#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 -8.16 -3.62 1.61 7.64 -1.26 -5.07 113.62 104.77 1wfo n SER 2 Ca 0.00 0.99 0.03 0.00 1.01 0.00 0.00 58.87 60.89 1wfo n SER 2 Cb 0.00 -4.41 -0.00 0.00 -1.01 0.00 0.00 64.21 58.78 1wfo n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfo s SER 3 N -7.11 -0.03 0.00 6.43 1.04 -1.26 -5.18 113.70 107.58 1wfo s SER 3 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1wfo s SER 3 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1wfo s SER 3 CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1wfo n GLY 4 N -0.54 4.68 0.00 7.32 0.00 -1.26 -5.19 105.19 110.20 1wfo n GLY 4 Ca -0.08 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1wfo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfo n SER 5 N 0.00 0.00 -3.88 1.61 7.64 -1.26 -5.19 113.62 112.54 1wfo n SER 5 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1wfo n SER 5 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1wfo n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfo s SER 6 N 0.00 0.13 0.21 6.43 0.15 -1.26 -5.18 113.70 114.18 1wfo s SER 6 Ca 0.00 -1.11 -0.07 0.00 0.70 0.00 0.00 55.95 55.46 1wfo s SER 6 Cb 0.00 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 1wfo s SER 6 CO 0.00 -1.13 0.40 0.61 1.20 0.00 0.00 173.24 174.33 1wfo n GLY 7 N -0.40 1.55 3.04 9.45 0.00 -1.26 -5.18 105.19 112.39 1wfo n GLY 7 Ca -0.01 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1wfo n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wfo s ARG 8 N -2.08 0.41 -0.18 1.61 1.04 -1.26 -5.15 118.95 113.35 1wfo s ARG 8 Ca 0.09 -0.57 -0.06 0.00 -1.04 0.00 0.00 55.73 54.14 1wfo s ARG 8 Cb -0.02 0.16 -0.04 0.00 -2.04 0.00 0.00 34.95 33.01 1wfo s ARG 8 CO 0.07 -0.09 0.03 0.42 -0.04 0.00 0.00 175.30 175.70 1wfo s ILE 9 N -1.65 4.53 -0.30 4.99 -1.09 -1.26 -5.06 121.20 121.36 1wfo s ILE 9 Ca -0.14 -0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.00 1wfo s ILE 9 Cb -0.08 -3.03 0.19 0.00 -1.58 0.00 0.00 42.46 37.96 1wfo s ILE 9 CO -0.01 0.47 1.16 -0.83 -1.23 0.00 0.00 174.94 174.50 1wfo s GLY 10 N 0.40 0.38 0.06 6.18 0.00 -1.26 -5.18 107.32 107.90 1wfo s GLY 10 Ca 0.01 3.58 -0.28 0.00 0.00 0.00 0.00 44.72 48.03 1wfo s GLY 10 CO 0.01 2.76 1.15 0.51 0.00 0.00 0.00 173.10 177.52 1wfo s ASP 11 N 1.23 -0.10 -0.03 1.64 1.47 -1.26 -5.19 116.67 114.44 1wfo s ASP 11 Ca -0.08 -0.27 -0.31 0.00 1.18 0.00 0.00 52.55 53.08 1wfo s ASP 11 Cb -0.03 0.31 0.12 0.00 -0.34 0.00 0.00 42.92 42.98 1wfo s ASP 11 CO -0.12 -0.57 1.31 -0.83 0.68 0.00 0.00 175.17 175.64 1wfo s GLY 12 N -3.00 -0.43 -0.42 2.12 0.00 -1.26 -5.13 107.32 99.20 1wfo s GLY 12 Ca 0.14 0.73 0.04 0.00 0.00 0.00 0.00 44.72 45.63 1wfo s GLY 12 CO -0.01 0.13 0.76 -0.45 0.00 0.00 0.00 173.10 173.53 1wfo s SER 13 N -2.98 -1.23 0.82 1.64 0.15 -1.26 -5.16 113.70 105.68 1wfo s SER 13 Ca 0.14 -0.94 -0.12 0.00 0.70 0.00 0.00 55.95 55.74 1wfo s SER 13 Cb 0.05 1.58 0.08 0.00 -1.71 0.00 0.00 66.02 66.03 1wfo s SER 13 CO -0.04 -0.10 1.11 -2.16 1.20 0.00 0.00 173.24 173.24 1wfo s PRO 14 N 1.50 1.89 0.30 5.44 0.04 -1.26 -5.09 135.00 137.82 1wfo s PRO 14 Ca 0.21 0.57 0.05 0.00 0.04 0.00 0.00 61.00 61.86 1wfo s PRO 14 Cb -0.00 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 1wfo s PRO 14 CO -0.08 -1.74 0.01 -1.12 0.04 0.00 0.00 177.00 174.11 1wfo s SER 15 N -3.93 2.47 0.03 6.66 0.01 -1.26 -5.16 113.70 112.52 1wfo s SER 15 Ca 0.61 -1.29 0.02 0.00 1.31 0.00 0.00 55.95 56.60 1wfo s SER 15 Cb -0.14 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1wfo s SER 15 CO 0.54 -0.50 -0.06 -1.00 0.41 0.00 0.00 173.24 172.63 1wfo s HIS 16 N -3.20 0.52 0.68 2.43 3.76 -1.26 -5.16 115.29 113.07 1wfo s HIS 16 Ca 0.33 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 1wfo s HIS 16 Cb 0.07 -0.32 0.00 0.00 1.11 0.00 0.00 32.58 33.43 1wfo s HIS 16 CO 0.13 -0.09 1.06 -1.25 -0.85 0.00 0.00 174.74 173.74 1wfo s PRO 17 N -1.23 3.01 0.67 8.40 0.04 -1.26 -5.04 135.00 139.59 1wfo s PRO 17 Ca -0.09 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 61.82 1wfo s PRO 17 Cb -0.08 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1wfo s PRO 17 CO 0.00 -1.05 1.06 -1.25 0.04 0.00 0.00 177.00 175.80 1wfo s PRO 18 N -4.91 3.04 -1.32 0.56 0.04 -1.26 -4.93 135.00 126.22 1wfo s PRO 18 Ca 0.59 1.00 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 1wfo s PRO 18 Cb -0.14 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1wfo s PRO 18 CO 0.52 -1.02 2.76 -0.89 0.04 0.00 0.00 177.00 178.41 1wfo n ILE 19 N -2.88 4.56 0.00 0.56 5.41 -1.26 -4.93 119.36 120.83 1wfo n ILE 19 Ca 0.08 -3.26 0.00 0.00 1.00 0.00 0.00 62.75 60.57 1wfo n ILE 19 Cb 0.53 -2.29 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 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 2.57 0.00 -1.78 1.39 7.94 -1.26 -4.86 117.00 120.99 1wfo n LEU 20 Ca 0.68 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.58 1wfo n LEU 20 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1wfo n LEU 20 CO 0.70 0.00 -0.36 1.21 -1.11 0.00 0.00 177.39 177.83 1wfo n GLU 21 N 0.00 -4.10 -3.84 1.96 2.13 -1.26 -4.98 120.64 110.55 1wfo n GLU 21 Ca 0.00 3.05 -0.30 0.00 0.66 0.00 0.00 57.16 60.57 1wfo n GLU 21 Cb 0.00 -3.35 -0.14 0.00 0.27 0.00 0.00 31.44 28.23 1wfo n GLU 21 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1wfo s ARG 22 N -1.15 1.67 -0.08 5.31 3.52 -1.26 -4.96 118.95 122.00 1wfo s ARG 22 Ca 0.00 -2.35 -0.13 0.00 -0.13 0.00 0.00 55.73 53.11 1wfo s ARG 22 Cb 0.00 -2.88 -0.10 0.00 -1.56 0.00 0.00 34.95 30.40 1wfo s ARG 22 CO 0.00 -1.13 0.49 1.15 -0.81 0.00 0.00 175.30 174.99 1wfo h THR 23 N 5.38 0.53 -4.10 4.11 2.02 -2.02 -3.46 112.91 115.37 1wfo h THR 23 Ca -0.05 -1.18 -0.54 0.00 0.77 0.00 0.00 66.41 65.41 1wfo h THR 23 Cb 0.91 0.95 -0.25 0.00 -1.74 0.00 0.00 68.15 68.02 1wfo h THR 23 CO 0.60 0.16 -0.83 -0.22 0.37 0.00 0.00 175.52 175.60 1wfo s LEU 24 N -8.73 2.19 1.03 2.58 1.98 -1.26 -5.14 118.68 111.33 1wfo s LEU 24 Ca -0.08 -0.53 -0.12 0.00 -2.89 0.00 0.00 54.13 50.51 1wfo s LEU 24 Cb -0.00 -0.86 0.21 0.00 0.66 0.00 0.00 46.19 46.20 1wfo s LEU 24 CO 0.29 0.11 1.07 -1.81 -1.89 0.00 0.00 176.35 174.13 1wfo s ASP 25 N -1.27 2.18 0.00 3.68 1.01 -1.26 -5.03 116.67 115.98 1wfo s ASP 25 Ca 0.06 1.60 0.00 0.00 0.71 0.00 0.00 52.55 54.92 1wfo s ASP 25 Cb -0.09 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1wfo s ASP 25 CO 0.02 -3.47 0.00 -0.90 0.21 0.00 0.00 175.17 171.03 1wfo n ASP 26 N -4.44 0.00 -4.04 0.27 5.68 -1.23 -5.13 116.55 107.66 1wfo n ASP 26 Ca 0.06 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.99 1wfo n ASP 26 Cb 0.54 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.57 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 -0.84 0.01 -1.54 2.12 0.24 -1.26 -4.53 118.33 112.53 1wfo n VAL 27 Ca 0.00 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.53 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 -2.16 -2.14 0.00 0.00 176.83 172.53 1wfo s PRO 28 N -2.03 1.29 0.00 7.34 0.04 -1.23 -4.85 135.00 135.55 1wfo s PRO 28 Ca 0.42 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1wfo s PRO 28 Cb -0.20 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1wfo s PRO 28 CO 0.81 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 176.15 1wfo n GLY 29 N -2.21 -0.19 3.74 0.56 0.00 -1.22 -2.03 105.19 103.84 1wfo n GLY 29 Ca 0.07 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.22 4.57 -0.46 1.61 0.04 -1.26 -4.12 135.00 133.15 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 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.27 1wfo s PRO 30 CO 0.00 0.03 1.45 -1.25 0.04 0.00 0.00 177.00 177.27 1wfo s PRO 31 N -0.26 3.44 0.50 0.56 0.04 -1.26 -4.74 135.00 133.28 1wfo s PRO 31 Ca 0.50 0.79 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 1wfo s PRO 31 Cb -0.30 -4.08 -0.01 0.00 0.04 0.00 0.00 34.50 30.15 1wfo s PRO 31 CO 0.35 -1.74 0.78 0.00 0.04 0.00 0.00 177.00 176.43 1wfo s MET 32 N 5.23 3.20 0.00 4.56 0.23 -1.26 -4.55 119.30 126.72 1wfo s MET 32 Ca 0.59 -0.07 0.00 0.00 -1.03 0.00 0.00 55.69 55.18 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 0.30 -0.37 0.00 0.41 -2.03 0.00 0.00 175.02 173.33 1wfo n GLY 33 N -2.30 0.68 3.63 3.16 0.00 -1.26 -2.52 105.19 106.57 1wfo n GLY 33 Ca 0.02 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.27 5.07 0.01 -0.61 -1.09 -1.26 -3.81 121.20 117.24 1wfo s ILE 34 Ca 0.00 0.90 -0.07 0.00 -2.23 0.00 0.00 60.65 59.25 1wfo s ILE 34 Cb 0.00 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1wfo s ILE 34 CO 0.00 0.10 0.13 -0.76 -1.23 0.00 0.00 174.94 173.18 1wfo s LEU 35 N 2.19 1.58 -0.64 2.97 1.43 -0.88 -5.02 118.68 120.31 1wfo s LEU 35 Ca 0.22 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1wfo s LEU 35 Cb -0.16 0.66 0.16 0.00 0.03 0.00 0.00 46.19 46.89 1wfo s LEU 35 CO 0.09 -0.38 0.44 -0.36 0.23 0.00 0.00 176.35 176.37 1wfo s PHE 36 N -1.45 3.40 0.08 0.29 0.08 -1.26 -1.10 117.98 118.02 1wfo s PHE 36 Ca -0.14 -2.89 -0.14 0.00 0.12 0.00 0.00 56.93 53.88 1wfo s PHE 36 Cb -0.07 -3.09 -0.20 0.00 -0.57 0.00 0.00 43.02 39.08 1wfo s PHE 36 CO 0.01 -0.79 1.23 -1.00 -0.10 0.00 0.00 175.22 174.57 1wfo h PRO 37 N 6.71 0.74 -5.02 0.24 0.13 -1.94 -3.43 132.00 129.43 1wfo h PRO 37 Ca -0.00 -0.72 -0.67 0.00 -0.87 0.00 0.00 66.00 63.74 1wfo h PRO 37 Cb 0.91 0.19 -0.35 0.00 0.13 0.00 0.00 31.00 31.88 1wfo h PRO 37 CO 0.72 1.30 -0.84 -2.00 -0.23 0.00 0.00 178.00 176.95 1wfo s GLU 38 N -3.48 2.85 -0.10 0.86 2.12 -1.08 -5.06 118.70 114.81 1wfo s GLU 38 Ca -0.10 -0.93 -0.03 0.00 0.36 0.00 0.00 54.97 54.27 1wfo s GLU 38 Cb 0.07 -2.66 0.05 0.00 0.26 0.00 0.00 34.13 31.86 1wfo s GLU 38 CO 0.92 -0.29 0.16 0.08 -0.54 0.00 0.00 175.26 175.59 1wfo s VAL 39 N 1.26 -0.25 0.00 3.70 1.01 -1.26 0.14 120.40 125.01 1wfo s VAL 39 Ca 0.02 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1wfo s VAL 39 Cb -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1wfo s VAL 39 CO -0.11 0.08 0.00 0.54 0.00 0.00 0.00 175.10 175.61 1wfo n ARG 40 N 5.32 2.07 0.00 2.72 5.12 0.53 -4.67 116.66 127.75 1wfo n ARG 40 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1wfo n ARG 40 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1wfo n ARG 40 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1wfo n THR 41 N -0.37 0.00 -0.41 0.55 -2.24 -1.26 -3.10 114.28 107.44 1wfo n THR 41 Ca 0.00 0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 62.09 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 -0.87 2.36 -3.60 4.28 -2.24 -1.25 -3.96 114.28 109.00 1wfo n THR 42 Ca 0.00 -1.20 -0.09 0.00 -2.27 0.00 0.00 64.05 60.49 1wfo n THR 42 Cb 0.00 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 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 -0.47 -0.34 0.26 3.42 0.15 -1.26 -1.09 113.70 114.36 1wfo s SER 43 Ca 0.36 0.48 -0.13 0.00 0.70 0.00 0.00 55.95 57.37 1wfo s SER 43 Cb 0.30 0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1wfo s SER 43 CO 0.07 -0.24 0.50 0.68 1.20 0.00 0.00 173.24 175.45 1wfo s VAL 44 N -0.65 0.00 -0.26 4.45 -7.23 0.15 0.20 120.40 117.06 1wfo s VAL 44 Ca 0.01 -1.38 -0.04 0.00 -1.81 0.00 0.00 61.98 58.76 1wfo s VAL 44 Cb -0.02 -2.23 0.14 0.00 0.56 0.00 0.00 36.38 34.83 1wfo s VAL 44 CO -0.02 0.00 0.50 -0.60 -0.31 0.00 0.00 175.10 174.67 1wfo s ARG 45 N -3.92 0.45 0.42 4.82 3.52 0.38 0.75 118.95 125.38 1wfo s ARG 45 Ca 0.22 0.95 0.08 0.00 -0.13 0.00 0.00 55.73 56.85 1wfo s ARG 45 Cb -0.01 0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.61 1wfo s ARG 45 CO 0.10 -0.47 0.35 -0.48 -0.81 0.00 0.00 175.30 173.99 1wfo s LEU 46 N 2.72 3.31 -0.03 -0.88 2.34 -1.03 -2.62 118.68 122.49 1wfo s LEU 46 Ca 0.09 -0.82 -0.01 0.00 0.06 0.00 0.00 54.13 53.45 1wfo s LEU 46 Cb -0.14 -1.91 0.03 0.00 -0.56 0.00 0.00 46.19 43.61 1wfo s LEU 46 CO -0.17 -0.66 0.05 0.27 -1.06 0.00 0.00 176.35 174.77 1wfo s ILE 47 N -2.51 -0.08 0.28 1.48 -0.00 -0.26 -2.24 121.20 117.88 1wfo s ILE 47 Ca 0.47 0.27 0.01 0.00 -0.00 0.00 0.00 60.65 61.39 1wfo s ILE 47 Cb -0.02 -0.11 0.01 0.00 -0.00 0.00 0.00 42.46 42.33 1wfo s ILE 47 CO 0.27 0.11 0.05 -2.67 -0.00 0.00 0.00 174.94 172.70 1wfo n TRP 48 N 4.48 0.31 -4.18 1.37 2.14 0.14 -2.08 117.44 119.62 1wfo n TRP 48 Ca -0.21 -1.36 -0.11 0.00 2.07 0.00 0.00 57.50 57.89 1wfo n TRP 48 Cb 0.50 -0.20 -0.10 0.00 -0.81 0.00 0.00 31.31 30.70 1wfo n TRP 48 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1wfo s GLN 49 N -3.06 0.92 0.49 -2.67 -0.21 -1.05 -4.64 119.66 109.44 1wfo s GLN 49 Ca 0.03 -1.41 -0.20 0.00 0.02 0.00 0.00 55.36 53.80 1wfo s GLN 49 Cb -0.00 -0.11 -0.08 0.00 1.00 0.00 0.00 33.01 33.82 1wfo s GLN 49 CO 0.02 -0.11 1.04 -1.25 -2.12 0.00 0.00 175.29 172.87 1wfo s PRO 50 N -3.91 3.80 -0.08 2.91 0.04 -1.26 -4.01 135.00 132.49 1wfo s PRO 50 Ca 0.17 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 1wfo s PRO 50 Cb 0.06 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1wfo s PRO 50 CO -0.01 -0.43 1.24 -1.25 0.04 0.00 0.00 177.00 176.58 1wfo s PRO 51 N -3.23 4.31 0.57 0.56 0.04 -1.26 -4.73 135.00 131.25 1wfo s PRO 51 Ca 0.67 1.69 0.32 0.00 0.04 0.00 0.00 61.00 63.73 1wfo s PRO 51 Cb -0.16 -3.62 1.44 0.00 0.04 0.00 0.00 34.50 32.20 1wfo s PRO 51 CO 0.20 -0.53 1.78 0.00 0.04 0.00 0.00 177.00 178.48 1wfo h ALA 52 N 7.71 2.75 -3.17 8.56 0.00 -1.94 -2.81 119.26 130.36 1wfo h ALA 52 Ca -0.32 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 53.90 1wfo h ALA 52 Cb 1.15 0.07 -0.39 0.00 0.00 0.00 0.00 17.79 18.61 1wfo h ALA 52 CO 0.91 -1.22 -0.49 0.00 0.00 0.00 0.00 179.25 178.46 1wfo s ALA 53 N -4.76 3.66 0.16 0.00 0.00 -1.26 -4.90 121.76 114.66 1wfo s ALA 53 Ca -0.04 -3.55 -0.01 0.00 0.00 0.00 0.00 51.96 48.36 1wfo s ALA 53 Cb 0.19 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 1wfo s ALA 53 CO 0.67 -2.08 1.38 -1.00 0.00 0.00 0.00 175.76 174.73 1wfo h PRO 54 N 6.16 0.33 -7.10 0.00 0.13 -1.90 -3.24 132.00 126.39 1wfo h PRO 54 Ca 0.04 -0.32 -0.61 0.00 -0.87 0.00 0.00 66.00 64.23 1wfo h PRO 54 Cb 0.85 0.08 -0.31 0.00 0.13 0.00 0.00 31.00 31.75 1wfo h PRO 54 CO 0.73 1.00 -0.92 0.09 -0.23 0.00 0.00 178.00 178.67 1wfo n ASN 55 N -3.75 -1.26 0.00 1.44 3.02 -1.26 -3.58 115.26 109.87 1wfo n ASN 55 Ca -0.05 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1wfo n ASN 55 Cb 0.78 -1.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 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 -1.51 3.62 3.61 7.41 0.00 -1.26 -3.48 105.19 113.58 1wfo n GLY 56 Ca -0.01 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.25 3.04 0.31 -0.61 1.09 -1.26 -4.89 121.20 118.62 1wfo s ILE 57 Ca 0.00 0.04 -0.30 0.00 -1.10 0.00 0.00 60.65 59.30 1wfo s ILE 57 Cb 0.00 -3.05 -0.12 0.00 -1.06 0.00 0.00 42.46 38.23 1wfo s ILE 57 CO 0.00 -0.02 1.47 -0.38 -0.10 0.00 0.00 174.94 175.90 1wfo n ILE 58 N 7.23 1.39 -0.02 2.92 2.08 -1.26 -4.51 119.36 127.19 1wfo n ILE 58 Ca 0.27 -0.35 0.02 0.00 0.56 0.00 0.00 62.75 63.25 1wfo n ILE 58 Cb 0.44 -1.77 -0.08 0.00 -0.75 0.00 0.00 39.64 37.48 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 1.55 0.00 0.00 1.39 4.77 0.48 -4.79 117.00 120.40 1wfo n LEU 59 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1wfo n LEU 59 Cb 0.36 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1wfo n LEU 59 CO 0.63 0.08 0.00 0.00 -1.33 0.00 0.00 177.39 176.77 1wfo n ALA 60 N -2.02 0.00 -2.41 -1.18 0.00 -1.08 -3.39 120.51 110.43 1wfo n ALA 60 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1wfo n ALA 60 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.93 1.09 -0.01 0.00 1.51 0.20 0.10 117.35 117.31 1wfo s TYR 61 Ca 0.00 -1.30 0.01 0.00 -1.01 0.00 0.00 57.07 54.78 1wfo s TYR 61 Cb 0.00 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.42 1wfo s TYR 61 CO 0.00 -0.75 -0.05 -1.14 -1.11 0.00 0.00 175.55 172.50 1wfo s GLN 62 N -4.00 0.45 -0.20 -0.62 0.74 0.23 0.19 119.66 116.44 1wfo s GLN 62 Ca 0.36 -0.15 -0.01 0.00 0.05 0.00 0.00 55.36 55.61 1wfo s GLN 62 Cb 0.05 -0.45 0.05 0.00 1.10 0.00 0.00 33.01 33.76 1wfo s GLN 62 CO 0.14 0.07 -0.03 0.42 -0.55 0.00 0.00 175.29 175.34 1wfo s ILE 63 N 0.10 1.13 -0.18 -2.34 1.01 0.98 -0.33 121.20 121.56 1wfo s ILE 63 Ca -0.01 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.72 1wfo s ILE 63 Cb -0.04 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1wfo s ILE 63 CO -0.00 -0.07 0.03 0.42 0.00 0.00 0.00 174.94 175.32 1wfo s THR 64 N 1.59 4.39 -0.02 2.92 -4.23 -0.31 -1.80 115.64 118.19 1wfo s THR 64 Ca -0.03 -0.17 0.06 0.00 -1.18 0.00 0.00 61.69 60.38 1wfo s THR 64 Cb -0.17 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 1wfo s THR 64 CO -0.07 0.45 -0.22 -1.38 -0.54 0.00 0.00 174.62 172.87 1wfo s HIS 65 N 0.57 1.95 -0.03 3.99 -3.43 -1.23 -0.42 115.29 116.70 1wfo s HIS 65 Ca 0.01 -0.39 -0.29 0.00 -0.80 0.00 0.00 55.06 53.59 1wfo s HIS 65 Cb -0.13 -1.26 0.08 0.00 -1.43 0.00 0.00 32.58 29.84 1wfo s HIS 65 CO 0.02 -0.05 0.73 -0.98 -2.00 0.00 0.00 174.74 172.46 1wfo s ARG 66 N -0.46 1.01 -0.43 -0.38 1.70 -1.18 -3.21 118.95 116.00 1wfo s ARG 66 Ca 0.07 0.08 -0.29 0.00 -0.47 0.00 0.00 55.73 55.12 1wfo s ARG 66 Cb -0.09 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1wfo s ARG 66 CO -0.00 -0.35 1.45 -0.51 -1.08 0.00 0.00 175.30 174.80 1wfo s LEU 67 N -1.53 3.55 0.61 -1.89 1.43 -1.26 -0.85 118.68 118.74 1wfo s LEU 67 Ca -0.06 0.77 0.26 0.00 -1.03 0.00 0.00 54.13 54.07 1wfo s LEU 67 Cb -0.00 -3.46 1.23 0.00 0.03 0.00 0.00 46.19 43.99 1wfo s LEU 67 CO 0.03 -1.51 1.66 -1.13 0.23 0.00 0.00 176.35 175.63 1wfo h ASN 68 N 10.98 0.00 -0.38 2.29 -1.24 -1.58 -3.41 115.58 122.24 1wfo h ASN 68 Ca -0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.73 1wfo h ASN 68 Cb 1.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1wfo h ASN 68 CO 1.10 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 177.59 1wfo n THR 69 N -3.36 0.00 -1.12 -3.57 -2.24 -1.26 -5.10 114.28 97.63 1wfo n THR 69 Ca 0.11 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.02 1wfo n THR 69 Cb 0.91 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 1wfo n THR 69 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1wfo n THR 70 N 0.00 0.00 -1.27 4.28 5.66 -1.26 -4.64 114.28 117.04 1wfo n THR 70 Ca 0.00 0.20 -0.50 0.00 -3.05 0.00 0.00 64.05 60.70 1wfo n THR 70 Cb 0.00 -0.55 -0.06 0.00 -1.55 0.00 0.00 70.33 68.17 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 -3.44 0.14 -4.74 1.09 -2.24 -1.26 -4.92 114.28 98.91 1wfo n THR 71 Ca -0.01 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1wfo n THR 71 Cb 0.63 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.73 1wfo n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfo s ALA 72 N -0.07 2.78 -0.33 6.98 0.00 -1.26 -4.87 121.76 124.99 1wfo s ALA 72 Ca 0.76 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1wfo s ALA 72 Cb -1.06 -1.16 0.19 0.00 0.00 0.00 0.00 23.12 21.09 1wfo s ALA 72 CO 0.49 0.45 0.79 1.21 0.00 0.00 0.00 175.76 178.69 1wfo s ASN 73 N -0.37 -1.10 0.22 0.00 2.47 -1.26 -5.14 114.94 109.76 1wfo s ASN 73 Ca 0.04 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.13 1wfo s ASN 73 Cb -0.12 1.55 0.00 0.00 -1.45 0.00 0.00 41.25 41.22 1wfo s ASN 73 CO 0.02 -0.16 0.00 0.35 -3.72 0.00 0.00 177.10 173.59 1wfo n THR 74 N 4.73 0.00 -4.22 -5.21 -2.24 -1.26 -4.85 114.28 101.23 1wfo n THR 74 Ca 0.08 0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.79 1wfo n THR 74 Cb 0.57 -0.43 -0.17 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.79 1.26 -0.70 6.98 0.00 -1.26 -4.95 121.76 120.30 1wfo s ALA 75 Ca 0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 1wfo s ALA 75 Cb 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 23.12 22.30 1wfo s ALA 75 CO 0.00 -0.16 2.24 0.99 0.00 0.00 0.00 175.76 178.83 1wfo s THR 76 N 1.20 3.14 0.26 0.00 2.01 -1.20 -4.84 115.64 116.21 1wfo s THR 76 Ca -0.05 -0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 1wfo s THR 76 Cb -0.14 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 1wfo s THR 76 CO -0.03 -0.33 0.81 -0.69 -0.69 0.00 0.00 174.62 173.70 1wfo s VAL 77 N 12.30 4.42 -0.02 3.82 1.01 -1.26 -3.48 120.40 137.19 1wfo s VAL 77 Ca 0.86 1.52 0.01 0.00 0.00 0.00 0.00 61.98 64.37 1wfo s VAL 77 Cb -0.13 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1wfo s VAL 77 CO 0.14 0.21 -0.03 -0.70 0.00 0.00 0.00 175.10 174.71 1wfo s GLU 78 N -1.94 0.45 -0.17 2.72 2.12 -0.74 -4.98 118.70 116.15 1wfo s GLU 78 Ca 0.45 -0.06 -0.14 0.00 0.36 0.00 0.00 54.97 55.58 1wfo s GLU 78 Cb -0.18 -0.51 -0.05 0.00 0.26 0.00 0.00 34.13 33.66 1wfo s GLU 78 CO 0.22 -0.03 0.29 0.08 -0.54 0.00 0.00 175.26 175.29 1wfo s VAL 79 N 0.53 5.30 0.45 3.70 1.01 -1.26 -0.02 120.40 130.11 1wfo s VAL 79 Ca -0.06 0.53 0.07 0.00 0.00 0.00 0.00 61.98 62.52 1wfo s VAL 79 Cb -0.09 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1wfo s VAL 79 CO -0.01 0.37 0.31 -0.76 0.00 0.00 0.00 175.10 175.01 1wfo s LEU 80 N 0.60 3.10 0.80 3.92 1.43 0.51 -4.92 118.68 124.12 1wfo s LEU 80 Ca 0.16 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 1wfo s LEU 80 Cb -0.13 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.57 1wfo s LEU 80 CO 0.04 -0.73 1.14 0.00 0.23 0.00 0.00 176.35 177.03 1wfo s ALA 81 N -2.60 2.48 -2.00 4.21 0.00 -1.26 -0.63 121.76 121.95 1wfo s ALA 81 Ca 0.41 -0.48 0.24 0.00 0.00 0.00 0.00 51.96 52.13 1wfo s ALA 81 Cb -0.00 -3.01 1.42 0.00 0.00 0.00 0.00 23.12 21.53 1wfo s ALA 81 CO 0.24 -1.67 1.79 -0.35 0.00 0.00 0.00 175.76 175.77 1wfo n PRO 82 N -3.35 0.75 -1.13 0.00 -0.04 -1.22 -2.51 135.00 127.49 1wfo n PRO 82 Ca 0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1wfo n PRO 82 Cb 0.59 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.00 2.25 -4.36 3.54 2.88 -1.26 -4.83 113.62 110.84 1wfo n SER 83 Ca 0.18 -3.50 -0.38 0.00 -1.33 0.00 0.00 58.87 53.84 1wfo n SER 83 Cb 0.08 -0.45 -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 -2.86 3.16 -0.10 -1.46 0.00 -1.05 -4.92 121.76 114.53 1wfo s ALA 84 Ca 0.39 -1.56 0.20 0.00 0.00 0.00 0.00 51.96 51.00 1wfo s ALA 84 Cb 0.38 -2.33 -0.27 0.00 0.00 0.00 0.00 23.12 20.90 1wfo s ALA 84 CO -0.06 -1.11 0.45 0.54 0.00 0.00 0.00 175.76 175.58 1wfo n ARG 85 N 4.91 0.66 -4.52 0.00 5.12 -1.26 -4.94 116.66 116.63 1wfo n ARG 85 Ca -0.13 -0.08 -0.25 0.00 -1.93 0.00 0.00 57.85 55.46 1wfo n ARG 85 Cb 0.47 -1.58 -0.09 0.00 -1.16 0.00 0.00 32.46 30.11 1wfo n ARG 85 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1wfo s GLN 86 N -3.16 1.87 -0.11 5.56 1.11 -1.26 0.24 119.66 123.91 1wfo s GLN 86 Ca -0.07 -2.11 -0.30 0.00 0.01 0.00 0.00 55.36 52.89 1wfo s GLN 86 Cb 0.11 -0.82 0.08 0.00 -1.01 0.00 0.00 33.01 31.37 1wfo s GLN 86 CO 0.87 -0.36 0.73 -0.47 0.01 0.00 0.00 175.29 176.07 1wfo s TYR 87 N -3.19 -0.65 -0.16 0.91 5.04 -0.95 -4.98 117.35 113.36 1wfo s TYR 87 Ca 0.26 1.23 -0.03 0.00 -2.44 0.00 0.00 57.07 56.09 1wfo s TYR 87 Cb 0.05 0.39 -0.02 0.00 0.35 0.00 0.00 41.96 42.73 1wfo s TYR 87 CO 0.14 -0.53 -0.07 0.99 -1.34 0.00 0.00 175.55 174.74 1wfo s THR 88 N -0.86 3.49 -0.21 4.34 2.01 -1.26 -2.47 115.64 120.69 1wfo s THR 88 Ca -0.08 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.38 1wfo s THR 88 Cb -0.01 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1wfo s THR 88 CO 0.07 0.49 0.02 0.00 -0.69 0.00 0.00 174.62 174.50 1wfo s ALA 89 N 0.64 3.09 0.12 7.40 0.00 0.23 -4.97 121.76 128.26 1wfo s ALA 89 Ca -0.04 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1wfo s ALA 89 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1wfo s ALA 89 CO 0.03 -0.16 -0.18 0.95 0.00 0.00 0.00 175.76 176.39 1wfo s THR 90 N 1.02 1.61 0.00 0.00 -4.23 -1.26 0.34 115.64 113.12 1wfo s THR 90 Ca 0.02 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1wfo s THR 90 Cb -0.14 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.11 1wfo s THR 90 CO 0.02 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1wfo n GLY 91 N 0.77 0.75 3.51 3.99 0.00 -0.25 -4.96 105.19 109.01 1wfo n GLY 91 Ca -0.17 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.55 2.65 -0.18 0.99 1.43 -1.04 -5.00 118.68 114.98 1wfo s LEU 92 Ca 0.00 -1.22 -0.10 0.00 -1.03 0.00 0.00 54.13 51.78 1wfo s LEU 92 Cb 0.00 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 1wfo s LEU 92 CO 0.00 -0.28 0.16 -0.75 0.23 0.00 0.00 176.35 175.71 1wfo s LYS 93 N -3.66 4.08 0.66 1.70 2.20 -1.26 -3.91 119.74 119.55 1wfo s LYS 93 Ca 0.32 -0.16 -0.12 0.00 -0.36 0.00 0.00 55.97 55.65 1wfo s LYS 93 Cb 0.04 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1wfo s LYS 93 CO 0.15 0.37 1.06 -1.25 -0.36 0.00 0.00 175.35 175.32 1wfo s PRO 94 N 0.13 3.07 -0.92 4.03 0.04 -1.25 -4.02 135.00 136.07 1wfo s PRO 94 Ca 0.10 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 1wfo s PRO 94 Cb -0.11 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1wfo s PRO 94 CO -0.00 -1.00 0.78 0.39 0.04 0.00 0.00 177.00 177.21 1wfo n GLU 95 N -2.82 -5.23 -3.73 4.56 1.02 0.22 -4.97 120.64 109.68 1wfo n GLU 95 Ca 0.08 0.62 -0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1wfo n GLU 95 Cb 0.53 -4.97 -0.01 0.00 -0.02 0.00 0.00 31.44 26.98 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfo n SER 96 N -2.27 -1.63 -4.23 1.62 7.64 -1.25 -4.97 113.62 108.54 1wfo n SER 96 Ca -0.13 -2.66 -0.28 0.00 1.01 0.00 0.00 58.87 56.81 1wfo n SER 96 Cb 0.59 2.87 -0.16 0.00 -1.01 0.00 0.00 64.21 66.50 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 -2.54 1.73 -0.07 0.44 1.01 -1.26 -0.65 120.40 119.06 1wfo s VAL 97 Ca 0.22 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1wfo s VAL 97 Cb -0.02 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1wfo s VAL 97 CO 0.16 0.49 -0.16 -0.31 0.00 0.00 0.00 175.10 175.28 1wfo s TYR 98 N -0.40 1.77 -0.31 5.22 1.51 0.12 -1.37 117.35 123.89 1wfo s TYR 98 Ca 0.05 -0.64 -0.16 0.00 -1.01 0.00 0.00 57.07 55.31 1wfo s TYR 98 Cb -0.09 -1.23 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1wfo s TYR 98 CO 0.00 -0.28 0.44 -1.17 -1.11 0.00 0.00 175.55 173.43 1wfo s LEU 99 N 0.42 4.23 -0.37 -1.29 1.98 -0.03 0.63 118.68 124.25 1wfo s LEU 99 Ca -0.13 0.10 -0.14 0.00 -2.89 0.00 0.00 54.13 51.08 1wfo s LEU 99 Cb -0.15 -2.49 0.00 0.00 0.66 0.00 0.00 46.19 44.21 1wfo s LEU 99 CO 0.04 -0.33 0.26 -0.36 -1.89 0.00 0.00 176.35 174.08 1wfo s PHE 100 N 2.20 3.23 -0.36 5.38 0.40 0.54 -3.09 117.98 126.29 1wfo s PHE 100 Ca 0.16 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 1wfo s PHE 100 Cb -0.16 -2.52 0.01 0.00 0.51 0.00 0.00 43.02 40.86 1wfo s PHE 100 CO 0.11 -0.48 0.22 0.50 0.70 0.00 0.00 175.22 176.27 1wfo s ARG 101 N 1.69 3.12 -0.10 0.44 3.52 0.45 0.10 118.95 128.17 1wfo s ARG 101 Ca 0.05 -0.89 -0.10 0.00 -0.13 0.00 0.00 55.73 54.67 1wfo s ARG 101 Cb -0.18 -3.76 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 1wfo s ARG 101 CO 0.10 -0.59 0.23 0.42 -0.81 0.00 0.00 175.30 174.65 1wfo s ILE 102 N 1.63 5.35 0.09 4.11 1.01 0.16 -1.16 121.20 132.39 1wfo s ILE 102 Ca 0.04 0.42 -0.09 0.00 0.00 0.00 0.00 60.65 61.02 1wfo s ILE 102 Cb -0.18 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1wfo s ILE 102 CO 0.08 0.56 0.20 -0.89 0.00 0.00 0.00 174.94 174.89 1wfo s THR 103 N -0.72 0.14 0.27 2.92 2.01 0.55 0.45 115.64 121.27 1wfo s THR 103 Ca 0.17 -1.14 0.09 0.00 0.31 0.00 0.00 61.69 61.12 1wfo s THR 103 Cb -0.13 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1wfo s THR 103 CO 0.06 -0.63 0.02 0.00 -0.69 0.00 0.00 174.62 173.37 1wfo s ALA 104 N -3.86 3.21 -0.15 7.40 0.00 -1.26 0.74 121.76 127.84 1wfo s ALA 104 Ca 0.05 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1wfo s ALA 104 Cb 0.05 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1wfo s ALA 104 CO -0.11 0.24 -0.14 -1.14 0.00 0.00 0.00 175.76 174.61 1wfo s GLN 105 N -3.70 2.31 0.00 0.00 0.74 0.29 -3.72 119.66 115.58 1wfo s GLN 105 Ca 0.32 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 55.13 1wfo s GLN 105 Cb -0.06 -2.16 0.00 0.00 1.10 0.00 0.00 33.01 31.89 1wfo s GLN 105 CO 0.20 -0.25 0.00 0.25 -0.55 0.00 0.00 175.29 174.94 1wfo n THR 106 N 4.76 0.00 0.34 -0.34 -2.24 -0.29 0.18 114.28 116.69 1wfo n THR 106 Ca -0.17 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1wfo n THR 106 Cb 0.50 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.25 1wfo n THR 106 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wfo h ARG 107 N 0.00 0.00 0.14 -0.78 0.11 -1.94 -3.01 114.38 108.89 1wfo h ARG 107 Ca 0.00 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.76 1wfo h ARG 107 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 1wfo h ARG 107 CO 0.00 0.00 -1.65 0.87 0.10 0.00 0.00 179.97 179.29 1wfo h LYS 108 N 0.00 0.30 0.00 0.08 1.79 -1.95 -3.51 116.57 113.28 1wfo h LYS 108 Ca 0.00 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1wfo h LYS 108 Cb 0.57 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1wfo h LYS 108 CO 0.00 1.24 0.00 0.41 -1.08 0.00 0.00 179.45 180.02 1wfo n GLY 109 N 1.83 0.10 3.37 3.86 0.00 -1.14 -4.94 105.19 108.26 1wfo n GLY 109 Ca -0.27 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 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 -4.00 3.23 0.00 1.61 0.52 -1.26 -1.14 118.94 117.90 1wfo s TRP 110 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 56.10 55.15 1wfo s TRP 110 Cb 0.00 -2.39 0.00 0.00 -1.15 0.00 0.00 33.47 29.93 1wfo s TRP 110 CO 0.00 -0.62 0.00 0.41 0.02 0.00 0.00 176.95 176.76 1wfo n GLY 111 N 4.96 0.62 3.35 0.98 0.00 -1.24 -4.99 105.19 108.86 1wfo n GLY 111 Ca -0.12 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.73 -4.02 1.61 2.13 -0.86 -4.80 120.64 113.97 1wfo n GLU 112 Ca 0.00 -0.18 -0.15 0.00 0.66 0.00 0.00 57.16 57.49 1wfo n GLU 112 Cb 0.00 -1.76 -0.14 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 -2.32 0.25 -0.25 4.31 0.00 -1.26 -4.36 121.76 118.14 1wfo s ALA 113 Ca 0.56 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 1wfo s ALA 113 Cb -0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1wfo s ALA 113 CO 0.68 0.04 0.40 0.00 0.00 0.00 0.00 175.76 176.88 1wfo s ALA 114 N 0.07 3.57 -0.23 0.00 0.00 0.17 -4.81 121.76 120.53 1wfo s ALA 114 Ca -0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1wfo s ALA 114 Cb -0.03 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 1wfo s ALA 114 CO -0.00 -0.58 0.17 -1.21 0.00 0.00 0.00 175.76 174.14 1wfo s GLU 115 N 1.91 4.09 -0.05 0.00 2.02 -1.26 0.37 118.70 125.78 1wfo s GLU 115 Ca 0.17 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.92 1wfo s GLU 115 Cb -0.15 -3.53 0.03 0.00 0.10 0.00 0.00 34.13 30.58 1wfo s GLU 115 CO 0.09 0.08 0.02 0.00 0.02 0.00 0.00 175.26 175.47 1wfo s ALA 116 N 1.00 0.43 0.21 5.21 0.00 0.11 -4.94 121.76 123.79 1wfo s ALA 116 Ca 0.08 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 1wfo s ALA 116 Cb -0.13 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 1wfo s ALA 116 CO 0.04 -0.32 0.56 -0.51 0.00 0.00 0.00 175.76 175.53 1wfo s LEU 117 N 1.67 4.22 -0.15 0.00 1.43 -1.26 0.20 118.68 124.80 1wfo s LEU 117 Ca -0.01 1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 54.03 1wfo s LEU 117 Cb -0.13 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.59 1wfo s LEU 117 CO -0.03 -0.02 0.35 0.54 0.23 0.00 0.00 176.35 177.42 1wfo s VAL 118 N -1.70 -0.11 0.37 -1.59 0.11 0.20 -4.92 120.40 112.77 1wfo s VAL 118 Ca 0.44 0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 59.50 1wfo s VAL 118 Cb -0.13 -0.54 -0.07 0.00 -1.53 0.00 0.00 36.38 34.12 1wfo s VAL 118 CO 0.20 0.05 0.74 -0.69 -3.33 0.00 0.00 175.10 172.08 1wfo s VAL 119 N 1.53 4.76 -0.34 2.04 1.01 -1.26 0.15 120.40 128.29 1wfo s VAL 119 Ca -0.08 0.71 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 1wfo s VAL 119 Cb -0.10 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1wfo s VAL 119 CO -0.11 -0.39 0.16 0.42 0.00 0.00 0.00 175.10 175.18 1wfo s THR 120 N -2.21 4.43 -0.05 3.92 -4.23 0.17 -4.83 115.64 112.84 1wfo s THR 120 Ca 0.52 -0.69 -0.31 0.00 -1.18 0.00 0.00 61.69 60.02 1wfo s THR 120 Cb -0.10 -3.37 0.13 0.00 1.34 0.00 0.00 72.50 70.50 1wfo s THR 120 CO 0.26 -0.07 1.32 0.28 -0.54 0.00 0.00 174.62 175.87 1wfo s THR 121 N 1.56 0.00 -0.09 3.99 -1.32 -1.18 0.68 115.64 119.28 1wfo s THR 121 Ca 0.03 -0.16 0.15 0.00 -1.21 0.00 0.00 61.69 60.50 1wfo s THR 121 Cb -0.18 -1.91 -0.20 0.00 -1.51 0.00 0.00 72.50 68.70 1wfo s THR 121 CO 0.06 0.00 0.64 -0.62 -2.21 0.00 0.00 174.62 172.48 1wfo n GLU 122 N -0.45 0.64 -2.60 7.08 1.02 -1.26 -4.37 120.64 120.69 1wfo n GLU 122 Ca -0.08 0.22 -0.36 0.00 -0.02 0.00 0.00 57.16 56.92 1wfo n GLU 122 Cb 0.63 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 30.24 1wfo n GLU 122 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wfo s LYS 123 N -2.72 4.24 -0.14 3.49 1.02 -1.26 -4.98 119.74 119.39 1wfo s LYS 123 Ca -0.05 1.46 -0.29 0.00 0.02 0.00 0.00 55.97 57.11 1wfo s LYS 123 Cb 0.08 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1wfo s LYS 123 CO 0.82 -0.06 1.32 1.03 -0.92 0.00 0.00 175.35 177.55 1wfo s ARG 124 N -2.45 4.23 -0.24 1.68 0.52 -1.26 -4.99 118.95 116.43 1wfo s ARG 124 Ca 0.57 1.75 -0.02 0.00 -0.52 0.00 0.00 55.73 57.51 1wfo s ARG 124 Cb -0.21 -3.79 0.08 0.00 0.52 0.00 0.00 34.95 31.55 1wfo s ARG 124 CO 0.26 -0.72 0.05 0.45 0.02 0.00 0.00 175.30 175.36 1wfo s SER 125 N 2.17 3.46 -0.30 0.23 0.15 -1.26 -5.06 113.70 113.09 1wfo s SER 125 Ca 0.58 -1.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.00 1wfo s SER 125 Cb -0.24 -0.76 0.19 0.00 -1.71 0.00 0.00 66.02 63.51 1wfo s SER 125 CO 0.17 -0.34 0.87 -0.83 1.20 0.00 0.00 173.24 174.31 1wfo s GLY 126 N 1.72 -0.97 0.96 9.45 0.00 -1.26 -4.92 107.32 112.30 1wfo s GLY 126 Ca 0.03 1.84 -0.14 0.00 0.00 0.00 0.00 44.72 46.45 1wfo s GLY 126 CO -0.15 3.88 1.16 2.56 0.00 0.00 0.00 173.10 180.55 1wfo s PRO 127 N 2.91 0.77 0.01 2.90 0.04 -1.26 -5.06 135.00 135.31 1wfo s PRO 127 Ca 0.18 0.15 -0.05 0.00 0.04 0.00 0.00 61.00 61.32 1wfo s PRO 127 Cb -0.07 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1wfo s PRO 127 CO -0.22 -2.42 0.23 -1.12 0.04 0.00 0.00 177.00 173.51 1wfo s SER 128 N -4.12 6.43 0.41 6.66 0.01 -1.26 -5.11 113.70 116.72 1wfo s SER 128 Ca 0.66 0.45 0.06 0.00 1.31 0.00 0.00 55.95 58.44 1wfo s SER 128 Cb -0.13 -2.05 -0.07 0.00 0.21 0.00 0.00 66.02 63.98 1wfo s SER 128 CO 0.54 0.25 0.01 -0.44 0.41 0.00 0.00 173.24 174.01 1wfo s SER 129 N -1.85 3.80 0.00 2.44 0.01 -1.26 -5.37 113.70 111.48 1wfo s SER 129 Ca 0.28 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1wfo s SER 129 Cb -0.13 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1wfo s SER 129 CO 0.18 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.95