#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 -6.41 0.00 1.61 3.41 -1.26 -5.06 113.62 105.92 1wfo n SER 2 Ca 0.00 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1wfo n SER 2 Cb 0.00 -3.85 0.00 0.00 -0.26 0.00 0.00 64.21 60.10 1wfo n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wfo n SER 3 N -4.26 0.00 -3.63 4.04 2.88 -1.26 -5.19 113.62 106.19 1wfo n SER 3 Ca -0.03 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.47 1wfo n SER 3 Cb 0.64 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.09 1wfo n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfo s GLY 4 N 0.00 -0.09 0.00 0.46 0.00 -1.26 -5.19 107.32 101.25 1wfo s GLY 4 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 44.72 44.29 1wfo s GLY 4 CO 0.00 0.30 1.11 -0.45 0.00 0.00 0.00 173.10 174.06 1wfo s SER 5 N -3.02 -0.16 0.26 1.64 0.15 -1.26 -5.19 113.70 106.12 1wfo s SER 5 Ca 0.14 -0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.43 1wfo s SER 5 Cb -0.03 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 1wfo s SER 5 CO 0.05 -0.51 0.63 -0.44 1.20 0.00 0.00 173.24 174.17 1wfo s SER 6 N -2.74 -0.23 0.00 5.45 0.01 -1.26 -5.13 113.70 109.80 1wfo s SER 6 Ca 0.11 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1wfo s SER 6 Cb 0.01 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.91 1wfo s SER 6 CO -0.03 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 172.98 1wfo n GLY 7 N -0.42 0.65 3.57 3.44 0.00 -1.26 -5.15 105.19 106.01 1wfo n GLY 7 Ca -0.05 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.67 0.85 0.53 1.61 3.03 -1.26 -5.13 118.95 115.91 1wfo s ARG 8 Ca 0.00 0.41 0.00 0.00 2.03 0.00 0.00 55.73 58.17 1wfo s ARG 8 Cb 0.00 0.40 0.00 0.00 -1.03 0.00 0.00 34.95 34.32 1wfo s ARG 8 CO 0.00 -0.22 0.00 -0.89 -1.13 0.00 0.00 175.30 173.06 1wfo n ILE 9 N 1.35 -3.34 0.11 4.99 2.08 -1.26 -5.06 119.36 118.23 1wfo n ILE 9 Ca -0.15 1.60 0.00 0.00 0.56 0.00 0.00 62.75 64.76 1wfo n ILE 9 Cb 0.57 -2.49 0.00 0.00 -0.75 0.00 0.00 39.64 36.97 1wfo n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1wfo n GLY 10 N -2.09 -1.80 1.45 7.39 0.00 -1.26 -5.17 105.19 103.71 1wfo n GLY 10 Ca 0.00 0.40 0.18 0.00 0.00 0.00 0.00 46.02 46.60 1wfo n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfo n ASP 11 N -2.95 -8.24 0.00 1.61 9.92 -1.26 -5.06 116.55 110.57 1wfo n ASP 11 Ca 0.00 1.30 0.00 0.00 -0.53 0.00 0.00 54.79 55.56 1wfo n ASP 11 Cb 0.00 -4.89 0.00 0.00 -0.64 0.00 0.00 41.12 35.59 1wfo n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfo n GLY 12 N -4.35 1.31 3.27 0.44 0.00 -1.26 -5.17 105.19 99.43 1wfo n GLY 12 Ca -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.87 1wfo n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfo s SER 13 N 0.00 -1.16 0.19 1.61 0.15 -1.26 -5.03 113.70 108.21 1wfo s SER 13 Ca 0.00 1.02 0.05 0.00 0.70 0.00 0.00 55.95 57.72 1wfo s SER 13 Cb 0.00 2.10 0.08 0.00 -1.71 0.00 0.00 66.02 66.49 1wfo s SER 13 CO 0.00 -0.25 1.44 1.55 1.20 0.00 0.00 173.24 177.18 1wfo h PRO 14 N 8.02 0.15 -3.31 5.44 0.13 -2.08 -3.49 132.00 136.86 1wfo h PRO 14 Ca -0.21 -0.15 0.36 0.00 -0.87 0.00 0.00 66.00 65.14 1wfo h PRO 14 Cb 1.14 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1wfo h PRO 14 CO 0.21 0.87 -0.90 0.45 -0.23 0.00 0.00 178.00 178.40 1wfo n SER 15 N -3.69 -8.52 -3.66 1.44 2.88 -1.26 -5.01 113.62 95.79 1wfo n SER 15 Ca -0.03 1.02 -0.15 0.00 -1.33 0.00 0.00 58.87 58.39 1wfo n SER 15 Cb 0.75 -4.60 -0.07 0.00 -0.75 0.00 0.00 64.21 59.54 1wfo n SER 15 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1wfo s HIS 16 N -3.26 -0.35 0.51 0.66 -3.43 -1.26 -5.16 115.29 103.00 1wfo s HIS 16 Ca 0.00 0.52 -0.19 0.00 -0.80 0.00 0.00 55.06 54.59 1wfo s HIS 16 Cb 0.00 0.23 -0.07 0.00 -1.43 0.00 0.00 32.58 31.30 1wfo s HIS 16 CO 0.00 -0.51 1.04 -1.25 -2.00 0.00 0.00 174.74 172.02 1wfo s PRO 17 N -1.59 3.70 0.00 -0.38 0.04 -1.26 -5.00 135.00 130.52 1wfo s PRO 17 Ca -0.11 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 1wfo s PRO 17 Cb -0.03 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1wfo s PRO 17 CO 0.04 -0.51 1.19 -1.25 0.04 0.00 0.00 177.00 176.52 1wfo s PRO 18 N -3.45 4.40 0.19 0.56 0.04 -1.26 -5.01 135.00 130.48 1wfo s PRO 18 Ca 0.66 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 63.14 1wfo s PRO 18 Cb -0.16 -3.46 -0.08 0.00 0.04 0.00 0.00 34.50 30.84 1wfo s PRO 18 CO 0.24 -0.34 0.83 0.42 0.04 0.00 0.00 177.00 178.19 1wfo s ILE 19 N 1.62 4.27 -0.40 0.56 -1.09 -1.26 -5.00 121.20 119.90 1wfo s ILE 19 Ca 0.57 1.82 0.09 0.00 -2.23 0.00 0.00 60.65 60.90 1wfo s ILE 19 Cb -0.27 -4.20 0.28 0.00 -1.58 0.00 0.00 42.46 36.70 1wfo s ILE 19 CO 0.26 0.51 0.68 -0.11 -1.23 0.00 0.00 174.94 175.05 1wfo n LEU 20 N 1.54 -0.24 -3.37 2.97 7.94 -1.26 -4.88 117.00 119.71 1wfo n LEU 20 Ca -0.04 -4.53 -0.26 0.00 -1.11 0.00 0.00 56.01 50.07 1wfo n LEU 20 Cb 0.48 0.71 -0.10 0.00 0.53 0.00 0.00 43.42 45.05 1wfo n LEU 20 CO 0.47 2.13 -0.30 -1.61 -1.11 0.00 0.00 177.39 176.97 1wfo s GLU 21 N -1.20 0.87 -0.30 1.96 2.02 -1.26 -5.04 118.70 115.75 1wfo s GLU 21 Ca 0.35 -1.96 -0.17 0.00 0.02 0.00 0.00 54.97 53.21 1wfo s GLU 21 Cb 0.24 -1.33 0.18 0.00 0.10 0.00 0.00 34.13 33.32 1wfo s GLU 21 CO -0.11 -1.37 1.21 1.03 0.02 0.00 0.00 175.26 176.04 1wfo s ARG 22 N 0.22 0.02 0.10 1.61 1.81 -1.26 -4.97 118.95 116.48 1wfo s ARG 22 Ca 0.31 0.03 -0.18 0.00 -1.72 0.00 0.00 55.73 54.17 1wfo s ARG 22 Cb 0.01 0.01 -0.06 0.00 -0.45 0.00 0.00 34.95 34.46 1wfo s ARG 22 CO -0.17 -0.03 1.57 1.15 -0.68 0.00 0.00 175.30 177.15 1wfo h THR 23 N 4.53 1.23 -3.44 0.02 2.02 -2.02 -3.41 112.91 111.84 1wfo h THR 23 Ca -0.11 -0.78 -0.59 0.00 0.77 0.00 0.00 66.41 65.70 1wfo h THR 23 Cb 1.17 1.20 -0.10 0.00 -1.74 0.00 0.00 68.15 68.69 1wfo h THR 23 CO -0.21 0.25 0.01 -0.76 0.37 0.00 0.00 175.52 175.18 1wfo s LEU 24 N -9.60 4.16 -0.03 2.58 1.43 -1.26 -5.04 118.68 110.92 1wfo s LEU 24 Ca -0.13 0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 53.46 1wfo s LEU 24 Cb 0.08 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1wfo s LEU 24 CO 0.74 -0.20 0.77 -1.81 0.23 0.00 0.00 176.35 176.09 1wfo s ASP 25 N 1.13 7.11 -0.14 2.29 1.01 -1.26 -5.04 116.67 121.77 1wfo s ASP 25 Ca 0.26 1.33 -0.20 0.00 0.71 0.00 0.00 52.55 54.65 1wfo s ASP 25 Cb -0.16 -2.45 0.05 0.00 1.01 0.00 0.00 42.92 41.37 1wfo s ASP 25 CO 0.10 -0.12 0.51 -1.81 0.21 0.00 0.00 175.17 174.06 1wfo s ASP 26 N 0.67 -0.50 0.96 0.27 1.11 -1.25 -5.09 116.67 112.84 1wfo s ASP 26 Ca 0.41 0.81 -0.17 0.00 0.18 0.00 0.00 52.55 53.78 1wfo s ASP 26 Cb -0.19 0.83 -0.13 0.00 1.07 0.00 0.00 42.92 44.50 1wfo s ASP 26 CO 0.21 -0.31 -0.65 1.33 1.18 0.00 0.00 175.17 176.93 1wfo n VAL 27 N 2.17 0.02 -1.56 -1.27 0.24 -1.26 -4.66 118.33 112.01 1wfo n VAL 27 Ca -0.16 -0.47 -0.30 0.00 -2.04 0.00 0.00 64.34 61.36 1wfo n VAL 27 Cb 0.56 -0.06 0.09 0.00 -1.47 0.00 0.00 33.84 32.96 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 -2.07 2.18 0.00 7.34 0.04 -1.24 -4.88 135.00 136.38 1wfo s PRO 28 Ca 0.43 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1wfo s PRO 28 Cb -0.21 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1wfo s PRO 28 CO 0.80 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.69 1wfo n GLY 29 N -2.09 -0.98 3.75 0.56 0.00 -1.24 -2.08 105.19 103.10 1wfo n GLY 29 Ca 0.07 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.48 4.63 -0.45 1.61 0.04 -1.26 -4.08 135.00 133.00 1wfo s PRO 30 Ca 0.00 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1wfo s PRO 30 Cb 0.00 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1wfo s PRO 30 CO 0.00 0.16 1.44 -1.25 0.04 0.00 0.00 177.00 177.39 1wfo s PRO 31 N -0.96 3.47 0.48 0.56 0.04 -1.26 -4.71 135.00 132.62 1wfo s PRO 31 Ca 0.47 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1wfo s PRO 31 Cb -0.31 -4.07 -0.02 0.00 0.04 0.00 0.00 34.50 30.14 1wfo s PRO 31 CO 0.38 -1.71 0.76 0.00 0.04 0.00 0.00 177.00 176.47 1wfo s MET 32 N 5.17 3.37 0.00 4.56 0.23 -1.25 -4.55 119.30 126.82 1wfo s MET 32 Ca 0.60 0.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.26 1wfo s MET 32 Cb -0.13 -2.42 0.00 0.00 -1.53 0.00 0.00 34.83 30.75 1wfo s MET 32 CO 0.30 -0.24 0.00 0.41 -2.03 0.00 0.00 175.02 173.46 1wfo n GLY 33 N -2.22 0.84 3.45 3.16 0.00 -1.26 -2.10 105.19 107.04 1wfo n GLY 33 Ca 0.01 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.42 4.45 0.14 -0.61 -1.09 -1.26 -3.77 121.20 116.64 1wfo s ILE 34 Ca 0.00 -0.71 0.10 0.00 -2.23 0.00 0.00 60.65 57.81 1wfo s ILE 34 Cb 0.00 -4.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.14 1wfo s ILE 34 CO 0.00 -1.45 -0.24 -0.76 -1.23 0.00 0.00 174.94 171.25 1wfo s LEU 35 N 3.65 2.35 -0.55 2.97 2.01 -0.77 -4.99 118.68 123.35 1wfo s LEU 35 Ca 0.24 -0.77 -0.00 0.00 0.01 0.00 0.00 54.13 53.61 1wfo s LEU 35 Cb -0.14 -1.11 0.14 0.00 0.01 0.00 0.00 46.19 45.09 1wfo s LEU 35 CO 0.05 0.13 0.33 -0.36 1.01 0.00 0.00 176.35 177.51 1wfo s PHE 36 N -1.29 3.38 -0.08 0.29 0.08 -1.26 -1.22 117.98 117.87 1wfo s PHE 36 Ca 0.14 -2.85 -0.27 0.00 0.12 0.00 0.00 56.93 54.07 1wfo s PHE 36 Cb -0.09 -3.07 -0.23 0.00 -0.57 0.00 0.00 43.02 39.06 1wfo s PHE 36 CO 0.07 -0.83 1.00 -1.00 -0.10 0.00 0.00 175.22 174.35 1wfo h PRO 37 N 7.01 -0.01 -4.92 0.24 0.13 -1.94 -3.43 132.00 129.07 1wfo h PRO 37 Ca -0.05 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.41 1wfo h PRO 37 Cb 0.95 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.78 1wfo h PRO 37 CO 0.69 0.72 -0.73 -2.00 -0.23 0.00 0.00 178.00 176.45 1wfo s GLU 38 N -3.20 3.00 -0.19 0.86 2.12 -1.09 -5.06 118.70 115.14 1wfo s GLU 38 Ca -0.17 -0.87 -0.05 0.00 0.36 0.00 0.00 54.97 54.24 1wfo s GLU 38 Cb -0.01 -3.01 0.07 0.00 0.26 0.00 0.00 34.13 31.44 1wfo s GLU 38 CO 0.67 -0.35 0.10 0.08 -0.54 0.00 0.00 175.26 175.22 1wfo s VAL 39 N 1.38 -0.10 0.00 3.70 1.01 -1.26 0.19 120.40 125.31 1wfo s VAL 39 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1wfo s VAL 39 Cb -0.16 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1wfo s VAL 39 CO -0.04 -0.32 0.00 0.54 0.00 0.00 0.00 175.10 175.28 1wfo n ARG 40 N 5.28 1.25 0.00 2.72 1.74 0.55 -4.62 116.66 123.58 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 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 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 -0.89 0.00 -0.00 0.55 -2.24 -1.26 -3.51 114.28 106.93 1wfo n THR 41 Ca 0.00 0.43 -0.05 0.00 -2.27 0.00 0.00 64.05 62.16 1wfo n THR 41 Cb 0.00 -0.93 0.13 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 -0.99 1.75 -3.59 4.28 -2.24 -1.26 -3.99 114.28 108.25 1wfo n THR 42 Ca 0.00 -0.81 -0.10 0.00 -2.27 0.00 0.00 64.05 60.86 1wfo n THR 42 Cb 0.00 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 67.58 1wfo n THR 42 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wfo s SER 43 N -0.22 -0.39 0.27 3.42 0.01 -1.26 -1.36 113.70 114.18 1wfo s SER 43 Ca 0.27 0.50 -0.10 0.00 1.31 0.00 0.00 55.95 57.93 1wfo s SER 43 Cb 0.22 0.41 -0.00 0.00 0.21 0.00 0.00 66.02 66.86 1wfo s SER 43 CO 0.06 -0.31 0.47 0.68 0.41 0.00 0.00 173.24 174.55 1wfo s VAL 44 N -0.86 0.00 -0.29 3.43 -7.23 0.14 0.21 120.40 115.80 1wfo s VAL 44 Ca -0.01 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1wfo s VAL 44 Cb -0.01 -2.36 0.18 0.00 0.56 0.00 0.00 36.38 34.74 1wfo s VAL 44 CO 0.00 0.00 0.55 -0.60 -0.31 0.00 0.00 175.10 174.75 1wfo s ARG 45 N -3.71 0.53 0.41 4.82 3.52 0.49 -0.23 118.95 124.78 1wfo s ARG 45 Ca 0.25 0.81 0.08 0.00 -0.13 0.00 0.00 55.73 56.74 1wfo s ARG 45 Cb -0.00 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1wfo s ARG 45 CO 0.12 -0.72 0.36 -0.48 -0.81 0.00 0.00 175.30 173.77 1wfo s LEU 46 N 2.79 3.39 0.02 -0.88 2.34 -1.08 -2.68 118.68 122.57 1wfo s LEU 46 Ca 0.17 -0.75 0.01 0.00 0.06 0.00 0.00 54.13 53.63 1wfo s LEU 46 Cb -0.14 -2.03 -0.02 0.00 -0.56 0.00 0.00 46.19 43.44 1wfo s LEU 46 CO -0.22 -0.62 -0.05 0.27 -1.06 0.00 0.00 176.35 174.67 1wfo s ILE 47 N -2.47 0.32 0.32 1.48 -0.00 -0.36 -2.04 121.20 118.45 1wfo s ILE 47 Ca 0.47 -0.77 0.05 0.00 -0.00 0.00 0.00 60.65 60.40 1wfo s ILE 47 Cb -0.03 -0.39 -0.03 0.00 -0.00 0.00 0.00 42.46 42.01 1wfo s ILE 47 CO 0.27 -0.30 0.21 -1.66 -0.00 0.00 0.00 174.94 173.46 1wfo s TRP 48 N -1.05 1.65 0.18 1.37 -2.14 0.21 -1.84 118.94 117.32 1wfo s TRP 48 Ca -0.09 -1.50 0.04 0.00 2.66 0.00 0.00 56.10 57.21 1wfo s TRP 48 Cb -0.08 -0.80 -0.05 0.00 -3.10 0.00 0.00 33.47 29.44 1wfo s TRP 48 CO -0.00 -0.66 -0.05 -0.65 -2.66 0.00 0.00 176.95 172.92 1wfo s GLN 49 N -3.67 1.17 0.54 3.25 -0.21 -0.89 -4.57 119.66 115.27 1wfo s GLN 49 Ca 0.36 -1.55 -0.18 0.00 0.02 0.00 0.00 55.36 54.02 1wfo s GLN 49 Cb 0.04 -0.58 -0.06 0.00 1.00 0.00 0.00 33.01 33.40 1wfo s GLN 49 CO 0.21 -0.01 1.04 -1.25 -2.12 0.00 0.00 175.29 173.16 1wfo s PRO 50 N -3.81 3.59 -0.18 2.91 0.04 -1.26 -3.89 135.00 132.39 1wfo s PRO 50 Ca 0.22 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 1wfo s PRO 50 Cb 0.04 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 50 CO 0.04 -0.60 1.29 -1.25 0.04 0.00 0.00 177.00 176.52 1wfo s PRO 51 N -3.69 4.17 0.54 0.56 0.04 -1.26 -4.75 135.00 130.62 1wfo s PRO 51 Ca 0.65 1.61 0.47 0.00 0.04 0.00 0.00 61.00 63.77 1wfo s PRO 51 Cb -0.16 -3.80 1.69 0.00 0.04 0.00 0.00 34.50 32.28 1wfo s PRO 51 CO 0.29 -0.79 1.60 0.00 0.04 0.00 0.00 177.00 178.14 1wfo h ALA 52 N 8.47 3.67 -3.14 8.56 0.00 -1.94 -1.96 119.26 132.93 1wfo h ALA 52 Ca -0.27 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 53.95 1wfo h ALA 52 Cb 1.11 0.15 -0.40 0.00 0.00 0.00 0.00 17.79 18.65 1wfo h ALA 52 CO 0.98 -2.23 -0.48 0.00 0.00 0.00 0.00 179.25 177.53 1wfo s ALA 53 N -4.92 3.72 0.14 0.00 0.00 -1.26 -4.89 121.76 114.54 1wfo s ALA 53 Ca -0.05 -3.60 -0.04 0.00 0.00 0.00 0.00 51.96 48.26 1wfo s ALA 53 Cb 0.27 -2.35 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 1wfo s ALA 53 CO 0.88 -2.09 1.34 -1.00 0.00 0.00 0.00 175.76 174.89 1wfo h PRO 54 N 6.04 0.44 -6.75 0.00 0.13 -1.75 -3.30 132.00 126.81 1wfo h PRO 54 Ca 0.06 -0.43 -0.55 0.00 -0.87 0.00 0.00 66.00 64.21 1wfo h PRO 54 Cb 0.83 0.11 -0.17 0.00 0.13 0.00 0.00 31.00 31.90 1wfo h PRO 54 CO 0.73 1.08 -0.87 0.09 -0.23 0.00 0.00 178.00 178.80 1wfo n ASN 55 N -3.79 -1.65 0.00 1.44 3.02 -1.26 -3.66 115.26 109.36 1wfo n ASN 55 Ca -0.06 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1wfo n ASN 55 Cb 0.79 -2.62 0.00 0.00 -0.61 0.00 0.00 39.78 37.35 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 -1.72 4.34 3.71 7.41 0.00 -1.26 -3.87 105.19 113.79 1wfo n GLY 56 Ca -0.10 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1wfo n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfo s ILE 57 N -0.77 2.33 -0.00 -0.61 1.09 -1.26 -4.92 121.20 117.06 1wfo s ILE 57 Ca 0.00 0.16 -0.30 0.00 -1.10 0.00 0.00 60.65 59.41 1wfo s ILE 57 Cb 0.00 -3.10 -0.05 0.00 -1.06 0.00 0.00 42.46 38.25 1wfo s ILE 57 CO 0.00 0.01 1.31 -0.63 -0.10 0.00 0.00 174.94 175.53 1wfo s ILE 58 N 1.52 3.90 -0.11 2.92 -1.09 -1.26 -4.49 121.20 122.57 1wfo s ILE 58 Ca 0.75 1.28 0.17 0.00 -2.23 0.00 0.00 60.65 60.62 1wfo s ILE 58 Cb -0.47 -3.82 -0.20 0.00 -1.58 0.00 0.00 42.46 36.38 1wfo s ILE 58 CO 0.32 0.02 0.58 0.18 -1.23 0.00 0.00 174.94 174.81 1wfo n LEU 59 N 5.03 0.58 0.00 2.97 4.32 0.65 -4.62 117.00 125.92 1wfo n LEU 59 Ca 0.12 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 1wfo n LEU 59 Cb 0.45 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 1wfo n LEU 59 CO 0.57 0.27 0.00 0.00 -1.22 0.00 0.00 177.39 177.01 1wfo n ALA 60 N -2.50 0.00 -2.22 -1.18 0.00 -1.10 -3.69 120.51 109.83 1wfo n ALA 60 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1wfo n ALA 60 Cb 0.94 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.29 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 -2.96 1.21 -0.05 0.00 1.51 0.90 0.91 117.35 118.85 1wfo s TYR 61 Ca 0.00 -1.33 0.01 0.00 -1.01 0.00 0.00 57.07 54.74 1wfo s TYR 61 Cb 0.00 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1wfo s TYR 61 CO 0.00 -0.57 -0.06 -1.14 -1.11 0.00 0.00 175.55 172.66 1wfo s GLN 62 N -4.13 1.08 -0.19 -0.62 2.00 0.12 0.15 119.66 118.07 1wfo s GLN 62 Ca 0.37 -0.19 0.00 0.00 -2.00 0.00 0.00 55.36 53.55 1wfo s GLN 62 Cb 0.07 -1.02 0.04 0.00 0.80 0.00 0.00 33.01 32.91 1wfo s GLN 62 CO 0.11 -0.06 -0.08 0.42 -0.50 0.00 0.00 175.29 175.18 1wfo s ILE 63 N 0.90 1.48 -0.15 -2.34 1.01 0.90 -0.65 121.20 122.35 1wfo s ILE 63 Ca -0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1wfo s ILE 63 Cb -0.15 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1wfo s ILE 63 CO 0.01 0.12 -0.12 0.42 0.00 0.00 0.00 174.94 175.37 1wfo s THR 64 N 1.46 3.05 -0.16 2.92 -4.23 -0.73 -1.49 115.64 116.46 1wfo s THR 64 Ca -0.01 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1wfo s THR 64 Cb -0.16 -2.30 0.01 0.00 1.34 0.00 0.00 72.50 71.39 1wfo s THR 64 CO -0.08 0.51 -0.18 -1.38 -0.54 0.00 0.00 174.62 172.95 1wfo s HIS 65 N 0.56 2.76 0.01 3.99 -3.43 -1.08 -0.72 115.29 117.38 1wfo s HIS 65 Ca -0.08 -1.31 0.01 0.00 -0.80 0.00 0.00 55.06 52.89 1wfo s HIS 65 Cb -0.16 -1.89 -0.01 0.00 -1.43 0.00 0.00 32.58 29.09 1wfo s HIS 65 CO 0.03 -0.62 -0.04 -0.98 -2.00 0.00 0.00 174.74 171.13 1wfo s ARG 66 N 1.00 0.32 -0.20 -0.38 1.70 -1.02 -2.69 118.95 117.68 1wfo s ARG 66 Ca -0.02 -0.32 -0.29 0.00 -0.47 0.00 0.00 55.73 54.62 1wfo s ARG 66 Cb -0.15 -0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.01 1wfo s ARG 66 CO -0.05 0.05 1.44 -0.51 -1.08 0.00 0.00 175.30 175.15 1wfo s LEU 67 N -0.60 4.03 0.44 -1.89 1.43 -1.26 0.30 118.68 121.12 1wfo s LEU 67 Ca -0.04 1.62 0.22 0.00 -1.03 0.00 0.00 54.13 54.90 1wfo s LEU 67 Cb -0.04 -3.54 1.21 0.00 0.03 0.00 0.00 46.19 43.85 1wfo s LEU 67 CO -0.00 -1.03 1.81 -1.13 0.23 0.00 0.00 176.35 176.23 1wfo h ASN 68 N 9.48 0.32 -3.23 2.29 -0.73 -1.13 -3.30 115.58 119.29 1wfo h ASN 68 Ca -0.30 0.05 -0.57 0.00 1.87 0.00 0.00 56.30 57.35 1wfo h ASN 68 Cb 1.13 -0.00 -0.40 0.00 0.27 0.00 0.00 38.32 39.32 1wfo h ASN 68 CO 0.99 0.08 -0.76 0.42 -0.37 0.00 0.00 177.43 177.79 1wfo s THR 69 N -5.34 0.82 0.00 -3.57 -4.23 -1.26 -5.08 115.64 96.99 1wfo s THR 69 Ca -0.08 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1wfo s THR 69 Cb 0.24 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1wfo s THR 69 CO 0.79 -0.49 0.00 1.07 -0.54 0.00 0.00 174.62 175.46 1wfo n THR 70 N 4.89 0.00 0.00 3.99 5.66 -1.24 -4.94 114.28 122.64 1wfo n THR 70 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1wfo n THR 70 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 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 0.00 -4.49 1.09 -2.24 -1.26 -5.10 114.28 102.28 1wfo n THR 71 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wfo n THR 71 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1wfo n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfo n ALA 72 N -3.00 0.00 -0.08 6.98 0.00 -1.26 -4.64 120.51 118.51 1wfo n ALA 72 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1wfo n ALA 72 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1wfo n ALA 72 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wfo n ASN 73 N -1.06 2.52 -0.62 0.00 6.94 -1.26 -5.09 115.26 116.69 1wfo n ASN 73 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 1wfo n ASN 73 Cb 0.00 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 1wfo n ASN 73 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1wfo n THR 74 N -2.88 0.00 -4.16 5.53 -2.24 -1.26 -5.17 114.28 104.09 1wfo n THR 74 Ca -0.28 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 1wfo n THR 74 Cb 0.84 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 1wfo n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfo s ALA 75 N -1.15 3.28 -0.72 6.98 0.00 -1.26 -5.00 121.76 123.90 1wfo s ALA 75 Ca 0.00 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.44 1wfo s ALA 75 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1wfo s ALA 75 CO 0.00 0.56 1.56 0.99 0.00 0.00 0.00 175.76 178.87 1wfo s THR 76 N -1.58 3.57 -0.17 0.00 2.01 -1.09 -4.91 115.64 113.46 1wfo s THR 76 Ca 0.27 0.21 -0.20 0.00 0.31 0.00 0.00 61.69 62.29 1wfo s THR 76 Cb -0.10 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 67.88 1wfo s THR 76 CO 0.19 -1.44 0.56 -0.69 -0.69 0.00 0.00 174.62 172.55 1wfo s VAL 77 N 7.24 5.09 -0.05 3.82 1.01 -1.26 -2.64 120.40 133.61 1wfo s VAL 77 Ca 0.50 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.57 1wfo s VAL 77 Cb -0.09 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1wfo s VAL 77 CO 0.15 0.19 -0.08 -0.70 0.00 0.00 0.00 175.10 174.66 1wfo s GLU 78 N 1.44 1.18 0.12 2.72 2.12 -0.56 -5.01 118.70 120.71 1wfo s GLU 78 Ca 0.27 -0.26 -0.14 0.00 0.36 0.00 0.00 54.97 55.20 1wfo s GLU 78 Cb -0.16 -1.06 -0.07 0.00 0.26 0.00 0.00 34.13 33.11 1wfo s GLU 78 CO 0.11 -0.00 0.52 0.08 -0.54 0.00 0.00 175.26 175.42 1wfo s VAL 79 N 0.67 4.90 0.40 3.70 1.01 -1.26 -0.07 120.40 129.75 1wfo s VAL 79 Ca -0.11 0.81 0.05 0.00 0.00 0.00 0.00 61.98 62.72 1wfo s VAL 79 Cb -0.14 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1wfo s VAL 79 CO 0.02 0.30 0.03 -0.76 0.00 0.00 0.00 175.10 174.69 1wfo s LEU 80 N -1.81 2.50 0.69 3.92 1.43 0.40 -4.93 118.68 120.88 1wfo s LEU 80 Ca 0.35 -1.45 -0.09 0.00 -1.03 0.00 0.00 54.13 51.91 1wfo s LEU 80 Cb -0.15 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.44 1wfo s LEU 80 CO 0.19 -0.61 1.03 0.00 0.23 0.00 0.00 176.35 177.19 1wfo s ALA 81 N -2.95 3.04 -2.00 4.21 0.00 -1.26 -0.07 121.76 122.73 1wfo s ALA 81 Ca 0.29 -0.65 0.23 0.00 0.00 0.00 0.00 51.96 51.84 1wfo s ALA 81 Cb 0.07 -2.78 1.40 0.00 0.00 0.00 0.00 23.12 21.81 1wfo s ALA 81 CO 0.14 -1.16 1.77 -0.35 0.00 0.00 0.00 175.76 176.16 1wfo n PRO 82 N -2.91 0.75 -0.67 0.00 -0.04 -1.24 -2.46 135.00 128.43 1wfo n PRO 82 Ca 0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.57 1wfo n PRO 82 Cb 0.59 -1.49 0.20 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.99 1.86 -4.28 3.54 2.88 -1.26 -4.89 113.62 110.48 1wfo n SER 83 Ca 0.18 -3.90 -0.40 0.00 -1.33 0.00 0.00 58.87 53.41 1wfo n SER 83 Cb 0.08 -0.52 -0.10 0.00 -0.75 0.00 0.00 64.21 62.92 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 -3.25 3.30 -0.66 -1.46 0.00 -1.03 -4.90 121.76 113.76 1wfo s ALA 84 Ca 0.39 -2.11 0.24 0.00 0.00 0.00 0.00 51.96 50.48 1wfo s ALA 84 Cb 0.37 -2.66 0.38 0.00 0.00 0.00 0.00 23.12 21.22 1wfo s ALA 84 CO -0.06 -1.63 1.36 0.54 0.00 0.00 0.00 175.76 175.96 1wfo n ARG 85 N 4.93 0.28 -4.11 0.00 3.00 -1.26 -4.92 116.66 114.59 1wfo n ARG 85 Ca -0.10 0.09 -0.16 0.00 -0.01 0.00 0.00 57.85 57.67 1wfo n ARG 85 Cb 0.43 -1.69 -0.04 0.00 0.00 0.00 0.00 32.46 31.16 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 -3.16 1.96 -0.01 5.56 1.03 -1.26 0.65 119.66 124.43 1wfo s GLN 86 Ca 0.07 -1.84 -0.27 0.00 0.04 0.00 0.00 55.36 53.36 1wfo s GLN 86 Cb 0.13 0.44 0.06 0.00 0.03 0.00 0.00 33.01 33.67 1wfo s GLN 86 CO 0.71 -0.81 0.61 -0.47 -2.54 0.00 0.00 175.29 172.80 1wfo s TYR 87 N -2.96 -0.57 -0.15 9.60 5.04 -0.87 -4.98 117.35 122.47 1wfo s TYR 87 Ca 0.32 0.87 -0.02 0.00 -2.44 0.00 0.00 57.07 55.80 1wfo s TYR 87 Cb -0.00 0.39 -0.02 0.00 0.35 0.00 0.00 41.96 42.67 1wfo s TYR 87 CO 0.22 -0.62 -0.08 0.99 -1.34 0.00 0.00 175.55 174.73 1wfo s THR 88 N -1.63 3.49 -0.23 4.34 2.01 -1.26 -2.65 115.64 119.70 1wfo s THR 88 Ca -0.09 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 1wfo s THR 88 Cb -0.01 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 1wfo s THR 88 CO 0.06 0.50 -0.01 0.00 -0.69 0.00 0.00 174.62 174.47 1wfo s ALA 89 N 0.44 2.89 0.17 7.40 0.00 0.68 -4.99 121.76 128.36 1wfo s ALA 89 Ca -0.06 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 50.79 1wfo s ALA 89 Cb -0.15 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1wfo s ALA 89 CO 0.04 -0.51 -0.20 0.95 0.00 0.00 0.00 175.76 176.04 1wfo s THR 90 N 1.50 1.98 -0.13 0.00 -4.23 -1.26 0.28 115.64 113.77 1wfo s THR 90 Ca 0.05 -1.95 -0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1wfo s THR 90 Cb -0.15 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 1wfo s THR 90 CO -0.02 -0.25 0.11 0.61 -0.54 0.00 0.00 174.62 174.53 1wfo n GLY 91 N 0.29 0.57 3.53 3.99 0.00 -0.46 -4.96 105.19 108.14 1wfo n GLY 91 Ca -0.13 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.04 2.54 -0.14 0.99 1.43 -0.98 -5.01 118.68 114.47 1wfo s LEU 92 Ca 0.04 -1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 51.71 1wfo s LEU 92 Cb -0.00 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1wfo s LEU 92 CO 0.09 -0.50 0.11 -0.75 0.23 0.00 0.00 176.35 175.53 1wfo s LYS 93 N -3.78 3.64 0.91 1.70 2.20 -1.26 -4.02 119.74 119.13 1wfo s LYS 93 Ca 0.35 -0.21 -0.12 0.00 -0.36 0.00 0.00 55.97 55.63 1wfo s LYS 93 Cb 0.09 -3.21 0.14 0.00 -1.51 0.00 0.00 37.83 33.34 1wfo s LYS 93 CO 0.16 0.59 1.14 -1.25 -0.36 0.00 0.00 175.35 175.64 1wfo s PRO 94 N -0.51 1.13 -1.29 4.03 0.04 -1.26 -4.16 135.00 132.98 1wfo s PRO 94 Ca 0.12 0.28 -0.05 0.00 0.04 0.00 0.00 61.00 61.39 1wfo s PRO 94 Cb -0.12 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 1wfo s PRO 94 CO 0.02 -2.20 0.62 0.39 0.04 0.00 0.00 177.00 175.87 1wfo n GLU 95 N -3.77 -3.35 -1.64 4.56 -0.58 0.12 -4.93 120.64 111.06 1wfo n GLU 95 Ca 0.07 0.51 -0.02 0.00 -0.42 0.00 0.00 57.16 57.30 1wfo n GLU 95 Cb 0.59 -4.71 -0.00 0.00 -0.57 0.00 0.00 31.44 26.76 1wfo n GLU 95 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wfo n SER 96 N -2.95 -0.23 -3.89 1.62 3.41 -1.23 -4.94 113.62 105.42 1wfo n SER 96 Ca -0.25 -1.22 -0.16 0.00 -0.26 0.00 0.00 58.87 56.98 1wfo n SER 96 Cb 0.66 0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 64.85 1wfo n SER 96 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wfo s VAL 97 N -2.66 0.27 -0.09 -3.33 0.11 -1.26 0.14 120.40 113.58 1wfo s VAL 97 Ca 0.03 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1wfo s VAL 97 Cb -0.00 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.57 1wfo s VAL 97 CO 0.02 0.12 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.40 1wfo s TYR 98 N 0.37 2.12 -0.32 1.54 1.51 0.04 -0.46 117.35 122.15 1wfo s TYR 98 Ca -0.04 -0.85 -0.21 0.00 -1.01 0.00 0.00 57.07 54.96 1wfo s TYR 98 Cb -0.07 -1.46 -0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1wfo s TYR 98 CO -0.01 -0.37 0.69 -1.17 -1.11 0.00 0.00 175.55 173.58 1wfo s LEU 99 N 0.48 4.14 -0.39 -1.29 1.98 0.15 -0.21 118.68 123.55 1wfo s LEU 99 Ca -0.17 0.44 -0.15 0.00 -2.89 0.00 0.00 54.13 51.37 1wfo s LEU 99 Cb -0.17 -2.90 0.01 0.00 0.66 0.00 0.00 46.19 43.79 1wfo s LEU 99 CO 0.07 -0.56 0.30 -0.36 -1.89 0.00 0.00 176.35 173.91 1wfo s PHE 100 N 2.76 3.23 -0.40 5.38 0.40 0.37 -2.43 117.98 127.29 1wfo s PHE 100 Ca 0.28 -0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 56.06 1wfo s PHE 100 Cb -0.14 -2.60 0.03 0.00 0.51 0.00 0.00 43.02 40.82 1wfo s PHE 100 CO 0.13 -0.53 0.27 0.50 0.70 0.00 0.00 175.22 176.29 1wfo s ARG 101 N 1.77 2.89 -0.11 0.44 3.52 0.10 -0.27 118.95 127.29 1wfo s ARG 101 Ca 0.07 -1.11 -0.11 0.00 -0.13 0.00 0.00 55.73 54.45 1wfo s ARG 101 Cb -0.18 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 1wfo s ARG 101 CO 0.11 -0.78 0.24 0.42 -0.81 0.00 0.00 175.30 174.47 1wfo s ILE 102 N 1.61 5.34 0.14 4.11 1.01 0.79 -1.77 121.20 132.43 1wfo s ILE 102 Ca 0.04 0.43 -0.10 0.00 0.00 0.00 0.00 60.65 61.02 1wfo s ILE 102 Cb -0.20 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 1wfo s ILE 102 CO 0.08 0.54 0.28 -0.89 0.00 0.00 0.00 174.94 174.95 1wfo s THR 103 N -0.59 0.09 0.20 2.92 2.01 0.18 0.01 115.64 120.45 1wfo s THR 103 Ca 0.17 -1.22 0.10 0.00 0.31 0.00 0.00 61.69 61.05 1wfo s THR 103 Cb -0.13 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1wfo s THR 103 CO 0.06 -0.40 -0.15 0.00 -0.69 0.00 0.00 174.62 173.44 1wfo s ALA 104 N -3.92 2.81 -0.16 7.40 0.00 -1.26 0.16 121.76 126.79 1wfo s ALA 104 Ca 0.12 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1wfo s ALA 104 Cb 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1wfo s ALA 104 CO -0.05 0.42 -0.20 -1.14 0.00 0.00 0.00 175.76 174.79 1wfo s GLN 105 N -2.91 3.02 0.00 0.00 0.74 0.26 -3.47 119.66 117.31 1wfo s GLN 105 Ca 0.25 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.82 1wfo s GLN 105 Cb -0.08 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.51 1wfo s GLN 105 CO 0.14 -0.11 0.00 0.25 -0.55 0.00 0.00 175.29 175.02 1wfo n THR 106 N 4.34 0.00 1.56 -0.34 -2.24 -0.61 0.24 114.28 117.23 1wfo n THR 106 Ca -0.20 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1wfo n THR 106 Cb 0.51 0.00 0.74 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.77 -0.13 -0.78 1.85 -1.26 -3.09 116.66 114.02 1wfo n ARG 107 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 1wfo n ARG 107 Cb 0.00 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.81 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 -1.01 0.56 0.00 2.89 4.01 -1.26 -5.12 118.16 118.23 1wfo n LYS 108 Ca 0.19 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 58.19 1wfo n LYS 108 Cb 0.09 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 1wfo n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wfo n GLY 109 N 1.69 -0.51 2.89 0.72 0.00 -1.18 -5.01 105.19 103.78 1wfo n GLY 109 Ca -0.48 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 1.94 0.00 1.61 0.52 -1.26 -1.57 118.94 120.18 1wfo s TRP 110 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 56.10 54.72 1wfo s TRP 110 Cb 0.00 -1.40 0.00 0.00 -1.15 0.00 0.00 33.47 30.92 1wfo s TRP 110 CO 0.00 -0.70 0.00 0.41 0.02 0.00 0.00 176.95 176.68 1wfo n GLY 111 N 4.80 -0.93 3.09 0.98 0.00 -1.23 -4.99 105.19 106.92 1wfo n GLY 111 Ca -0.11 -1.46 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.39 -3.74 1.61 1.02 -0.88 -4.79 120.64 112.48 1wfo n GLU 112 Ca 0.00 -0.40 -0.12 0.00 -0.02 0.00 0.00 57.16 56.61 1wfo n GLU 112 Cb 0.00 -1.42 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.11 -0.56 -0.26 0.62 0.00 -1.26 -4.39 121.76 113.79 1wfo s ALA 113 Ca 0.41 0.95 -0.19 0.00 0.00 0.00 0.00 51.96 53.13 1wfo s ALA 113 Cb -0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1wfo s ALA 113 CO 0.50 -0.18 0.55 0.00 0.00 0.00 0.00 175.76 176.63 1wfo s ALA 114 N 1.09 3.59 -0.25 0.00 0.00 0.10 -4.84 121.76 121.44 1wfo s ALA 114 Ca -0.08 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 1wfo s ALA 114 Cb -0.09 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1wfo s ALA 114 CO -0.07 -0.79 0.16 -1.21 0.00 0.00 0.00 175.76 173.85 1wfo s GLU 115 N 2.38 3.98 -0.07 0.00 2.02 -1.26 -0.15 118.70 125.61 1wfo s GLU 115 Ca 0.23 -0.31 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 1wfo s GLU 115 Cb -0.16 -3.55 0.03 0.00 0.10 0.00 0.00 34.13 30.55 1wfo s GLU 115 CO 0.09 -0.04 -0.01 0.00 0.02 0.00 0.00 175.26 175.32 1wfo s ALA 116 N 1.34 0.71 -0.05 5.21 0.00 0.63 -4.93 121.76 124.67 1wfo s ALA 116 Ca 0.07 -0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 1wfo s ALA 116 Cb -0.15 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.25 1wfo s ALA 116 CO 0.07 -0.36 0.43 -0.51 0.00 0.00 0.00 175.76 175.39 1wfo s LEU 117 N 1.73 4.39 -0.07 0.00 1.43 -1.26 0.14 118.68 125.04 1wfo s LEU 117 Ca 0.01 0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1wfo s LEU 117 Cb -0.13 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.49 1wfo s LEU 117 CO -0.04 0.19 -0.03 0.54 0.23 0.00 0.00 176.35 177.24 1wfo s VAL 118 N -0.37 0.60 0.31 -1.59 0.11 0.71 -4.92 120.40 115.25 1wfo s VAL 118 Ca 0.24 -0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.99 1wfo s VAL 118 Cb -0.16 -0.68 -0.10 0.00 -1.53 0.00 0.00 36.38 33.91 1wfo s VAL 118 CO 0.12 0.28 0.89 -0.69 -3.33 0.00 0.00 175.10 172.37 1wfo s VAL 119 N 1.58 4.33 -0.31 2.04 1.01 -1.26 -0.78 120.40 127.01 1wfo s VAL 119 Ca -0.00 1.64 -0.17 0.00 0.00 0.00 0.00 61.98 63.45 1wfo s VAL 119 Cb -0.13 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1wfo s VAL 119 CO -0.04 0.09 0.46 0.42 0.00 0.00 0.00 175.10 176.04 1wfo s THR 120 N -1.67 5.08 -0.08 3.92 -4.23 0.12 -4.91 115.64 113.86 1wfo s THR 120 Ca 0.50 0.47 -0.32 0.00 -1.18 0.00 0.00 61.69 61.16 1wfo s THR 120 Cb -0.17 -3.86 0.14 0.00 1.34 0.00 0.00 72.50 69.95 1wfo s THR 120 CO 0.22 -0.05 1.41 0.28 -0.54 0.00 0.00 174.62 175.94 1wfo s THR 121 N 2.26 0.00 -0.43 3.99 -1.32 -1.23 0.16 115.64 119.07 1wfo s THR 121 Ca 0.18 -0.04 -0.13 0.00 -1.21 0.00 0.00 61.69 60.48 1wfo s THR 121 Cb -0.16 -2.08 0.06 0.00 -1.51 0.00 0.00 72.50 68.81 1wfo s THR 121 CO 0.11 0.00 0.32 -1.61 -2.21 0.00 0.00 174.62 171.23 1wfo s GLU 122 N -2.08 2.86 0.44 7.08 2.02 -1.26 -4.41 118.70 123.35 1wfo s GLU 122 Ca 0.16 -1.28 0.06 0.00 0.02 0.00 0.00 54.97 53.94 1wfo s GLU 122 Cb 0.07 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 1wfo s GLU 122 CO -0.06 -0.91 0.16 0.15 0.02 0.00 0.00 175.26 174.62 1wfo s LYS 123 N 1.58 2.19 -0.08 1.61 1.02 -1.26 -5.12 119.74 119.68 1wfo s LYS 123 Ca 0.04 -1.98 -0.16 0.00 0.02 0.00 0.00 55.97 53.89 1wfo s LYS 123 Cb -0.22 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 1wfo s LYS 123 CO 0.06 -0.20 0.41 0.50 -0.92 0.00 0.00 175.35 175.20 1wfo s ARG 124 N -3.92 4.15 0.70 1.68 6.06 -1.26 -5.07 118.95 121.30 1wfo s ARG 124 Ca 0.35 0.36 -0.13 0.00 -2.50 0.00 0.00 55.73 53.80 1wfo s ARG 124 Cb 0.04 -3.35 0.02 0.00 0.06 0.00 0.00 34.95 31.72 1wfo s ARG 124 CO 0.19 0.39 1.10 -1.12 -2.50 0.00 0.00 175.30 173.36 1wfo s SER 125 N -0.08 4.96 0.00 -2.12 0.01 -1.26 -4.98 113.70 110.23 1wfo s SER 125 Ca 0.23 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.40 1wfo s SER 125 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1wfo s SER 125 CO 0.10 -1.73 0.00 0.61 0.41 0.00 0.00 173.24 172.63 1wfo n GLY 126 N -0.85 -0.93 3.78 3.44 0.00 -1.26 -5.17 105.19 104.20 1wfo n GLY 126 Ca 0.10 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 1wfo n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfo s PRO 127 N 0.00 0.84 -0.07 1.61 0.04 -1.26 -5.09 135.00 131.06 1wfo s PRO 127 Ca 0.00 0.17 -0.11 0.00 0.04 0.00 0.00 61.00 61.10 1wfo s PRO 127 Cb 0.00 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.75 1wfo s PRO 127 CO 0.00 -2.38 0.29 0.45 0.04 0.00 0.00 177.00 175.40 1wfo s SER 128 N -4.12 -0.24 0.42 6.66 0.15 -1.26 -5.12 113.70 110.19 1wfo s SER 128 Ca 0.66 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1wfo s SER 128 Cb -0.13 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1wfo s SER 128 CO 0.53 -0.23 0.00 -0.24 1.20 0.00 0.00 173.24 174.50 1wfo n SER 129 N 2.29 -6.67 0.00 5.45 2.88 -1.26 -5.32 113.62 110.98 1wfo n SER 129 Ca -0.16 0.91 0.11 0.00 -1.33 0.00 0.00 58.87 58.39 1wfo n SER 129 Cb 0.57 -3.75 0.63 0.00 -0.75 0.00 0.00 64.21 60.91 1wfo n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42