#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wln s SER 2 N 0.00 4.15 -0.48 1.61 0.15 -1.26 -5.07 113.70 112.81 1wln s SER 2 Ca 0.00 -2.67 -0.19 0.00 0.70 0.00 0.00 55.95 53.79 1wln s SER 2 Cb 0.00 -1.39 0.04 0.00 -1.71 0.00 0.00 66.02 62.96 1wln s SER 2 CO 0.00 -0.28 0.59 -0.55 1.20 0.00 0.00 173.24 174.20 1wln s SER 3 N 0.22 6.24 0.00 5.45 0.15 -1.26 -5.01 113.70 119.49 1wln s SER 3 Ca 0.16 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1wln s SER 3 Cb -0.24 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wln s SER 3 CO -0.03 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1wln n GLY 4 N 5.13 6.60 3.72 9.45 0.00 -1.26 -5.15 105.19 123.68 1wln n GLY 4 Ca -0.06 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 1wln n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wln n SER 5 N -0.32 -1.03 0.00 1.61 7.64 -1.26 -5.04 113.62 115.21 1wln n SER 5 Ca 0.00 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.55 1wln n SER 5 Cb 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1wln n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wln n SER 6 N -4.40 0.00 0.00 6.43 2.88 -1.26 -5.05 113.62 112.22 1wln n SER 6 Ca 0.16 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1wln n SER 6 Cb 0.59 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1wln n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wln n GLY 7 N 1.72 2.36 0.24 0.46 0.00 -1.26 -5.01 105.19 103.70 1wln n GLY 7 Ca 0.00 0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.48 1wln n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln h PRO 8 N 0.00 0.00 -0.29 1.61 0.13 -2.01 -2.70 132.00 128.74 1wln h PRO 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wln h PRO 8 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wln h PRO 8 CO 0.00 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 176.95 1wln n GLU 9 N -3.12 1.63 -2.73 0.86 0.28 -1.26 -3.78 120.64 112.52 1wln n GLU 9 Ca 0.02 -0.91 -0.10 0.00 -0.16 0.00 0.00 57.16 56.01 1wln n GLU 9 Cb 0.43 -1.23 0.02 0.00 1.43 0.00 0.00 31.44 32.09 1wln n GLU 9 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wln n LYS 10 N 0.23 1.12 -4.47 3.44 5.02 -1.02 -4.54 118.16 117.94 1wln n LYS 10 Ca 0.08 -3.23 -0.34 0.00 -2.02 0.00 0.00 58.31 52.81 1wln n LYS 10 Cb 0.24 -1.28 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 1wln n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wln s LEU 11 N -3.02 3.27 0.22 -0.35 1.43 -1.25 -4.43 118.68 114.55 1wln s LEU 11 Ca 0.29 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 1wln s LEU 11 Cb 0.44 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 1wln s LEU 11 CO 0.02 0.26 1.10 -2.16 0.23 0.00 0.00 176.35 175.80 1wln s PRO 12 N -0.19 4.61 0.22 1.29 0.04 -1.26 -4.26 135.00 135.45 1wln s PRO 12 Ca 0.03 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.85 1wln s PRO 12 Cb -0.13 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 1wln s PRO 12 CO 0.02 0.13 0.02 1.52 0.04 0.00 0.00 177.00 178.73 1wln s TYR 13 N -0.60 1.44 -0.26 0.56 -0.85 -1.00 0.20 117.35 116.85 1wln s TYR 13 Ca 0.47 -1.00 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 1wln s TYR 13 Cb -0.30 -0.84 0.05 0.00 0.38 0.00 0.00 41.96 41.25 1wln s TYR 13 CO 0.37 -0.15 -0.09 -0.51 -1.52 0.00 0.00 175.55 173.65 1wln s LEU 14 N -3.26 3.34 -0.58 -3.49 1.43 0.06 -1.45 118.68 114.73 1wln s LEU 14 Ca 0.29 -1.20 -0.20 0.00 -1.03 0.00 0.00 54.13 51.98 1wln s LEU 14 Cb 0.06 -1.59 0.08 0.00 0.03 0.00 0.00 46.19 44.77 1wln s LEU 14 CO 0.08 -0.17 0.75 0.54 0.23 0.00 0.00 176.35 177.78 1wln s VAL 15 N 1.19 4.70 0.11 -1.59 0.11 0.30 -1.36 120.40 123.87 1wln s VAL 15 Ca -0.05 -0.64 -0.34 0.00 -2.93 0.00 0.00 61.98 58.02 1wln s VAL 15 Cb -0.19 -4.48 -0.18 0.00 -1.53 0.00 0.00 36.38 30.00 1wln s VAL 15 CO -0.05 -1.11 0.93 1.21 -3.33 0.00 0.00 175.10 172.75 1wln n GLU 16 N 6.66 0.34 -4.53 1.54 2.13 0.15 -1.88 120.64 125.04 1wln n GLU 16 Ca -0.07 0.12 -0.26 0.00 0.66 0.00 0.00 57.16 57.62 1wln n GLU 16 Cb 0.44 -1.47 -0.10 0.00 0.27 0.00 0.00 31.44 30.58 1wln n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wln s LEU 17 N 1.12 2.71 1.25 4.31 1.43 0.32 -4.44 118.68 125.38 1wln s LEU 17 Ca 0.77 -1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 1wln s LEU 17 Cb -1.04 -1.02 0.30 0.00 0.03 0.00 0.00 46.19 44.46 1wln s LEU 17 CO 0.55 -0.16 0.84 -1.20 0.23 0.00 0.00 176.35 176.61 1wln n SER 18 N -0.76 -2.49 0.00 2.29 7.64 0.13 -4.14 113.62 116.29 1wln n SER 18 Ca -0.05 -0.35 0.11 0.00 1.01 0.00 0.00 58.87 59.59 1wln n SER 18 Cb 0.63 -1.14 0.67 0.00 -1.01 0.00 0.00 64.21 63.36 1wln n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1wln n PRO 19 N -4.77 0.75 -0.00 1.43 -0.04 -1.26 -1.93 135.00 129.18 1wln n PRO 19 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1wln n PRO 19 Cb 0.56 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1wln n PRO 19 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wln n ASP 20 N -0.97 1.63 -1.75 3.54 9.92 -1.26 -4.99 116.55 122.67 1wln n ASP 20 Ca 0.17 -1.83 -0.08 0.00 -0.53 0.00 0.00 54.79 52.52 1wln n ASP 20 Cb 0.08 -0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.58 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wln n GLY 21 N -0.42 0.30 3.44 0.44 0.00 -0.81 -5.05 105.19 103.09 1wln n GLY 21 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1wln n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wln s SER 22 N -3.28 3.02 -0.36 1.61 1.04 -1.26 -4.84 113.70 109.63 1wln s SER 22 Ca 0.12 -1.15 -0.17 0.00 0.48 0.00 0.00 55.95 55.24 1wln s SER 22 Cb -0.06 -0.21 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 1wln s SER 22 CO 0.27 -0.25 0.43 -1.81 0.98 0.00 0.00 173.24 172.86 1wln s ASP 23 N -3.47 6.23 1.16 7.02 1.01 -1.26 0.20 116.67 127.56 1wln s ASP 23 Ca 0.29 -0.25 -0.15 0.00 0.71 0.00 0.00 52.55 53.16 1wln s ASP 23 Cb 0.02 -2.23 0.23 0.00 1.01 0.00 0.00 42.92 41.95 1wln s ASP 23 CO 0.12 -0.44 0.70 -1.20 0.21 0.00 0.00 175.17 174.56 1wln n SER 24 N 5.57 -1.96 -2.02 0.27 7.64 -1.26 -4.84 113.62 117.02 1wln n SER 24 Ca -0.07 -0.15 -0.18 0.00 1.01 0.00 0.00 58.87 59.48 1wln n SER 24 Cb 0.49 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1wln n SER 24 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wln n ARG 25 N -4.05 1.90 -3.80 1.43 5.12 -1.26 -4.84 116.66 111.16 1wln n ARG 25 Ca 0.02 -1.60 -0.05 0.00 -1.93 0.00 0.00 57.85 54.29 1wln n ARG 25 Cb 0.56 -1.72 -0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1wln n ARG 25 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wln s ASP 26 N 0.47 -0.14 -0.19 0.55 1.01 -1.26 -5.11 116.67 112.00 1wln s ASP 26 Ca 0.38 -0.58 -0.29 0.00 0.71 0.00 0.00 52.55 52.77 1wln s ASP 26 Cb 0.26 0.58 -0.04 0.00 1.01 0.00 0.00 42.92 44.73 1wln s ASP 26 CO -0.06 -1.10 1.81 -1.59 0.21 0.00 0.00 175.17 174.44 1wln s LYS 27 N -3.09 3.67 0.60 8.23 -2.85 -1.26 -4.96 119.74 120.07 1wln s LYS 27 Ca 0.14 1.85 -0.15 0.00 -1.00 0.00 0.00 55.97 56.81 1wln s LYS 27 Cb -0.03 -4.14 -0.04 0.00 -2.06 0.00 0.00 37.83 31.57 1wln s LYS 27 CO 0.05 -1.46 1.05 -1.25 0.10 0.00 0.00 175.35 173.83 1wln s PRO 28 N 5.08 3.35 0.31 1.78 0.04 -1.26 -5.00 135.00 139.30 1wln s PRO 28 Ca 0.81 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 1wln s PRO 28 Cb -0.29 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 1wln s PRO 28 CO 0.33 -0.78 1.30 0.21 0.04 0.00 0.00 177.00 178.09 1wln s LYS 29 N -4.19 4.38 0.01 4.56 2.47 -1.26 -4.80 119.74 120.91 1wln s LYS 29 Ca 0.62 2.17 0.08 0.00 -1.56 0.00 0.00 55.97 57.29 1wln s LYS 29 Cb -0.15 -3.09 -0.02 0.00 -1.46 0.00 0.00 37.83 33.10 1wln s LYS 29 CO 0.38 -0.17 -0.25 -1.17 0.16 0.00 0.00 175.35 174.30 1wln s LEU 30 N -1.54 2.10 -0.34 5.43 2.96 -1.26 0.31 118.68 126.35 1wln s LEU 30 Ca 0.50 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1wln s LEU 30 Cb -0.39 -1.27 0.12 0.00 0.50 0.00 0.00 46.19 45.15 1wln s LEU 30 CO 0.50 0.28 0.16 -0.31 -1.32 0.00 0.00 176.35 175.66 1wln s TYR 31 N -0.68 1.23 0.03 5.38 2.02 -0.46 -4.90 117.35 119.97 1wln s TYR 31 Ca 0.10 -1.65 -0.30 0.00 -0.37 0.00 0.00 57.07 54.85 1wln s TYR 31 Cb -0.10 -1.39 -0.06 0.00 -0.40 0.00 0.00 41.96 40.01 1wln s TYR 31 CO 0.00 -0.84 1.41 1.03 -1.57 0.00 0.00 175.55 175.59 1wln s ARG 32 N 1.37 4.29 -0.78 -0.62 0.52 -1.26 -0.76 118.95 121.70 1wln s ARG 32 Ca 0.13 2.01 -0.21 0.00 -0.52 0.00 0.00 55.73 57.14 1wln s ARG 32 Cb -0.20 -3.50 0.10 0.00 0.52 0.00 0.00 34.95 31.87 1wln s ARG 32 CO -0.17 -0.55 1.04 -0.51 0.02 0.00 0.00 175.30 175.12 1wln s LEU 33 N 2.12 4.69 0.00 2.53 1.43 0.55 -4.94 118.68 125.06 1wln s LEU 33 Ca 0.65 -1.47 -0.22 0.00 -1.03 0.00 0.00 54.13 52.05 1wln s LEU 33 Cb -0.33 -2.41 0.33 0.00 0.03 0.00 0.00 46.19 43.81 1wln s LEU 33 CO 0.28 -1.27 1.00 0.00 0.23 0.00 0.00 176.35 176.59 1wln n GLN 34 N 7.19 -3.81 -1.25 1.70 6.02 -1.26 -4.33 117.38 121.64 1wln n GLN 34 Ca 0.09 -1.63 -0.31 0.00 -0.01 0.00 0.00 57.00 55.14 1wln n GLN 34 Cb 0.47 -1.72 0.09 0.00 1.02 0.00 0.00 30.24 30.10 1wln n GLN 34 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wln s LEU 35 N 0.00 3.01 0.00 1.08 2.01 -1.26 -4.42 118.68 119.09 1wln s LEU 35 Ca 0.69 1.82 0.00 0.00 0.01 0.00 0.00 54.13 56.65 1wln s LEU 35 Cb -0.09 -4.50 0.00 0.00 0.01 0.00 0.00 46.19 41.61 1wln s LEU 35 CO 0.55 -2.07 0.00 -1.20 1.01 0.00 0.00 176.35 174.64 1wln n SER 36 N -3.55 0.00 -4.69 2.29 7.64 -1.26 -4.87 113.62 109.18 1wln n SER 36 Ca 0.09 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 1wln n SER 36 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1wln n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wln s VAL 37 N -2.93 3.35 -0.32 0.44 0.11 -1.26 -4.05 120.40 115.73 1wln s VAL 37 Ca 0.00 0.76 -0.02 0.00 -2.93 0.00 0.00 61.98 59.79 1wln s VAL 37 Cb 0.00 -3.49 0.06 0.00 -1.53 0.00 0.00 36.38 31.42 1wln s VAL 37 CO 0.00 -0.00 0.04 -0.89 -3.33 0.00 0.00 175.10 170.92 1wln s THR 38 N 2.55 3.11 -0.15 5.04 2.01 -0.59 -4.78 115.64 122.83 1wln s THR 38 Ca 0.69 -1.47 -0.27 0.00 0.31 0.00 0.00 61.69 60.95 1wln s THR 38 Cb -0.36 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 1wln s THR 38 CO 0.30 -0.21 0.93 -1.61 -0.69 0.00 0.00 174.62 173.33 1wln s GLU 39 N 1.25 4.34 0.12 4.92 8.01 -1.26 0.63 118.70 136.71 1wln s GLU 39 Ca -0.03 1.21 -0.03 0.00 0.01 0.00 0.00 54.97 56.13 1wln s GLU 39 Cb -0.20 -3.57 -0.05 0.00 -4.31 0.00 0.00 34.13 26.00 1wln s GLU 39 CO -0.01 -0.36 0.32 0.08 0.01 0.00 0.00 175.26 175.30 1wln s VAL 40 N 2.23 5.24 -5.00 2.63 1.01 0.38 -2.55 120.40 124.34 1wln s VAL 40 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1wln s VAL 40 Cb -0.17 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1wln s VAL 40 CO 0.14 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1wln n GLY 41 N 0.12 0.28 0.01 4.51 0.00 -0.97 -0.24 105.19 108.90 1wln n GLY 41 Ca -0.03 -1.33 0.10 0.00 0.00 0.00 0.00 46.02 44.76 1wln n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wln n THR 42 N 9.00 0.00 -3.45 2.61 -2.24 -0.45 0.16 114.28 119.91 1wln n THR 42 Ca 0.00 -0.41 -0.27 0.00 -2.27 0.00 0.00 64.05 61.10 1wln n THR 42 Cb 0.00 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1wln n THR 42 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wln s GLU 43 N -3.30 3.56 -0.37 -0.78 0.41 -1.22 -4.84 118.70 112.16 1wln s GLU 43 Ca -0.06 -0.19 -0.08 0.00 -0.41 0.00 0.00 54.97 54.23 1wln s GLU 43 Cb 0.13 -2.70 0.05 0.00 -1.78 0.00 0.00 34.13 29.82 1wln s GLU 43 CO 0.81 0.24 0.16 0.21 -0.49 0.00 0.00 175.26 176.20 1wln s LYS 44 N -3.73 2.61 -0.21 1.61 2.36 -1.26 -4.83 119.74 116.30 1wln s LYS 44 Ca 0.41 -1.27 -0.16 0.00 -2.55 0.00 0.00 55.97 52.40 1wln s LYS 44 Cb -0.10 -3.59 -0.08 0.00 -1.05 0.00 0.00 37.83 33.01 1wln s LYS 44 CO 0.32 -0.77 -0.34 1.19 1.55 0.00 0.00 175.35 177.29 1wln n PHE 45 N 4.85 0.00 -2.31 4.03 3.01 -1.26 -5.02 117.46 120.77 1wln n PHE 45 Ca -0.11 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.10 1wln n PHE 45 Cb 0.44 -0.65 0.08 0.00 -0.01 0.00 0.00 39.48 39.33 1wln n PHE 45 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wln s ASP 46 N -6.44 4.73 0.06 4.37 2.15 -1.26 -5.01 116.67 115.27 1wln s ASP 46 Ca -0.32 0.26 -0.26 0.00 0.43 0.00 0.00 52.55 52.67 1wln s ASP 46 Cb 0.08 -0.88 -0.17 0.00 -0.30 0.00 0.00 42.92 41.65 1wln s ASP 46 CO 0.44 -1.63 1.60 -0.78 -0.17 0.00 0.00 175.17 174.63 1wln h ASP 47 N -0.54 -0.22 -2.34 -0.34 1.82 -1.95 -3.23 116.42 109.61 1wln h ASP 47 Ca -0.43 -0.07 -0.68 0.00 -0.39 0.00 0.00 57.03 55.46 1wln h ASP 47 Cb 1.30 0.06 -0.36 0.00 0.68 0.00 0.00 39.33 41.00 1wln h ASP 47 CO 0.55 -0.07 -0.02 0.59 -1.61 0.00 0.00 179.24 178.68 1wln n ASN 48 N -5.16 5.31 -4.85 2.28 4.13 -1.26 -5.04 115.26 110.67 1wln n ASN 48 Ca -0.09 -3.60 -0.36 0.00 1.68 0.00 0.00 54.58 52.21 1wln n ASN 48 Cb 0.16 -0.83 -0.06 0.00 -1.54 0.00 0.00 39.78 37.52 1wln n ASN 48 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1wln s SER 49 N -2.52 6.75 0.11 6.41 1.04 -1.22 -4.83 113.70 119.44 1wln s SER 49 Ca 0.42 0.93 -0.31 0.00 0.48 0.00 0.00 55.95 57.48 1wln s SER 49 Cb 0.20 -2.23 -0.08 0.00 0.10 0.00 0.00 66.02 64.01 1wln s SER 49 CO -0.08 0.20 1.34 -0.63 0.98 0.00 0.00 173.24 175.05 1wln s ILE 50 N -1.32 3.44 -0.29 -1.02 1.01 -1.06 -4.97 121.20 116.99 1wln s ILE 50 Ca 0.32 1.05 0.03 0.00 0.00 0.00 0.00 60.65 62.05 1wln s ILE 50 Cb -0.15 -3.67 0.08 0.00 0.01 0.00 0.00 42.46 38.72 1wln s ILE 50 CO 0.17 0.09 -0.05 -1.58 0.00 0.00 0.00 174.94 173.57 1wln s GLN 51 N 0.97 1.94 0.29 2.79 0.74 -1.25 -2.30 119.66 122.84 1wln s GLN 51 Ca 0.63 -1.55 0.09 0.00 0.05 0.00 0.00 55.36 54.57 1wln s GLN 51 Cb -0.35 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1wln s GLN 51 CO 0.31 -0.71 0.10 -0.51 -0.55 0.00 0.00 175.29 173.92 1wln s LEU 52 N 1.03 3.34 -0.06 3.68 1.43 0.41 -4.97 118.68 123.54 1wln s LEU 52 Ca -0.01 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 1wln s LEU 52 Cb -0.20 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1wln s LEU 52 CO -0.06 -0.13 0.02 -0.36 0.23 0.00 0.00 176.35 176.05 1wln s PHE 53 N -2.33 0.45 0.06 0.29 0.08 -1.26 -3.73 117.98 111.55 1wln s PHE 53 Ca 0.34 -0.02 -0.27 0.00 0.12 0.00 0.00 56.93 57.11 1wln s PHE 53 Cb -0.05 -0.68 0.07 0.00 -0.57 0.00 0.00 43.02 41.79 1wln s PHE 53 CO 0.22 -0.28 0.66 0.20 -0.10 0.00 0.00 175.22 175.92 1wln s GLY 54 N 2.02 -0.58 -0.86 4.36 0.00 -1.26 -5.06 107.32 105.94 1wln s GLY 54 Ca 0.05 0.88 -0.25 0.00 0.00 0.00 0.00 44.72 45.40 1wln s GLY 54 CO -0.04 0.50 1.64 2.56 0.00 0.00 0.00 173.10 177.76 1wln s PRO 55 N -2.67 3.03 0.00 2.90 0.04 -1.26 -1.98 135.00 135.06 1wln s PRO 55 Ca -0.03 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.61 1wln s PRO 55 Cb -0.01 -4.87 0.00 0.00 0.04 0.00 0.00 34.50 29.66 1wln s PRO 55 CO -0.04 -2.65 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1wln n GLY 56 N 6.38 0.35 3.84 0.56 0.00 -1.26 -5.03 105.19 110.03 1wln n GLY 56 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 1wln n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wln s ILE 57 N -1.29 4.57 0.49 -0.61 -1.09 -0.84 -4.88 121.20 117.55 1wln s ILE 57 Ca 0.00 1.13 0.05 0.00 -2.23 0.00 0.00 60.65 59.60 1wln s ILE 57 Cb 0.00 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1wln s ILE 57 CO 0.00 -0.46 0.25 -1.10 -1.23 0.00 0.00 174.94 172.40 1wln s GLN 58 N -3.58 2.24 -0.07 2.79 -1.52 -1.26 -4.93 119.66 113.33 1wln s GLN 58 Ca 0.57 -2.03 -0.19 0.00 -1.95 0.00 0.00 55.36 51.76 1wln s GLN 58 Cb -0.10 -1.95 -0.15 0.00 -0.22 0.00 0.00 33.01 30.59 1wln s GLN 58 CO 0.24 -0.40 0.73 -1.00 -0.25 0.00 0.00 175.29 174.60 1wln h PRO 59 N 1.09 -0.15 -3.29 2.91 0.13 -1.92 -1.18 132.00 129.58 1wln h PRO 59 Ca -0.40 0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 63.97 1wln h PRO 59 Cb 1.29 0.03 -0.31 0.00 0.13 0.00 0.00 31.00 32.15 1wln h PRO 59 CO 0.65 0.30 0.34 1.58 -0.23 0.00 0.00 178.00 180.63 1wln n HIS 60 N -4.86 4.28 0.28 1.56 -0.00 -1.26 -3.24 115.22 111.99 1wln n HIS 60 Ca -0.07 -3.70 -0.12 0.00 -0.00 0.00 0.00 57.72 53.84 1wln n HIS 60 Cb 0.26 -1.41 -0.06 0.00 -0.00 0.00 0.00 29.99 28.79 1wln n HIS 60 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1wln h HIS 61 N 6.08 -0.70 -2.53 1.57 2.76 -0.80 -3.10 115.15 118.44 1wln h HIS 61 Ca 0.18 -0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.48 1wln h HIS 61 Cb 0.79 0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.92 1wln h HIS 61 CO 0.80 -0.44 0.46 0.00 -1.30 0.00 0.00 177.93 177.45 1wln s ASP 63 N -3.08 2.99 -0.31 0.00 1.47 -0.21 0.14 116.67 117.68 1wln s ASP 63 Ca 0.15 -0.64 0.03 0.00 1.18 0.00 0.00 52.55 53.27 1wln s ASP 63 Cb -0.03 -0.23 0.09 0.00 -0.34 0.00 0.00 42.92 42.41 1wln s ASP 63 CO 0.05 0.19 0.01 -0.76 0.68 0.00 0.00 175.17 175.34 1wln s LEU 64 N -1.58 4.01 -0.30 2.11 1.43 0.21 -2.20 118.68 122.35 1wln s LEU 64 Ca 0.11 -1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 51.20 1wln s LEU 64 Cb -0.10 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1wln s LEU 64 CO 0.04 -0.33 0.35 -0.89 0.23 0.00 0.00 176.35 175.75 1wln s THR 65 N 1.07 5.18 -0.48 5.49 2.01 -1.26 -1.55 115.64 126.10 1wln s THR 65 Ca 0.05 0.33 -0.19 0.00 0.31 0.00 0.00 61.69 62.19 1wln s THR 65 Cb -0.19 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.63 1wln s THR 65 CO -0.09 0.06 0.58 0.21 -0.69 0.00 0.00 174.62 174.69 1wln s ASN 66 N 1.69 6.23 -0.35 3.53 2.47 -1.25 -3.78 114.94 123.48 1wln s ASN 66 Ca 0.13 -0.80 0.02 0.00 0.42 0.00 0.00 52.86 52.64 1wln s ASN 66 Cb -0.16 -2.28 0.10 0.00 -1.45 0.00 0.00 41.25 37.46 1wln s ASN 66 CO 0.11 -0.81 0.07 -0.04 -3.72 0.00 0.00 177.10 172.71 1wln s MET 67 N 2.53 1.64 -1.35 0.43 -1.94 0.14 -4.35 119.30 116.41 1wln s MET 67 Ca 0.15 -1.83 0.00 0.00 -1.71 0.00 0.00 55.69 52.30 1wln s MET 67 Cb -0.18 -3.27 0.00 0.00 2.01 0.00 0.00 34.83 33.38 1wln s MET 67 CO 0.13 -0.95 0.00 -3.47 -0.01 0.00 0.00 175.02 170.73 1wln n ASP 68 N 4.34 -4.62 0.00 3.03 2.03 -1.26 -1.33 116.55 118.74 1wln n ASP 68 Ca 0.02 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1wln n ASP 68 Cb 0.42 -3.24 0.00 0.00 -0.72 0.00 0.00 41.12 37.58 1wln n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 69 N -1.30 2.81 3.73 0.27 0.00 -1.26 -5.06 105.19 104.38 1wln n GLY 69 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1wln n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wln s VAL 70 N -2.67 3.96 -0.02 1.61 1.01 -0.44 -4.76 120.40 119.09 1wln s VAL 70 Ca 0.00 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.64 1wln s VAL 70 Cb 0.00 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1wln s VAL 70 CO 0.00 0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.56 1wln s VAL 71 N -0.00 0.84 -0.07 2.92 1.01 -1.26 0.28 120.40 124.13 1wln s VAL 71 Ca 0.51 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1wln s VAL 71 Cb -0.29 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1wln s VAL 71 CO 0.34 0.25 0.00 0.42 0.00 0.00 0.00 175.10 176.11 1wln s THR 72 N -0.01 0.38 0.12 3.92 -4.23 -1.25 -0.62 115.64 113.95 1wln s THR 72 Ca 0.00 0.11 -0.31 0.00 -1.18 0.00 0.00 61.69 60.31 1wln s THR 72 Cb -0.07 -0.54 -0.08 0.00 1.34 0.00 0.00 72.50 73.15 1wln s THR 72 CO 0.00 0.26 1.38 0.54 -0.54 0.00 0.00 174.62 176.26 1wln s VAL 73 N 1.97 3.29 -0.27 2.29 0.11 -0.44 -4.18 120.40 123.17 1wln s VAL 73 Ca 0.05 0.94 -0.00 0.00 -2.93 0.00 0.00 61.98 60.04 1wln s VAL 73 Cb -0.12 -3.60 0.08 0.00 -1.53 0.00 0.00 36.38 31.20 1wln s VAL 73 CO -0.05 0.08 0.04 -0.89 -3.33 0.00 0.00 175.10 170.95 1wln s THR 74 N 1.00 1.10 -0.08 5.04 2.01 -0.94 -0.78 115.64 122.99 1wln s THR 74 Ca 0.64 -1.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1wln s THR 74 Cb -0.37 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1wln s THR 74 CO 0.31 -0.42 1.23 -2.16 -0.69 0.00 0.00 174.62 172.89 1wln s PRO 75 N 1.54 4.31 -0.16 4.92 0.04 -1.26 -1.04 135.00 143.35 1wln s PRO 75 Ca 0.04 1.69 0.14 0.00 0.04 0.00 0.00 61.00 62.91 1wln s PRO 75 Cb -0.18 -3.62 0.41 0.00 0.04 0.00 0.00 34.50 31.15 1wln s PRO 75 CO -0.15 -0.53 1.20 0.54 0.04 0.00 0.00 177.00 178.10 1wln n ARG 76 N 5.64 1.24 -3.83 4.56 5.12 -1.00 -4.91 116.66 123.47 1wln n ARG 76 Ca 0.12 -2.98 -0.25 0.00 -1.93 0.00 0.00 57.85 52.81 1wln n ARG 76 Cb 0.46 -1.28 -0.17 0.00 -1.16 0.00 0.00 32.46 30.31 1wln n ARG 76 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wln s SER 77 N -2.95 1.92 -1.15 0.55 0.01 -1.17 -4.87 113.70 106.04 1wln s SER 77 Ca 0.36 -0.22 -0.08 0.00 1.31 0.00 0.00 55.95 57.33 1wln s SER 77 Cb 0.36 -0.62 -0.10 0.00 0.21 0.00 0.00 66.02 65.88 1wln s SER 77 CO -0.08 -0.17 2.71 0.80 0.41 0.00 0.00 173.24 176.90 1wln n MET 78 N 5.05 2.87 0.00 12.44 1.56 -1.26 -2.57 117.12 135.22 1wln n MET 78 Ca -0.09 -1.75 0.00 0.00 -0.27 0.00 0.00 57.70 55.58 1wln n MET 78 Cb 0.50 -2.55 0.00 0.00 2.15 0.00 0.00 33.22 33.31 1wln n MET 78 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1wln n ASP 79 N 3.64 0.00 -4.66 6.12 -0.08 -1.26 -5.11 116.55 115.20 1wln n ASP 79 Ca 0.61 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.47 1wln n ASP 79 Cb 0.28 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.71 1wln n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wln s ALA 80 N 0.00 3.59 -0.14 -1.67 0.00 -1.06 -4.96 121.76 117.52 1wln s ALA 80 Ca 0.00 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 1wln s ALA 80 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1wln s ALA 80 CO 0.00 -1.46 0.57 -1.21 0.00 0.00 0.00 175.76 173.66 1wln s GLU 81 N 4.15 4.30 -0.30 0.00 2.02 -1.26 -4.85 118.70 122.76 1wln s GLU 81 Ca 0.76 0.57 0.01 0.00 0.02 0.00 0.00 54.97 56.33 1wln s GLU 81 Cb -0.34 -3.49 0.09 0.00 0.10 0.00 0.00 34.13 30.48 1wln s GLU 81 CO 0.31 -0.01 0.06 0.99 0.02 0.00 0.00 175.26 176.64 1wln s THR 82 N 1.14 1.30 -0.25 3.63 2.01 -1.25 -2.46 115.64 119.77 1wln s THR 82 Ca 0.29 -1.59 -0.08 0.00 0.31 0.00 0.00 61.69 60.62 1wln s THR 82 Cb -0.16 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1wln s THR 82 CO 0.12 -0.57 0.08 -0.31 -0.69 0.00 0.00 174.62 173.25 1wln s TYR 83 N 1.42 3.10 -0.79 4.92 2.02 -1.08 -1.60 117.35 125.34 1wln s TYR 83 Ca 0.08 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.26 1wln s TYR 83 Cb -0.18 -2.24 0.19 0.00 -0.40 0.00 0.00 41.96 39.32 1wln s TYR 83 CO -0.18 -0.33 0.79 0.08 -1.57 0.00 0.00 175.55 174.34 1wln s VAL 84 N 1.58 5.36 -0.22 0.71 1.01 0.42 -1.97 120.40 127.29 1wln s VAL 84 Ca 0.06 -2.09 -0.01 0.00 0.00 0.00 0.00 61.98 59.94 1wln s VAL 84 Cb -0.15 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1wln s VAL 84 CO 0.04 -1.09 0.18 -0.67 0.00 0.00 0.00 175.10 173.56 1wln n ASP 85 N 4.72 -2.67 -0.40 3.32 2.03 -0.59 -3.47 116.55 119.50 1wln n ASP 85 Ca 0.10 -0.08 -0.04 0.00 0.52 0.00 0.00 54.79 55.29 1wln n ASP 85 Cb 0.46 -1.22 -0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 86 N -0.75 0.24 2.64 0.27 0.00 -1.26 -5.00 105.19 101.33 1wln n GLY 86 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 1wln n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wln s GLN 87 N -4.10 0.02 0.57 1.61 -0.21 -1.23 -5.06 119.66 111.27 1wln s GLN 87 Ca 0.00 0.09 -0.18 0.00 0.02 0.00 0.00 55.36 55.29 1wln s GLN 87 Cb 0.00 -1.35 -0.04 0.00 1.00 0.00 0.00 33.01 32.61 1wln s GLN 87 CO 0.00 -0.55 1.12 0.50 -2.12 0.00 0.00 175.29 174.23 1wln s ARG 88 N 2.16 3.22 0.15 2.91 3.52 -1.26 0.16 118.95 129.81 1wln s ARG 88 Ca 0.03 1.53 0.11 0.00 -0.13 0.00 0.00 55.73 57.27 1wln s ARG 88 Cb -0.15 -1.99 -0.04 0.00 -1.56 0.00 0.00 34.95 31.21 1wln s ARG 88 CO -0.07 -0.94 -0.25 0.96 -0.81 0.00 0.00 175.30 174.19 1wln s ILE 89 N -1.96 2.35 -0.11 4.11 -4.36 -0.62 -4.85 121.20 115.75 1wln s ILE 89 Ca 0.71 -1.84 0.06 0.00 -0.26 0.00 0.00 60.65 59.31 1wln s ILE 89 Cb -0.22 -2.08 -0.08 0.00 1.25 0.00 0.00 42.46 41.33 1wln s ILE 89 CO 0.31 0.01 0.17 -0.24 0.24 0.00 0.00 174.94 175.43 1wln n SER 90 N 0.65 2.25 -2.81 4.36 2.88 -1.26 -4.79 113.62 114.89 1wln n SER 90 Ca -0.16 -0.27 -0.15 0.00 -1.33 0.00 0.00 58.87 56.97 1wln n SER 90 Cb 0.54 1.15 -0.05 0.00 -0.75 0.00 0.00 64.21 65.10 1wln n SER 90 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wln n GLU 91 N -1.46 0.43 -1.53 -1.46 -0.58 -1.26 -4.89 120.64 109.90 1wln n GLU 91 Ca -0.00 -2.65 -0.44 0.00 -0.42 0.00 0.00 57.16 53.65 1wln n GLU 91 Cb 0.12 2.30 -0.05 0.00 -0.57 0.00 0.00 31.44 33.24 1wln n GLU 91 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1wln n THR 92 N -0.52 0.17 -4.01 2.62 -1.04 -1.26 -4.66 114.28 105.58 1wln n THR 92 Ca 0.04 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.05 61.27 1wln n THR 92 Cb 0.50 -2.16 -0.13 0.00 -1.82 0.00 0.00 70.33 66.73 1wln n THR 92 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wln s THR 93 N 8.91 3.88 0.46 12.58 2.01 0.04 -4.93 115.64 138.59 1wln s THR 93 Ca 1.06 -0.33 -0.23 0.00 0.31 0.00 0.00 61.69 62.49 1wln s THR 93 Cb -0.54 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1wln s THR 93 CO 0.39 0.42 1.07 0.80 -0.69 0.00 0.00 174.62 176.60 1wln n MET 94 N 4.42 1.39 -4.09 4.92 1.56 -1.26 -1.33 117.12 122.74 1wln n MET 94 Ca -0.17 0.51 -0.27 0.00 -0.27 0.00 0.00 57.70 57.50 1wln n MET 94 Cb 0.52 -2.16 -0.06 0.00 2.15 0.00 0.00 33.22 33.66 1wln n MET 94 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wln s LEU 95 N -1.20 3.76 0.21 -0.89 1.43 0.21 -4.79 118.68 117.41 1wln s LEU 95 Ca 0.66 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1wln s LEU 95 Cb -0.51 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1wln s LEU 95 CO 0.55 0.08 0.12 -1.10 0.23 0.00 0.00 176.35 176.22 1wln s GLN 96 N -3.01 1.24 0.02 1.70 -0.21 -1.26 -4.70 119.66 113.45 1wln s GLN 96 Ca 0.30 -1.65 -0.30 0.00 0.02 0.00 0.00 55.36 53.73 1wln s GLN 96 Cb -0.10 0.12 -0.05 0.00 1.00 0.00 0.00 33.01 33.98 1wln s GLN 96 CO 0.23 -0.35 1.22 -1.54 -2.12 0.00 0.00 175.29 172.72 1wln s SER 97 N -3.19 7.05 0.00 5.90 1.04 -1.25 -2.91 113.70 120.33 1wln s SER 97 Ca 0.38 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1wln s SER 97 Cb 0.07 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1wln s SER 97 CO 0.12 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1wln n GLY 98 N 3.31 3.04 2.82 7.32 0.00 0.49 -4.95 105.19 117.21 1wln n GLY 98 Ca 0.10 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1wln n GLY 98 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wln n MET 99 N 0.00 0.00 -3.59 1.61 1.56 -1.14 -4.51 117.12 111.04 1wln n MET 99 Ca 0.00 0.00 -0.37 0.00 -0.27 0.00 0.00 57.70 57.06 1wln n MET 99 Cb 0.00 -0.85 -0.09 0.00 2.15 0.00 0.00 33.22 34.43 1wln n MET 99 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1wln s ARG 100 N -0.85 4.06 -0.34 2.12 0.52 -1.26 -2.16 118.95 121.04 1wln s ARG 100 Ca 0.51 -0.20 -0.14 0.00 -0.52 0.00 0.00 55.73 55.39 1wln s ARG 100 Cb -0.61 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.28 1wln s ARG 100 CO 0.52 -0.02 0.29 -0.51 0.02 0.00 0.00 175.30 175.60 1wln s LEU 101 N 1.29 4.47 -0.37 2.53 2.01 0.45 -1.54 118.68 127.52 1wln s LEU 101 Ca 0.09 -0.32 -0.07 0.00 0.01 0.00 0.00 54.13 53.84 1wln s LEU 101 Cb -0.14 -2.23 0.05 0.00 0.01 0.00 0.00 46.19 43.88 1wln s LEU 101 CO 0.07 -0.28 0.16 -1.58 1.01 0.00 0.00 176.35 175.73 1wln s GLN 102 N 1.86 2.60 -0.84 1.70 0.74 -0.83 0.41 119.66 125.29 1wln s GLN 102 Ca 0.09 -1.29 -0.04 0.00 0.05 0.00 0.00 55.36 54.17 1wln s GLN 102 Cb -0.17 -3.58 0.21 0.00 1.10 0.00 0.00 33.01 30.57 1wln s GLN 102 CO 0.11 -0.77 0.72 -0.06 -0.55 0.00 0.00 175.29 174.74 1wln s PHE 103 N 1.41 3.80 0.00 1.67 0.08 -0.95 -2.65 117.98 121.34 1wln s PHE 103 Ca 0.01 -2.84 0.00 0.00 0.12 0.00 0.00 56.93 54.21 1wln s PHE 103 Cb -0.21 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 38.91 1wln s PHE 103 CO 0.03 -0.80 0.00 0.41 -0.10 0.00 0.00 175.22 174.75 1wln n GLY 104 N 2.77 0.84 2.83 4.36 0.00 -1.03 -3.59 105.19 111.38 1wln n GLY 104 Ca 0.18 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 1wln n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wln n THR 105 N -3.00 0.00 0.00 2.61 -2.24 -1.26 -4.54 114.28 105.84 1wln n THR 105 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wln n THR 105 Cb 0.36 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1wln n THR 105 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wln n SER 106 N -1.56 1.82 -4.10 3.42 2.88 -1.25 -4.98 113.62 109.85 1wln n SER 106 Ca 0.03 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.23 1wln n SER 106 Cb 0.44 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.76 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1wln s HIS 107 N -1.79 3.54 -0.11 0.66 4.02 -1.24 -4.86 115.29 115.52 1wln s HIS 107 Ca 0.00 -2.47 -0.13 0.00 1.02 0.00 0.00 55.06 53.48 1wln s HIS 107 Cb 0.00 -2.74 -0.05 0.00 -1.02 0.00 0.00 32.58 28.77 1wln s HIS 107 CO 0.00 -0.92 0.31 0.08 1.02 0.00 0.00 174.74 175.24 1wln s VAL 108 N 1.09 5.26 0.23 -0.90 1.01 -1.26 -2.23 120.40 123.60 1wln s VAL 108 Ca 0.04 0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.67 1wln s VAL 108 Cb -0.21 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1wln s VAL 108 CO -0.05 0.46 -0.02 -0.36 0.00 0.00 0.00 175.10 175.13 1wln s PHE 109 N -0.11 1.62 -0.16 5.22 0.08 0.17 0.12 117.98 124.92 1wln s PHE 109 Ca 0.19 -0.86 -0.01 0.00 0.12 0.00 0.00 56.93 56.37 1wln s PHE 109 Cb -0.14 -0.93 0.04 0.00 -0.57 0.00 0.00 43.02 41.42 1wln s PHE 109 CO 0.07 0.04 -0.05 0.21 -0.10 0.00 0.00 175.22 175.39 1wln s LYS 110 N -3.82 1.36 0.01 0.44 2.36 -0.79 0.17 119.74 119.47 1wln s LYS 110 Ca 0.28 -0.48 -0.27 0.00 -2.55 0.00 0.00 55.97 52.95 1wln s LYS 110 Cb 0.05 -1.95 -0.04 0.00 -1.05 0.00 0.00 37.83 34.84 1wln s LYS 110 CO 0.09 -0.43 0.86 0.12 1.55 0.00 0.00 175.35 177.54 1wln s PHE 111 N 1.66 3.68 -0.02 4.03 2.19 -0.92 -0.54 117.98 128.06 1wln s PHE 111 Ca 0.01 1.55 0.03 0.00 0.33 0.00 0.00 56.93 58.86 1wln s PHE 111 Cb -0.15 -2.97 -0.00 0.00 -1.31 0.00 0.00 43.02 38.59 1wln s PHE 111 CO -0.08 0.11 -0.12 0.08 1.83 0.00 0.00 175.22 177.05 1wln s VAL 112 N 0.57 0.96 -0.42 3.12 1.01 -0.53 0.18 120.40 125.31 1wln s VAL 112 Ca 0.45 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 1wln s VAL 112 Cb -0.20 -0.83 0.08 0.00 0.00 0.00 0.00 36.38 35.42 1wln s VAL 112 CO 0.25 0.29 0.26 -0.62 0.00 0.00 0.00 175.10 175.27 1wln s ASP 113 N -0.01 5.66 0.00 3.32 2.15 -1.26 -2.39 116.67 124.14 1wln s ASP 113 Ca -0.00 -1.47 0.23 0.00 0.43 0.00 0.00 52.55 51.74 1wln s ASP 113 Cb -0.08 -1.99 1.24 0.00 -0.30 0.00 0.00 42.92 41.79 1wln s ASP 113 CO 0.00 -0.53 1.76 -0.81 -0.17 0.00 0.00 175.17 175.42 1wln n PRO 114 N 4.93 0.46 0.18 4.34 -0.04 -1.26 -3.41 135.00 140.20 1wln n PRO 114 Ca -0.10 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.27 1wln n PRO 114 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1wln n PRO 114 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wln h SER 115 N 0.00 -0.40 -2.02 3.54 0.87 -1.80 -3.43 113.55 110.31 1wln h SER 115 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1wln h SER 115 Cb 0.14 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1wln h SER 115 CO 0.00 -0.05 0.00 0.61 -0.53 0.00 0.00 176.83 176.86 1wln n GLY 116 N -0.43 2.37 3.56 5.77 0.00 -1.22 -4.90 105.19 110.33 1wln n GLY 116 Ca -0.10 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 1wln n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wln s PRO 117 N -4.60 3.03 -0.08 1.61 0.04 -1.26 -4.95 135.00 128.79 1wln s PRO 117 Ca 0.00 -0.42 0.03 0.00 0.04 0.00 0.00 61.00 60.64 1wln s PRO 117 Cb 0.00 -4.91 -0.02 0.00 0.04 0.00 0.00 34.50 29.61 1wln s PRO 117 CO 0.00 -2.67 -0.15 0.45 0.04 0.00 0.00 177.00 174.66 1wln s SER 118 N 6.28 3.88 -0.12 6.66 0.15 -1.26 -5.10 113.70 124.19 1wln s SER 118 Ca 0.56 -0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.88 1wln s SER 118 Cb -0.06 -1.09 0.05 0.00 -1.71 0.00 0.00 66.02 63.21 1wln s SER 118 CO 0.02 0.27 0.10 -0.44 1.20 0.00 0.00 173.24 174.39 1wln s SER 119 N -0.29 1.70 0.00 5.45 0.01 -1.26 -5.27 113.70 114.03 1wln s SER 119 Ca 0.02 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1wln s SER 119 Cb -0.13 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1wln s SER 119 CO 0.03 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.98