#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 -0.37 -0.24 1.61 0.15 -1.26 -5.18 113.70 108.42 1wfo s SER 2 Ca 0.00 0.68 -0.26 0.00 0.70 0.00 0.00 55.95 57.07 1wfo s SER 2 Cb 0.00 0.68 0.11 0.00 -1.71 0.00 0.00 66.02 65.09 1wfo s SER 2 CO 0.00 -0.14 0.92 -0.44 1.20 0.00 0.00 173.24 174.78 1wfo s SER 3 N 0.05 -0.53 0.00 5.45 0.01 -1.26 -5.10 113.70 112.33 1wfo s SER 3 Ca 0.04 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1wfo s SER 3 Cb -0.05 0.91 0.00 0.00 0.21 0.00 0.00 66.02 67.09 1wfo s SER 3 CO -0.07 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1wfo n GLY 4 N 2.01 -1.76 3.40 3.44 0.00 -1.26 -5.17 105.19 105.86 1wfo n GLY 4 Ca -0.13 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 1wfo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfo s SER 5 N 0.00 3.56 -1.25 1.61 1.04 -1.26 -5.05 113.70 112.35 1wfo s SER 5 Ca 0.00 -0.39 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1wfo s SER 5 Cb 0.00 -0.56 0.14 0.00 0.10 0.00 0.00 66.02 65.70 1wfo s SER 5 CO 0.00 0.31 1.57 -1.20 0.98 0.00 0.00 173.24 174.90 1wfo n SER 6 N 2.10 5.10 -0.01 7.02 7.64 -1.26 -4.95 113.62 129.25 1wfo n SER 6 Ca -0.16 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.75 1wfo n SER 6 Cb 0.52 -1.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 1wfo n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfo n GLY 7 N 4.39 0.60 2.71 0.23 0.00 -1.26 -4.71 105.19 107.15 1wfo n GLY 7 Ca 0.41 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 1wfo n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfo s ARG 8 N 0.00 0.08 -0.45 1.61 1.81 -1.26 -5.09 118.95 115.65 1wfo s ARG 8 Ca 0.00 0.19 0.03 0.00 -1.72 0.00 0.00 55.73 54.23 1wfo s ARG 8 Cb 0.00 -1.19 0.13 0.00 -0.45 0.00 0.00 34.95 33.44 1wfo s ARG 8 CO 0.00 -0.56 0.22 0.96 -0.68 0.00 0.00 175.30 175.24 1wfo s ILE 9 N 2.23 1.98 0.29 1.52 -4.36 -1.26 -5.10 121.20 116.51 1wfo s ILE 9 Ca 0.04 -2.78 -0.29 0.00 -0.26 0.00 0.00 60.65 57.35 1wfo s ILE 9 Cb -0.15 -2.39 -0.10 0.00 1.25 0.00 0.00 42.46 41.07 1wfo s ILE 9 CO -0.09 -0.81 1.29 -0.83 0.24 0.00 0.00 174.94 174.75 1wfo s GLY 10 N 0.22 2.84 0.00 6.27 0.00 -1.26 -5.00 107.32 110.40 1wfo s GLY 10 Ca 0.16 1.20 0.00 0.00 0.00 0.00 0.00 44.72 46.08 1wfo s GLY 10 CO -0.02 1.93 0.00 1.34 0.00 0.00 0.00 173.10 176.34 1wfo n ASP 11 N 1.33 0.00 0.00 1.64 2.03 -1.26 -5.16 116.55 115.13 1wfo n ASP 11 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1wfo n ASP 11 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1wfo n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfo n GLY 12 N -0.06 1.92 3.02 0.27 0.00 -1.26 -5.13 105.19 103.95 1wfo n GLY 12 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 44.79 1wfo n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfo s SER 13 N 0.00 -0.72 -1.20 1.61 0.01 -1.26 -5.07 113.70 107.06 1wfo s SER 13 Ca 0.00 -0.14 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 1wfo s SER 13 Cb 0.00 1.18 -0.02 0.00 0.21 0.00 0.00 66.02 67.38 1wfo s SER 13 CO 0.00 -0.11 1.90 -0.81 0.41 0.00 0.00 173.24 174.64 1wfo n PRO 14 N 4.54 2.34 -1.07 12.44 -0.04 -1.26 -4.80 135.00 147.14 1wfo n PRO 14 Ca 0.08 -2.69 0.13 0.00 -0.04 0.00 0.00 63.50 60.98 1wfo n PRO 14 Cb 0.59 -3.46 -0.07 0.00 -0.04 0.00 0.00 33.50 30.52 1wfo n PRO 14 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfo n SER 15 N 10.03 -5.99 -4.33 3.54 7.64 -1.26 -4.84 113.62 118.40 1wfo n SER 15 Ca 0.48 1.01 -0.36 0.00 1.01 0.00 0.00 58.87 61.02 1wfo n SER 15 Cb 0.44 -3.65 -0.14 0.00 -1.01 0.00 0.00 64.21 59.86 1wfo n SER 15 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1wfo s HIS 16 N -3.72 3.02 0.58 1.43 -3.43 -1.26 -5.10 115.29 106.81 1wfo s HIS 16 Ca 0.00 -0.90 -0.16 0.00 -0.80 0.00 0.00 55.06 53.20 1wfo s HIS 16 Cb 0.00 -2.15 -0.04 0.00 -1.43 0.00 0.00 32.58 28.96 1wfo s HIS 16 CO 0.00 -0.53 1.05 -1.25 -2.00 0.00 0.00 174.74 172.01 1wfo s PRO 17 N 1.49 3.42 0.84 -0.38 0.04 -1.26 -5.06 135.00 134.10 1wfo s PRO 17 Ca 0.05 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1wfo s PRO 17 Cb -0.15 -2.05 0.20 0.00 0.04 0.00 0.00 34.50 32.54 1wfo s PRO 17 CO -0.01 -0.72 0.92 -0.35 0.04 0.00 0.00 177.00 176.88 1wfo n PRO 18 N -1.91 -1.80 -1.75 0.56 -0.04 -1.26 -4.96 135.00 123.84 1wfo n PRO 18 Ca 0.09 -1.45 -0.42 0.00 -0.04 0.00 0.00 63.50 61.68 1wfo n PRO 18 Cb 0.53 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.84 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 -3.84 1.56 -3.15 0.52 2.08 -1.26 -4.98 119.36 110.29 1wfo n ILE 19 Ca 0.12 -0.39 0.04 0.00 0.56 0.00 0.00 62.75 63.08 1wfo n ILE 19 Cb 0.44 -1.93 -0.00 0.00 -0.75 0.00 0.00 39.64 37.40 1wfo n ILE 19 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1wfo s LEU 20 N -1.26 -1.47 0.36 1.39 1.43 -1.26 -5.16 118.68 112.71 1wfo s LEU 20 Ca 0.58 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.93 1wfo s LEU 20 Cb -0.50 2.02 -0.08 0.00 0.03 0.00 0.00 46.19 47.66 1wfo s LEU 20 CO 0.57 -0.27 0.76 -1.61 0.23 0.00 0.00 176.35 176.03 1wfo s GLU 21 N 2.85 3.93 -0.29 1.70 8.01 -1.26 -5.07 118.70 128.57 1wfo s GLU 21 Ca 0.14 0.63 -0.01 0.00 0.01 0.00 0.00 54.97 55.73 1wfo s GLU 21 Cb -0.11 -2.40 0.13 0.00 -4.31 0.00 0.00 34.13 27.44 1wfo s GLU 21 CO -0.24 0.07 0.25 0.50 0.01 0.00 0.00 175.26 175.86 1wfo s ARG 22 N -3.31 0.30 0.08 1.61 6.06 -1.26 -5.01 118.95 117.43 1wfo s ARG 22 Ca 0.54 -0.28 -0.16 0.00 -2.50 0.00 0.00 55.73 53.33 1wfo s ARG 22 Cb -0.10 -0.80 -0.10 0.00 0.06 0.00 0.00 34.95 34.00 1wfo s ARG 22 CO 0.22 -1.03 1.39 1.15 -2.50 0.00 0.00 175.30 174.53 1wfo h THR 23 N 6.26 1.31 -3.32 4.11 2.02 -2.05 -3.44 112.91 117.80 1wfo h THR 23 Ca -0.14 -1.47 -0.33 0.00 0.77 0.00 0.00 66.41 65.23 1wfo h THR 23 Cb 1.06 1.69 0.15 0.00 -1.74 0.00 0.00 68.15 69.30 1wfo h THR 23 CO 0.36 0.46 0.26 -0.11 0.37 0.00 0.00 175.52 176.86 1wfo n LEU 24 N -4.30 0.00 -3.60 2.58 7.94 -1.26 -5.10 117.00 113.26 1wfo n LEU 24 Ca -0.05 -1.09 -0.08 0.00 -1.11 0.00 0.00 56.01 53.69 1wfo n LEU 24 Cb 0.47 -0.81 -0.05 0.00 0.53 0.00 0.00 43.42 43.57 1wfo n LEU 24 CO 0.44 -1.46 0.90 -1.81 -1.11 0.00 0.00 177.39 174.35 1wfo s ASP 25 N -4.56 -0.25 0.00 1.96 1.01 -1.26 -5.05 116.67 108.51 1wfo s ASP 25 Ca 0.59 0.26 0.00 0.00 0.71 0.00 0.00 52.55 54.11 1wfo s ASP 25 Cb -0.03 0.21 0.00 0.00 1.01 0.00 0.00 42.92 44.12 1wfo s ASP 25 CO 0.42 -0.25 0.00 -0.90 0.21 0.00 0.00 175.17 174.65 1wfo n ASP 26 N 0.59 0.00 -4.04 0.27 5.68 -1.22 -5.13 116.55 112.71 1wfo n ASP 26 Ca -0.07 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.86 1wfo n ASP 26 Cb 0.58 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.61 1wfo n ASP 26 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1wfo n VAL 27 N -0.42 0.01 -1.16 2.12 0.24 -1.26 -4.50 118.33 113.35 1wfo n VAL 27 Ca 0.00 -0.48 -0.17 0.00 -2.04 0.00 0.00 64.34 61.65 1wfo n VAL 27 Cb 0.00 -0.04 0.13 0.00 -1.47 0.00 0.00 33.84 32.46 1wfo n VAL 27 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1wfo n PRO 28 N 2.19 -1.46 -0.98 7.34 -0.04 -1.23 -4.84 135.00 135.99 1wfo n PRO 28 Ca -0.01 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1wfo n PRO 28 Cb 0.55 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 1wfo n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wfo n GLY 29 N -0.70 2.31 3.73 0.55 0.00 -1.23 -2.87 105.19 106.98 1wfo n GLY 29 Ca 0.09 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.33 4.56 -0.47 1.61 0.04 -1.26 -4.15 135.00 133.99 1wfo s PRO 30 Ca 0.00 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1wfo s PRO 30 Cb 0.00 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1wfo s PRO 30 CO 0.00 0.00 1.45 -1.25 0.04 0.00 0.00 177.00 177.24 1wfo s PRO 31 N -0.13 3.42 0.48 0.56 0.04 -1.26 -4.67 135.00 133.44 1wfo s PRO 31 Ca 0.51 0.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 1wfo s PRO 31 Cb -0.30 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 1wfo s PRO 31 CO 0.34 -1.77 0.78 0.00 0.04 0.00 0.00 177.00 176.39 1wfo s MET 32 N 5.27 3.47 0.00 4.56 0.23 -1.25 -4.57 119.30 127.01 1wfo s MET 32 Ca 0.59 0.12 0.00 0.00 -1.03 0.00 0.00 55.69 55.37 1wfo s MET 32 Cb -0.13 -2.39 0.00 0.00 -1.53 0.00 0.00 34.83 30.78 1wfo s MET 32 CO 0.29 -0.23 0.00 0.41 -2.03 0.00 0.00 175.02 173.47 1wfo n GLY 33 N -2.25 0.96 3.65 3.16 0.00 -1.26 -2.59 105.19 106.86 1wfo n GLY 33 Ca 0.01 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.34 4.92 -0.01 -0.61 -1.09 -1.26 -3.93 121.20 116.88 1wfo s ILE 34 Ca 0.00 1.41 -0.11 0.00 -2.23 0.00 0.00 60.65 59.71 1wfo s ILE 34 Cb 0.00 -4.05 0.01 0.00 -1.58 0.00 0.00 42.46 36.85 1wfo s ILE 34 CO 0.00 0.01 0.23 -0.76 -1.23 0.00 0.00 174.94 173.20 1wfo s LEU 35 N 2.39 1.16 -0.59 2.97 1.43 -0.83 -5.02 118.68 120.19 1wfo s LEU 35 Ca 0.32 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1wfo s LEU 35 Cb -0.16 1.00 0.15 0.00 0.03 0.00 0.00 46.19 47.22 1wfo s LEU 35 CO 0.09 -0.40 0.38 -0.36 0.23 0.00 0.00 176.35 176.30 1wfo s PHE 36 N -1.31 3.40 -0.08 0.29 0.08 -1.26 -1.26 117.98 117.84 1wfo s PHE 36 Ca -0.14 -2.77 -0.27 0.00 0.12 0.00 0.00 56.93 53.87 1wfo s PHE 36 Cb -0.06 -3.14 -0.23 0.00 -0.57 0.00 0.00 43.02 39.02 1wfo s PHE 36 CO 0.03 -0.84 1.02 -1.00 -0.10 0.00 0.00 175.22 174.33 1wfo h PRO 37 N 7.04 0.02 -4.95 0.24 0.13 -1.94 -3.43 132.00 129.12 1wfo h PRO 37 Ca -0.04 -0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.41 1wfo h PRO 37 Cb 0.95 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 31.79 1wfo h PRO 37 CO 0.70 0.77 -0.73 -2.00 -0.23 0.00 0.00 178.00 176.51 1wfo s GLU 38 N -3.23 3.12 -0.04 0.86 2.12 -1.08 -5.05 118.70 115.40 1wfo s GLU 38 Ca -0.17 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.35 1wfo s GLU 38 Cb -0.00 -3.01 0.03 0.00 0.26 0.00 0.00 34.13 31.41 1wfo s GLU 38 CO 0.69 -0.30 0.07 0.08 -0.54 0.00 0.00 175.26 175.26 1wfo s VAL 39 N 1.41 -0.10 0.00 3.70 1.01 -1.26 0.18 120.40 125.35 1wfo s VAL 39 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1wfo s VAL 39 Cb -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1wfo s VAL 39 CO -0.04 0.12 0.00 0.54 0.00 0.00 0.00 175.10 175.72 1wfo n ARG 40 N 4.65 2.18 0.00 2.72 1.74 0.59 -4.75 116.66 123.78 1wfo n ARG 40 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 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 0.00 0.00 -0.07 0.55 -2.24 -1.26 -3.34 114.28 107.92 1wfo n THR 41 Ca 0.00 0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 62.13 1wfo n THR 41 Cb 0.00 -0.91 0.11 0.00 -2.10 0.00 0.00 70.33 67.44 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 -0.44 1.95 -3.61 4.28 -2.24 -1.25 -3.93 114.28 109.03 1wfo n THR 42 Ca 0.00 -0.90 -0.11 0.00 -2.27 0.00 0.00 64.05 60.77 1wfo n THR 42 Cb 0.00 -0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 67.50 1wfo n THR 42 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wfo s SER 43 N -0.19 -0.46 0.26 3.42 0.15 -1.26 0.17 113.70 115.80 1wfo s SER 43 Ca 0.28 0.73 -0.12 0.00 0.70 0.00 0.00 55.95 57.54 1wfo s SER 43 Cb 0.23 0.69 -0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1wfo s SER 43 CO 0.06 -0.26 0.50 0.68 1.20 0.00 0.00 173.24 175.42 1wfo s VAL 44 N -0.34 0.00 -0.27 4.45 -7.23 0.22 0.22 120.40 117.45 1wfo s VAL 44 Ca 0.00 -1.40 -0.06 0.00 -1.81 0.00 0.00 61.98 58.71 1wfo s VAL 44 Cb -0.03 -2.27 0.14 0.00 0.56 0.00 0.00 36.38 34.77 1wfo s VAL 44 CO -0.02 0.00 0.55 -0.60 -0.31 0.00 0.00 175.10 174.72 1wfo s ARG 45 N -3.85 0.49 0.41 4.82 3.52 0.49 0.19 118.95 125.01 1wfo s ARG 45 Ca 0.23 1.14 0.07 0.00 -0.13 0.00 0.00 55.73 57.04 1wfo s ARG 45 Cb -0.01 0.51 -0.06 0.00 -1.56 0.00 0.00 34.95 33.84 1wfo s ARG 45 CO 0.10 -0.36 0.15 -0.48 -0.81 0.00 0.00 175.30 173.90 1wfo s LEU 46 N 2.78 3.09 -0.01 -0.88 2.34 -1.17 -2.63 118.68 122.20 1wfo s LEU 46 Ca 0.04 -1.10 0.00 0.00 0.06 0.00 0.00 54.13 53.13 1wfo s LEU 46 Cb -0.13 -1.37 0.01 0.00 -0.56 0.00 0.00 46.19 44.13 1wfo s LEU 46 CO -0.18 -0.51 -0.01 0.27 -1.06 0.00 0.00 176.35 174.87 1wfo s ILE 47 N -2.61 0.10 0.11 1.48 -0.00 -0.39 -2.39 121.20 117.51 1wfo s ILE 47 Ca 0.40 0.00 0.01 0.00 -0.00 0.00 0.00 60.65 61.06 1wfo s ILE 47 Cb 0.04 -0.13 -0.00 0.00 -0.00 0.00 0.00 42.46 42.37 1wfo s ILE 47 CO 0.22 0.06 0.03 -2.67 -0.00 0.00 0.00 174.94 172.58 1wfo n TRP 48 N 3.40 0.09 -4.03 1.37 2.14 0.62 -1.97 117.44 119.06 1wfo n TRP 48 Ca -0.17 -0.66 -0.08 0.00 2.07 0.00 0.00 57.50 58.66 1wfo n TRP 48 Cb 0.56 -0.02 -0.09 0.00 -0.81 0.00 0.00 31.31 30.96 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 -2.41 0.83 0.54 -2.67 -0.21 -1.07 -4.70 119.66 109.97 1wfo s GLN 49 Ca 0.04 -1.20 -0.18 0.00 0.02 0.00 0.00 55.36 54.04 1wfo s GLN 49 Cb 0.00 0.28 -0.06 0.00 1.00 0.00 0.00 33.01 34.23 1wfo s GLN 49 CO 0.03 -0.24 1.04 -1.25 -2.12 0.00 0.00 175.29 172.76 1wfo s PRO 50 N -3.95 3.59 -0.06 2.91 0.04 -1.26 -3.87 135.00 132.40 1wfo s PRO 50 Ca 0.12 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 1wfo s PRO 50 Cb 0.06 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 50 CO -0.06 -0.60 1.22 -1.25 0.04 0.00 0.00 177.00 176.36 1wfo s PRO 51 N -3.68 4.34 0.56 0.56 0.04 -1.26 -4.70 135.00 130.86 1wfo s PRO 51 Ca 0.65 1.70 0.38 0.00 0.04 0.00 0.00 61.00 63.77 1wfo s PRO 51 Cb -0.16 -3.57 1.54 0.00 0.04 0.00 0.00 34.50 32.36 1wfo s PRO 51 CO 0.28 -0.47 1.73 0.00 0.04 0.00 0.00 177.00 178.58 1wfo h ALA 52 N 7.53 3.20 -3.15 8.56 0.00 -1.94 -2.66 119.26 130.79 1wfo h ALA 52 Ca -0.34 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 53.86 1wfo h ALA 52 Cb 1.16 0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.66 1wfo h ALA 52 CO 0.89 -1.63 -0.44 0.00 0.00 0.00 0.00 179.25 178.06 1wfo s ALA 53 N -4.86 3.69 0.16 0.00 0.00 -1.26 -4.89 121.76 114.59 1wfo s ALA 53 Ca -0.05 -3.53 -0.01 0.00 0.00 0.00 0.00 51.96 48.37 1wfo s ALA 53 Cb 0.23 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 1wfo s ALA 53 CO 0.78 -2.09 1.37 -1.00 0.00 0.00 0.00 175.76 174.82 1wfo h PRO 54 N 6.25 0.35 -7.18 0.00 0.13 -1.87 -3.26 132.00 126.42 1wfo h PRO 54 Ca 0.04 -0.34 -0.63 0.00 -0.87 0.00 0.00 66.00 64.21 1wfo h PRO 54 Cb 0.86 0.09 -0.34 0.00 0.13 0.00 0.00 31.00 31.73 1wfo h PRO 54 CO 0.73 1.01 -0.93 0.09 -0.23 0.00 0.00 178.00 178.68 1wfo n ASN 55 N -3.76 -1.08 0.00 1.44 3.02 -1.26 -3.58 115.26 110.04 1wfo n ASN 55 Ca -0.05 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1wfo n ASN 55 Cb 0.78 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 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 -1.47 3.25 3.59 7.41 0.00 -1.26 -3.39 105.19 113.33 1wfo n GLY 56 Ca -0.00 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 0.38 -1.71 -0.61 -0.00 -1.26 -4.87 119.36 111.28 1wfo n ILE 57 Ca 0.00 -0.40 -0.43 0.00 -0.00 0.00 0.00 62.75 61.92 1wfo n ILE 57 Cb 0.00 -2.42 -0.02 0.00 -0.00 0.00 0.00 39.64 37.20 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 7.39 0.80 -0.03 1.39 2.08 -1.26 -4.49 119.36 125.25 1wfo n ILE 58 Ca 0.30 -0.20 0.03 0.00 0.56 0.00 0.00 62.75 63.44 1wfo n ILE 58 Cb 0.41 -1.74 -0.11 0.00 -0.75 0.00 0.00 39.64 37.46 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 2.45 0.00 0.00 1.39 4.77 0.51 -4.75 117.00 121.36 1wfo n LEU 59 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1wfo n LEU 59 Cb 0.34 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1wfo n LEU 59 CO 0.63 0.12 0.00 0.00 -1.33 0.00 0.00 177.39 176.81 1wfo n ALA 60 N -2.19 0.00 -2.52 -1.18 0.00 -1.09 -3.46 120.51 110.07 1wfo n ALA 60 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1wfo n ALA 60 Cb 0.58 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 -2.98 1.16 -0.02 0.00 1.51 0.67 0.13 117.35 117.83 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 -0.38 0.02 0.00 -0.11 0.00 0.00 41.96 41.49 1wfo s TYR 61 CO 0.00 -0.86 -0.01 -1.14 -1.11 0.00 0.00 175.55 172.44 1wfo s GLN 62 N -3.74 0.23 -0.25 -0.62 0.74 0.20 0.19 119.66 116.41 1wfo s GLN 62 Ca 0.35 0.02 0.01 0.00 0.05 0.00 0.00 55.36 55.79 1wfo s GLN 62 Cb 0.03 -0.35 0.07 0.00 1.10 0.00 0.00 33.01 33.86 1wfo s GLN 62 CO 0.17 -0.06 -0.04 0.42 -0.55 0.00 0.00 175.29 175.23 1wfo s ILE 63 N 0.60 1.65 0.33 -2.34 1.01 0.28 -0.82 121.20 121.90 1wfo s ILE 63 Ca -0.06 -1.41 0.05 0.00 0.00 0.00 0.00 60.65 59.23 1wfo s ILE 63 Cb -0.09 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1wfo s ILE 63 CO -0.01 -0.19 0.47 0.42 0.00 0.00 0.00 174.94 175.63 1wfo s THR 64 N 1.32 4.35 -0.24 2.92 -4.23 -0.52 -1.43 115.64 117.80 1wfo s THR 64 Ca -0.03 -0.93 -0.18 0.00 -1.18 0.00 0.00 61.69 59.37 1wfo s THR 64 Cb -0.19 -3.53 0.07 0.00 1.34 0.00 0.00 72.50 70.19 1wfo s THR 64 CO -0.08 -0.22 0.62 -1.38 -0.54 0.00 0.00 174.62 173.02 1wfo s HIS 65 N -2.17 -0.83 -0.28 3.99 -3.43 -1.24 -2.08 115.29 109.26 1wfo s HIS 65 Ca 0.43 1.81 -0.18 0.00 -0.80 0.00 0.00 55.06 56.31 1wfo s HIS 65 Cb -0.09 0.40 0.09 0.00 -1.43 0.00 0.00 32.58 31.55 1wfo s HIS 65 CO 0.31 -0.41 0.74 -0.98 -2.00 0.00 0.00 174.74 172.40 1wfo s ARG 66 N 1.03 0.70 -0.10 -0.38 1.70 -1.21 -3.68 118.95 117.00 1wfo s ARG 66 Ca -0.06 1.10 -0.40 0.00 -0.47 0.00 0.00 55.73 55.91 1wfo s ARG 66 Cb -0.05 0.19 -0.17 0.00 -0.57 0.00 0.00 34.95 34.35 1wfo s ARG 66 CO -0.10 -0.13 1.44 1.28 -1.08 0.00 0.00 175.30 176.71 1wfo n LEU 67 N 3.86 1.51 0.00 -1.89 7.99 -1.26 -2.26 117.00 124.95 1wfo n LEU 67 Ca -0.18 1.12 0.07 0.00 -0.01 0.00 0.00 56.01 57.00 1wfo n LEU 67 Cb 0.58 -1.09 0.30 0.00 -0.11 0.00 0.00 43.42 43.09 1wfo n LEU 67 CO -0.00 -1.00 0.71 -3.20 -1.51 0.00 0.00 177.39 172.39 1wfo n ASN 68 N 3.33 0.00 -3.31 -1.43 5.15 -0.62 -4.11 115.26 114.28 1wfo n ASN 68 Ca 0.22 0.46 -0.11 0.00 -0.60 0.00 0.00 54.58 54.56 1wfo n ASN 68 Cb 0.12 -0.48 -0.06 0.00 -0.53 0.00 0.00 39.78 38.84 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 -2.96 -0.56 -0.02 -0.44 -4.23 -1.26 -5.10 115.64 101.07 1wfo s THR 69 Ca 0.07 -0.59 -0.28 0.00 -1.18 0.00 0.00 61.69 59.71 1wfo s THR 69 Cb 0.09 -0.60 0.09 0.00 1.34 0.00 0.00 72.50 73.42 1wfo s THR 69 CO 0.24 -0.37 1.28 0.28 -0.54 0.00 0.00 174.62 175.52 1wfo s THR 70 N 1.81 0.00 -0.21 3.99 -1.32 -1.26 -5.00 115.64 113.65 1wfo s THR 70 Ca 0.15 -0.17 -0.29 0.00 -1.21 0.00 0.00 61.69 60.17 1wfo s THR 70 Cb -0.12 -2.99 -0.02 0.00 -1.51 0.00 0.00 72.50 67.86 1wfo s THR 70 CO -0.11 0.00 1.49 0.42 -2.21 0.00 0.00 174.62 174.21 1wfo s THR 71 N -2.02 3.88 1.03 5.08 -4.23 -1.26 -4.99 115.64 113.13 1wfo s THR 71 Ca 0.30 1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 61.70 1wfo s THR 71 Cb -0.01 -3.83 0.20 0.00 1.34 0.00 0.00 72.50 70.21 1wfo s THR 71 CO -0.01 -0.28 1.07 0.00 -0.54 0.00 0.00 174.62 174.87 1wfo s ALA 72 N 4.60 0.64 0.00 3.99 0.00 -1.26 -4.85 121.76 124.88 1wfo s ALA 72 Ca 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1wfo s ALA 72 Cb -0.23 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1wfo s ALA 72 CO 0.25 -3.07 0.00 -1.71 0.00 0.00 0.00 175.76 171.24 1wfo n ASN 73 N -4.37 0.00 -3.64 0.00 5.15 -1.26 -5.15 115.26 105.99 1wfo n ASN 73 Ca 0.05 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.98 1wfo n ASN 73 Cb 0.55 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.79 1wfo n ASN 73 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1wfo s THR 74 N 0.00 0.00 -0.15 -0.44 2.01 -1.26 -5.15 115.64 110.65 1wfo s THR 74 Ca 0.00 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.63 1wfo s THR 74 Cb 0.00 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 70.97 1wfo s THR 74 CO 0.00 0.00 -0.06 0.00 -0.69 0.00 0.00 174.62 173.87 1wfo s ALA 75 N -3.19 1.44 -1.02 7.40 0.00 -1.26 -4.95 121.76 120.18 1wfo s ALA 75 Ca 0.09 -0.73 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1wfo s ALA 75 Cb -0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1wfo s ALA 75 CO -0.03 -0.63 1.84 0.99 0.00 0.00 0.00 175.76 177.93 1wfo s THR 76 N 1.66 3.61 0.31 0.00 2.01 -1.24 -4.84 115.64 117.14 1wfo s THR 76 Ca 0.03 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 1wfo s THR 76 Cb -0.14 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 67.90 1wfo s THR 76 CO -0.08 -1.23 0.58 0.68 -0.69 0.00 0.00 174.62 173.89 1wfo s VAL 77 N 8.90 5.00 -0.02 3.82 -7.23 -1.26 -4.07 120.40 125.53 1wfo s VAL 77 Ca 0.64 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.92 1wfo s VAL 77 Cb -0.03 -3.74 0.01 0.00 0.56 0.00 0.00 36.38 33.17 1wfo s VAL 77 CO 0.01 -0.37 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.67 1wfo s GLU 78 N -3.65 0.74 -0.06 4.82 2.12 -0.52 -4.96 118.70 117.20 1wfo s GLU 78 Ca 0.45 -0.21 -0.24 0.00 0.36 0.00 0.00 54.97 55.32 1wfo s GLU 78 Cb -0.11 -0.72 -0.04 0.00 0.26 0.00 0.00 34.13 33.53 1wfo s GLU 78 CO 0.31 0.06 0.73 0.08 -0.54 0.00 0.00 175.26 175.90 1wfo s VAL 79 N 0.29 5.02 0.44 3.70 1.01 -1.26 -0.56 120.40 129.04 1wfo s VAL 79 Ca -0.04 1.52 0.07 0.00 0.00 0.00 0.00 61.98 63.53 1wfo s VAL 79 Cb -0.08 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1wfo s VAL 79 CO 0.00 0.24 0.32 -0.76 0.00 0.00 0.00 175.10 174.91 1wfo s LEU 80 N 0.81 3.16 0.80 3.92 1.43 0.51 -4.92 118.68 124.39 1wfo s LEU 80 Ca 0.39 -0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1wfo s LEU 80 Cb -0.18 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.43 1wfo s LEU 80 CO 0.19 -0.72 1.16 0.00 0.23 0.00 0.00 176.35 177.22 1wfo s ALA 81 N -2.58 2.62 -1.32 4.21 0.00 -1.26 -0.23 121.76 123.20 1wfo s ALA 81 Ca 0.43 -0.57 0.23 0.00 0.00 0.00 0.00 51.96 52.05 1wfo s ALA 81 Cb -0.01 -2.98 1.09 0.00 0.00 0.00 0.00 23.12 21.22 1wfo s ALA 81 CO 0.25 -1.62 1.73 -0.35 0.00 0.00 0.00 175.76 175.77 1wfo n PRO 82 N -3.29 0.24 -1.45 0.00 -0.04 -1.22 -2.72 135.00 126.51 1wfo n PRO 82 Ca 0.08 0.08 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 1wfo n PRO 82 Cb 0.60 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.66 1wfo n PRO 82 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfo n SER 83 N -1.34 4.21 -4.64 3.54 7.64 -1.26 -4.85 113.62 116.91 1wfo n SER 83 Ca 0.09 -3.79 -0.36 0.00 1.01 0.00 0.00 58.87 55.82 1wfo n SER 83 Cb 0.20 -0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.79 1wfo n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfo s ALA 84 N -3.50 3.51 -0.06 -0.43 0.00 -1.10 -4.94 121.76 115.24 1wfo s ALA 84 Ca 0.49 -0.83 0.11 0.00 0.00 0.00 0.00 51.96 51.73 1wfo s ALA 84 Cb 0.42 -2.14 -0.16 0.00 0.00 0.00 0.00 23.12 21.23 1wfo s ALA 84 CO 0.01 -0.04 0.15 -2.13 0.00 0.00 0.00 175.76 173.75 1wfo n ARG 85 N 3.97 1.25 -3.99 0.00 3.00 -1.26 -4.94 116.66 114.69 1wfo n ARG 85 Ca -0.16 -0.06 -0.09 0.00 -0.00 0.00 0.00 57.85 57.54 1wfo n ARG 85 Cb 0.52 -1.29 -0.08 0.00 0.00 0.00 0.00 32.46 31.62 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 -2.56 1.06 -0.11 -0.14 -2.07 -1.26 -0.28 119.66 114.31 1wfo s GLN 86 Ca -0.05 -1.20 -0.05 0.00 -1.82 0.00 0.00 55.36 52.24 1wfo s GLN 86 Cb 0.06 0.34 0.05 0.00 -1.09 0.00 0.00 33.01 32.37 1wfo s GLN 86 CO 0.48 -0.37 0.23 -0.47 -1.32 0.00 0.00 175.29 173.85 1wfo s TYR 87 N -3.97 -0.33 -0.13 9.60 6.14 -1.00 -5.02 117.35 122.64 1wfo s TYR 87 Ca 0.17 0.81 -0.20 0.00 0.64 0.00 0.00 57.07 58.49 1wfo s TYR 87 Cb 0.04 -0.03 -0.04 0.00 0.42 0.00 0.00 41.96 42.35 1wfo s TYR 87 CO -0.01 -0.28 0.55 0.99 0.64 0.00 0.00 175.55 177.45 1wfo s THR 88 N 1.81 5.13 -0.09 4.34 2.01 -1.26 -3.06 115.64 124.51 1wfo s THR 88 Ca -0.04 1.10 -0.04 0.00 0.31 0.00 0.00 61.69 63.02 1wfo s THR 88 Cb -0.11 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1wfo s THR 88 CO -0.08 0.26 0.08 0.00 -0.69 0.00 0.00 174.62 174.19 1wfo s ALA 89 N 0.95 3.60 -0.01 7.40 0.00 0.50 -4.96 121.76 129.24 1wfo s ALA 89 Ca 0.29 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1wfo s ALA 89 Cb -0.16 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 1wfo s ALA 89 CO 0.12 0.61 0.03 0.95 0.00 0.00 0.00 175.76 177.47 1wfo s THR 90 N -0.98 0.02 0.00 0.00 -4.23 -1.26 -0.61 115.64 108.57 1wfo s THR 90 Ca 0.15 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1wfo s THR 90 Cb -0.12 -0.10 0.00 0.00 1.34 0.00 0.00 72.50 73.62 1wfo s THR 90 CO 0.04 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1wfo n GLY 91 N 2.78 0.69 3.77 3.99 0.00 0.44 -4.93 105.19 111.93 1wfo n GLY 91 Ca -0.14 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.37 2.82 -0.18 0.99 1.43 -0.34 -4.97 118.68 116.07 1wfo s LEU 92 Ca 0.00 -1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 51.71 1wfo s LEU 92 Cb 0.00 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 1wfo s LEU 92 CO 0.00 -0.73 0.22 -0.75 0.23 0.00 0.00 176.35 175.32 1wfo s LYS 93 N -3.97 4.23 1.02 1.70 2.20 -1.26 -3.86 119.74 119.80 1wfo s LYS 93 Ca 0.31 -0.04 -0.16 0.00 -0.36 0.00 0.00 55.97 55.72 1wfo s LYS 93 Cb 0.02 -3.42 0.21 0.00 -1.51 0.00 0.00 37.83 33.13 1wfo s LYS 93 CO 0.17 0.26 1.19 -1.25 -0.36 0.00 0.00 175.35 175.37 1wfo s PRO 94 N 0.43 0.21 -1.60 4.03 0.04 -1.25 -4.03 135.00 132.82 1wfo s PRO 94 Ca 0.13 -0.06 -0.09 0.00 0.04 0.00 0.00 61.00 61.02 1wfo s PRO 94 Cb -0.12 -1.76 0.08 0.00 0.04 0.00 0.00 34.50 32.74 1wfo s PRO 94 CO 0.01 -2.76 0.46 0.39 0.04 0.00 0.00 177.00 175.14 1wfo n GLU 95 N -4.09 -2.33 -3.82 4.56 1.02 0.35 -4.89 120.64 111.44 1wfo n GLU 95 Ca 0.12 0.28 -0.09 0.00 -0.02 0.00 0.00 57.16 57.44 1wfo n GLU 95 Cb 0.59 -4.51 -0.05 0.00 -0.02 0.00 0.00 31.44 27.46 1wfo n GLU 95 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wfo s SER 96 N -3.88 -0.18 -0.07 1.62 0.01 -1.22 -4.94 113.70 105.04 1wfo s SER 96 Ca 0.35 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1wfo s SER 96 Cb -0.20 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 1wfo s SER 96 CO 0.95 -1.04 -0.11 0.54 0.41 0.00 0.00 173.24 173.98 1wfo s VAL 97 N -3.91 3.32 -0.17 3.43 0.11 -1.26 0.18 120.40 122.09 1wfo s VAL 97 Ca 0.12 -0.62 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1wfo s VAL 97 Cb -0.00 -2.34 0.02 0.00 -1.53 0.00 0.00 36.38 32.53 1wfo s VAL 97 CO -0.00 0.58 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.85 1wfo s TYR 98 N -0.57 2.58 -0.53 1.54 1.51 0.80 -1.58 117.35 121.10 1wfo s TYR 98 Ca 0.08 -1.51 -0.29 0.00 -1.01 0.00 0.00 57.07 54.35 1wfo s TYR 98 Cb -0.12 -1.81 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1wfo s TYR 98 CO 0.02 -0.76 1.20 -1.17 -1.11 0.00 0.00 175.55 173.72 1wfo s LEU 99 N 1.34 3.52 -0.40 -1.29 1.98 -0.96 -1.50 118.68 121.37 1wfo s LEU 99 Ca 0.05 0.29 -0.20 0.00 -2.89 0.00 0.00 54.13 51.37 1wfo s LEU 99 Cb -0.13 -3.32 0.01 0.00 0.66 0.00 0.00 46.19 43.41 1wfo s LEU 99 CO -0.12 -1.41 0.61 -0.36 -1.89 0.00 0.00 176.35 173.17 1wfo s PHE 100 N 4.87 3.12 -0.34 5.38 0.40 0.53 -3.36 117.98 128.57 1wfo s PHE 100 Ca 0.46 0.09 -0.10 0.00 -0.60 0.00 0.00 56.93 56.78 1wfo s PHE 100 Cb -0.08 -3.19 0.01 0.00 0.51 0.00 0.00 43.02 40.27 1wfo s PHE 100 CO 0.28 -0.73 0.18 0.50 0.70 0.00 0.00 175.22 176.16 1wfo s ARG 101 N 2.68 3.11 -0.11 0.44 3.52 -0.88 0.11 118.95 127.81 1wfo s ARG 101 Ca 0.22 -0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 54.83 1wfo s ARG 101 Cb -0.15 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 1wfo s ARG 101 CO 0.16 -0.55 0.22 0.42 -0.81 0.00 0.00 175.30 174.74 1wfo s ILE 102 N 1.59 5.36 0.06 4.11 1.01 0.14 -1.44 121.20 132.03 1wfo s ILE 102 Ca 0.04 0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 1wfo s ILE 102 Cb -0.18 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.78 1wfo s ILE 102 CO 0.07 0.54 0.22 -0.89 0.00 0.00 0.00 174.94 174.88 1wfo s THR 103 N -0.56 0.11 0.21 2.92 2.01 -0.00 0.39 115.64 120.72 1wfo s THR 103 Ca 0.16 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.30 1wfo s THR 103 Cb -0.13 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1wfo s THR 103 CO 0.05 -0.52 -0.02 0.00 -0.69 0.00 0.00 174.62 173.44 1wfo s ALA 104 N -3.12 3.14 -0.15 7.40 0.00 -1.26 0.61 121.76 128.37 1wfo s ALA 104 Ca -0.01 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1wfo s ALA 104 Cb 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1wfo s ALA 104 CO -0.07 0.41 -0.20 -1.14 0.00 0.00 0.00 175.76 174.76 1wfo s GLN 105 N -3.16 3.05 0.00 0.00 0.74 0.36 -3.70 119.66 116.94 1wfo s GLN 105 Ca 0.28 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.86 1wfo s GLN 105 Cb -0.08 -2.51 0.00 0.00 1.10 0.00 0.00 33.01 31.52 1wfo s GLN 105 CO 0.18 -0.06 0.00 0.25 -0.55 0.00 0.00 175.29 175.11 1wfo n THR 106 N 4.22 0.00 1.71 -0.34 -2.24 -0.32 0.19 114.28 117.51 1wfo n THR 106 Ca -0.20 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1wfo n THR 106 Cb 0.51 0.00 0.84 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.10 -0.78 1.85 -1.26 -3.03 116.66 114.10 1wfo n ARG 107 Ca 0.00 0.01 -0.13 0.00 -1.00 0.00 0.00 57.85 56.73 1wfo n ARG 107 Cb 0.00 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 29.79 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 -1.09 0.79 0.00 2.89 4.76 -1.26 -5.09 118.16 119.16 1wfo n LYS 108 Ca 0.20 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1wfo n LYS 108 Cb 0.14 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 2.22 0.19 3.23 0.72 0.00 -1.17 -4.91 105.19 105.47 1wfo n GLY 109 Ca -0.35 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.87 3.23 0.00 1.61 0.52 -1.26 -1.17 118.94 117.99 1wfo s TRP 110 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 56.10 54.53 1wfo s TRP 110 Cb 0.00 -2.18 0.00 0.00 -1.15 0.00 0.00 33.47 30.14 1wfo s TRP 110 CO 0.00 -0.75 0.00 0.41 0.02 0.00 0.00 176.95 176.63 1wfo n GLY 111 N 4.72 0.10 3.34 0.98 0.00 -1.24 -4.99 105.19 108.10 1wfo n GLY 111 Ca -0.13 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.85 -3.89 1.61 2.13 -1.14 -4.82 120.64 113.69 1wfo n GLU 112 Ca 0.00 -0.22 -0.13 0.00 0.66 0.00 0.00 57.16 57.47 1wfo n GLU 112 Cb 0.00 -1.76 -0.15 0.00 0.27 0.00 0.00 31.44 29.81 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wfo s ALA 113 N -2.31 0.09 -0.24 4.31 0.00 -1.26 -4.38 121.76 117.97 1wfo s ALA 113 Ca 0.56 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.37 1wfo s ALA 113 Cb -0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1wfo s ALA 113 CO 0.67 -0.01 0.56 0.00 0.00 0.00 0.00 175.76 176.98 1wfo s ALA 114 N 0.25 3.58 -0.25 0.00 0.00 0.16 -4.83 121.76 120.67 1wfo s ALA 114 Ca -0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 1wfo s ALA 114 Cb -0.04 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1wfo s ALA 114 CO -0.01 -0.67 0.16 -1.21 0.00 0.00 0.00 175.76 174.04 1wfo s GLU 115 N 2.16 4.01 -0.05 0.00 2.02 -1.26 0.28 118.70 125.86 1wfo s GLU 115 Ca 0.24 -0.30 -0.00 0.00 0.02 0.00 0.00 54.97 54.93 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 -0.01 0.00 0.00 0.02 0.00 0.00 175.26 175.36 1wfo s ALA 116 N 1.25 0.46 0.08 5.21 0.00 0.12 -4.94 121.76 123.94 1wfo s ALA 116 Ca 0.07 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1wfo s ALA 116 Cb -0.14 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 1wfo s ALA 116 CO 0.06 -0.24 0.42 -0.51 0.00 0.00 0.00 175.76 175.49 1wfo s LEU 117 N 1.45 4.36 -0.11 0.00 1.43 -1.26 0.20 118.68 124.75 1wfo s LEU 117 Ca -0.03 0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 53.86 1wfo s LEU 117 Cb -0.13 -2.99 0.05 0.00 0.03 0.00 0.00 46.19 43.15 1wfo s LEU 117 CO -0.03 0.17 0.23 0.54 0.23 0.00 0.00 176.35 177.50 1wfo s VAL 118 N -1.39 -0.21 0.21 -1.59 0.11 -0.57 -4.93 120.40 112.04 1wfo s VAL 118 Ca 0.33 0.23 -0.22 0.00 -2.93 0.00 0.00 61.98 59.39 1wfo s VAL 118 Cb -0.14 -0.38 -0.08 0.00 -1.53 0.00 0.00 36.38 34.25 1wfo s VAL 118 CO 0.18 0.10 0.76 -0.69 -3.33 0.00 0.00 175.10 172.12 1wfo s VAL 119 N 1.82 4.46 -0.35 2.04 1.01 -1.26 -0.14 120.40 127.98 1wfo s VAL 119 Ca -0.04 1.49 -0.15 0.00 0.00 0.00 0.00 61.98 63.29 1wfo s VAL 119 Cb -0.11 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1wfo s VAL 119 CO -0.08 0.32 0.34 0.42 0.00 0.00 0.00 175.10 176.11 1wfo s THR 120 N -1.39 5.19 -0.04 3.92 -4.23 0.47 -4.85 115.64 114.71 1wfo s THR 120 Ca 0.41 -0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.54 1wfo s THR 120 Cb -0.19 -3.83 0.12 0.00 1.34 0.00 0.00 72.50 69.94 1wfo s THR 120 CO 0.23 -0.12 1.23 0.28 -0.54 0.00 0.00 174.62 175.70 1wfo s THR 121 N 1.96 0.00 -0.13 3.99 -1.32 -1.21 0.13 115.64 119.06 1wfo s THR 121 Ca 0.10 -0.21 -0.16 0.00 -1.21 0.00 0.00 61.69 60.21 1wfo s THR 121 Cb -0.17 -1.76 -0.25 0.00 -1.51 0.00 0.00 72.50 68.81 1wfo s THR 121 CO 0.12 0.00 0.45 -0.33 -2.21 0.00 0.00 174.62 172.65 1wfo h GLU 122 N 2.00 0.18 -6.89 7.08 5.08 -1.90 -3.39 114.58 116.74 1wfo h GLU 122 Ca -0.25 -0.31 -0.54 0.00 -1.00 0.00 0.00 59.36 57.26 1wfo h GLU 122 Cb 1.20 0.11 0.10 0.00 0.50 0.00 0.00 28.75 30.67 1wfo h GLU 122 CO 0.27 1.15 0.79 1.63 -1.00 0.00 0.00 179.01 181.84 1wfo n LYS 123 N -4.00 2.66 -3.38 2.33 4.01 -1.26 -4.94 118.16 113.58 1wfo n LYS 123 Ca -0.27 0.93 -0.45 0.00 -0.51 0.00 0.00 58.31 58.01 1wfo n LYS 123 Cb 0.86 -2.67 -0.05 0.00 -0.51 0.00 0.00 35.03 32.66 1wfo n LYS 123 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1wfo s ARG 124 N -1.70 3.06 -0.16 1.97 0.52 -1.26 -4.88 118.95 116.50 1wfo s ARG 124 Ca 0.56 -1.99 -0.12 0.00 -0.52 0.00 0.00 55.73 53.66 1wfo s ARG 124 Cb -0.49 -4.24 -0.07 0.00 0.52 0.00 0.00 34.95 30.67 1wfo s ARG 124 CO 0.60 -1.29 -0.08 0.43 0.02 0.00 0.00 175.30 174.99 1wfo n SER 125 N 4.71 1.82 -1.26 0.23 7.64 -1.26 -5.10 113.62 120.41 1wfo n SER 125 Ca -0.03 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1wfo n SER 125 Cb 0.42 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1wfo n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfo n GLY 126 N 1.57 -2.43 3.80 0.23 0.00 -1.26 -5.06 105.19 102.04 1wfo n GLY 126 Ca -0.14 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.64 1.87 -0.29 1.61 0.04 -1.26 -5.06 135.00 131.27 1wfo s PRO 127 Ca 0.00 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1wfo s PRO 127 Cb 0.00 -1.90 0.09 0.00 0.04 0.00 0.00 34.50 32.73 1wfo s PRO 127 CO 0.00 -1.75 0.05 -1.54 0.04 0.00 0.00 177.00 173.80 1wfo s SER 128 N -3.94 4.08 0.29 6.66 1.04 -1.26 -4.86 113.70 115.71 1wfo s SER 128 Ca 0.61 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1wfo s SER 128 Cb -0.14 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.90 1wfo s SER 128 CO 0.54 -0.37 0.00 -1.20 0.98 0.00 0.00 173.24 173.19 1wfo n SER 129 N 4.70 -2.57 0.00 7.02 7.64 -1.26 -5.32 113.62 123.83 1wfo n SER 129 Ca -0.03 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1wfo n SER 129 Cb 0.43 2.59 0.00 0.00 -1.01 0.00 0.00 64.21 66.21 1wfo n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64