12 -0.17 0.00 -1.51 0.00 0.00 72.50 68.52 1wfo s THR 121 CO 0.11 0.00 -0.02 -0.62 -2.21 0.00 0.00 174.62 171.89 1wfo n GLU 122 N -0.55 0.61 0.00 7.08 1.02 -1.26 -4.30 120.64 123.24 1wfo n GLU 122 Ca -0.08 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1wfo n GLU 122 Cb 0.63 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1wfo n GLU 122 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1wfo n LYS 123 N -4.12 0.00 0.13 3.49 2.85 -1.26 -4.92 118.16 114.33 1wfo n LYS 123 Ca -0.42 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.84 1wfo n LYS 123 Cb 0.84 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 1wfo n LYS 123 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wfo n ARG 124 N 0.00 0.00 -4.55 -1.58 5.12 -1.26 -5.16 116.66 109.23 1wfo n ARG 124 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 1wfo n ARG 124 Cb 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.20 1wfo n ARG 124 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wfo s SER 125 N -1.55 3.17 -0.34 0.55 0.01 -1.26 -5.13 113.70 109.15 1wfo s SER 125 Ca 0.00 -1.41 -0.00 0.00 1.31 0.00 0.00 55.95 55.85 1wfo s SER 125 Cb 0.00 -0.15 0.11 0.00 0.21 0.00 0.00 66.02 66.19 1wfo s SER 125 CO 0.00 -0.57 0.14 -0.83 0.41 0.00 0.00 173.24 172.39 1wfo s GLY 126 N -3.62 1.18 1.07 3.44 0.00 -1.26 -5.13 107.32 103.00 1wfo s GLY 126 Ca 0.33 -1.89 -0.18 0.00 0.00 0.00 0.00 44.72 42.98 1wfo s GLY 126 CO 0.16 1.65 1.17 -1.55 0.00 0.00 0.00 173.10 174.53 1wfo n PRO 127 N 4.48 -2.16 -4.25 2.90 -0.04 -1.26 -5.09 135.00 129.58 1wfo n PRO 127 Ca 0.02 -1.84 -0.17 0.00 -0.04 0.00 0.00 63.50 61.46 1wfo n PRO 127 Cb 0.40 -1.45 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 1wfo n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfo s SER 128 N -5.04 0.83 0.14 3.54 0.15 -1.26 -5.15 113.70 106.91 1wfo s SER 128 Ca 0.71 -0.13 0.04 0.00 0.70 0.00 0.00 55.95 57.27 1wfo s SER 128 Cb -0.04 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 1wfo s SER 128 CO 0.52 0.08 0.17 -0.55 1.20 0.00 0.00 173.24 174.66 1wfo s SER 129 N -0.08 5.80 0.00 5.45 0.15 -1.26 -5.37 113.70 118.39 1wfo s SER 129 Ca 0.02 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1wfo s SER 129 Cb -0.04 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1wfo s SER 129 CO -0.00 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.14