#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 4.03 -0.64 1.61 1.04 -1.26 -5.09 113.70 113.39 1wln s SER 2 Ca 0.00 -0.84 0.05 0.00 0.48 0.00 0.00 55.95 55.64 1wln s SER 2 Cb 0.00 -0.56 0.16 0.00 0.10 0.00 0.00 66.02 65.72 1wln s SER 2 CO 0.00 0.03 0.42 -0.55 0.98 0.00 0.00 173.24 174.12 1wln s SER 3 N -3.53 4.62 0.00 7.02 0.15 -1.26 -5.00 113.70 115.71 1wln s SER 3 Ca 0.30 -3.58 0.00 0.00 0.70 0.00 0.00 55.95 53.38 1wln s SER 3 Cb -0.06 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1wln s SER 3 CO 0.17 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1wln n GLY 4 N 2.35 4.23 3.08 9.45 0.00 -1.26 -5.17 105.19 117.87 1wln n GLY 4 Ca 0.15 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 1wln n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln s SER 5 N 0.00 1.12 -1.05 1.61 0.01 -1.26 -5.08 113.70 109.05 1wln s SER 5 Ca 0.00 -0.48 -0.22 0.00 1.31 0.00 0.00 55.95 56.56 1wln s SER 5 Cb 0.00 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.27 1wln s SER 5 CO 0.00 -0.10 1.45 -0.55 0.41 0.00 0.00 173.24 174.45 1wln s SER 6 N -1.33 6.57 0.00 2.44 0.15 -1.26 -4.91 113.70 115.36 1wln s SER 6 Ca -0.05 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 54.91 1wln s SER 6 Cb -0.09 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wln s SER 6 CO 0.01 -1.40 0.00 0.61 1.20 0.00 0.00 173.24 173.66 1wln n GLY 7 N 6.47 2.68 0.14 9.45 0.00 -1.26 -4.94 105.19 117.72 1wln n GLY 7 Ca 0.34 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.89 1.61 0.13 -2.00 -2.92 132.00 127.93 1wln h PRO 8 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1wln h PRO 8 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1wln h PRO 8 CO 0.00 0.00 0.15 -0.85 -0.23 0.00 0.00 178.00 177.07 1wln n GLU 9 N -2.40 2.36 -2.71 0.86 0.28 -1.26 -3.77 120.64 114.00 1wln n GLU 9 Ca 0.04 -1.56 -0.04 0.00 -0.16 0.00 0.00 57.16 55.44 1wln n GLU 9 Cb 0.35 -1.75 0.10 0.00 1.43 0.00 0.00 31.44 31.56 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 0.02 1.38 -4.37 3.44 5.02 -1.10 -4.75 118.16 117.80 1wln n LYS 10 Ca 0.21 -2.17 -0.27 0.00 -2.02 0.00 0.00 58.31 54.06 1wln n LYS 10 Cb 0.90 -0.38 -0.13 0.00 -0.02 0.00 0.00 35.03 35.40 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 -3.70 2.34 0.23 -0.35 1.43 -1.25 -3.89 118.68 113.49 1wln s LEU 11 Ca 0.19 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 1wln s LEU 11 Cb 0.41 -1.12 -0.09 0.00 0.03 0.00 0.00 46.19 45.42 1wln s LEU 11 CO -0.08 0.14 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 1wln s PRO 12 N -2.13 4.62 0.24 1.29 0.04 -1.26 -4.13 135.00 133.67 1wln s PRO 12 Ca 0.13 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1wln s PRO 12 Cb -0.10 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 1wln s PRO 12 CO 0.06 0.15 0.07 1.52 0.04 0.00 0.00 177.00 178.84 1wln s TYR 13 N -0.69 1.45 -0.27 0.56 1.13 -0.96 0.21 117.35 118.78 1wln s TYR 13 Ca 0.47 -1.13 0.03 0.00 -1.41 0.00 0.00 57.07 55.03 1wln s TYR 13 Cb -0.31 -0.85 0.06 0.00 -1.10 0.00 0.00 41.96 39.77 1wln s TYR 13 CO 0.38 -0.30 -0.09 -0.51 -2.51 0.00 0.00 175.55 172.52 1wln s LEU 14 N -3.28 3.55 -0.57 -3.49 1.43 -0.94 -1.74 118.68 113.65 1wln s LEU 14 Ca 0.34 -1.47 -0.20 0.00 -1.03 0.00 0.00 54.13 51.77 1wln s LEU 14 Cb 0.07 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.82 1wln s LEU 14 CO 0.11 -0.21 0.74 0.54 0.23 0.00 0.00 176.35 177.76 1wln s VAL 15 N 1.09 4.71 0.15 -1.59 0.11 0.88 -3.28 120.40 122.47 1wln s VAL 15 Ca -0.07 -0.58 -0.33 0.00 -2.93 0.00 0.00 61.98 58.08 1wln s VAL 15 Cb -0.20 -4.46 -0.17 0.00 -1.53 0.00 0.00 36.38 30.03 1wln s VAL 15 CO -0.05 -1.06 0.96 1.21 -3.33 0.00 0.00 175.10 172.82 1wln n GLU 16 N 6.62 0.62 -4.49 1.54 2.13 -0.93 -1.39 120.64 124.74 1wln n GLU 16 Ca -0.06 0.22 -0.26 0.00 0.66 0.00 0.00 57.16 57.72 1wln n GLU 16 Cb 0.44 -1.58 -0.10 0.00 0.27 0.00 0.00 31.44 30.48 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 2.79 1.22 4.31 1.43 0.10 -4.62 118.68 125.04 1wln s LEU 17 Ca 0.73 -1.14 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1wln s LEU 17 Cb -0.95 -1.10 0.26 0.00 0.03 0.00 0.00 46.19 44.44 1wln s LEU 17 CO 0.55 -0.20 0.68 -0.24 0.23 0.00 0.00 176.35 177.37 1wln n SER 18 N -0.83 -2.53 0.00 2.29 2.88 0.09 -4.38 113.62 111.14 1wln n SER 18 Ca -0.05 -0.33 0.11 0.00 -1.33 0.00 0.00 58.87 57.27 1wln n SER 18 Cb 0.63 -1.09 0.67 0.00 -0.75 0.00 0.00 64.21 63.66 1wln n SER 18 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1wln n PRO 19 N -4.24 0.75 0.00 -1.46 -0.04 -1.26 -1.86 135.00 126.89 1wln n PRO 19 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1wln n PRO 19 Cb 0.56 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1wln n PRO 19 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wln n ASP 20 N -0.97 0.93 -0.39 3.54 -0.08 -1.26 -4.99 116.55 113.33 1wln n ASP 20 Ca 0.17 -0.97 0.00 0.00 -1.51 0.00 0.00 54.79 52.48 1wln n ASP 20 Cb 0.08 0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wln n GLY 21 N 0.51 0.93 3.43 0.27 0.00 -0.77 -5.08 105.19 104.47 1wln n GLY 21 Ca 0.02 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.87 2.98 -0.38 1.61 1.04 -1.26 -4.85 113.70 109.97 1wln s SER 22 Ca 0.00 -1.12 -0.17 0.00 0.48 0.00 0.00 55.95 55.13 1wln s SER 22 Cb 0.00 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1wln s SER 22 CO 0.00 -0.22 0.46 -1.81 0.98 0.00 0.00 173.24 172.66 1wln s ASP 23 N -3.44 6.25 1.08 7.02 1.11 -1.26 -0.73 116.67 126.69 1wln s ASP 23 Ca 0.28 -0.29 -0.12 0.00 0.18 0.00 0.00 52.55 52.60 1wln s ASP 23 Cb 0.01 -2.24 0.24 0.00 1.07 0.00 0.00 42.92 42.00 1wln s ASP 23 CO 0.12 -0.50 1.06 -0.55 1.18 0.00 0.00 175.17 176.48 1wln s SER 24 N 1.79 1.68 -0.36 0.27 0.15 -1.26 -4.85 113.70 111.12 1wln s SER 24 Ca 0.15 1.62 -0.06 0.00 0.70 0.00 0.00 55.95 58.36 1wln s SER 24 Cb -0.16 -2.31 -0.13 0.00 -1.71 0.00 0.00 66.02 61.71 1wln s SER 24 CO 0.13 -3.78 3.24 0.54 1.20 0.00 0.00 173.24 174.57 1wln n ARG 25 N -4.65 2.43 -1.56 5.44 1.74 -1.26 -4.79 116.66 114.01 1wln n ARG 25 Ca 0.05 -1.66 -0.01 0.00 -0.77 0.00 0.00 57.85 55.46 1wln n ARG 25 Cb 0.54 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1wln n ARG 25 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wln n ASP 26 N 2.06 -0.36 -4.47 0.55 8.00 -1.26 -5.12 116.55 115.95 1wln n ASP 26 Ca 0.49 -1.24 -0.43 0.00 0.71 0.00 0.00 54.79 54.33 1wln n ASP 26 Cb 0.71 0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 42.31 1wln n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wln s LYS 27 N -2.01 3.03 0.75 -1.24 1.02 -1.26 -5.06 119.74 114.96 1wln s LYS 27 Ca 0.03 -0.90 -0.11 0.00 0.02 0.00 0.00 55.97 55.01 1wln s LYS 27 Cb -0.01 -3.98 0.04 0.00 -0.52 0.00 0.00 37.83 33.36 1wln s LYS 27 CO 0.02 -0.82 1.08 -1.25 -0.92 0.00 0.00 175.35 173.46 1wln s PRO 28 N 1.92 2.48 0.62 -1.68 0.04 -1.26 -5.02 135.00 132.10 1wln s PRO 28 Ca 0.09 0.79 -0.17 0.00 0.04 0.00 0.00 61.00 61.75 1wln s PRO 28 Cb -0.18 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1wln s PRO 28 CO 0.12 -1.38 1.15 0.21 0.04 0.00 0.00 177.00 177.13 1wln s LYS 29 N -5.10 2.90 0.18 4.56 2.36 -1.26 -4.86 119.74 118.52 1wln s LYS 29 Ca 0.59 1.58 0.05 0.00 -2.55 0.00 0.00 55.97 55.65 1wln s LYS 29 Cb -0.14 -1.95 -0.05 0.00 -1.05 0.00 0.00 37.83 34.64 1wln s LYS 29 CO 0.55 -1.20 -0.09 -1.17 1.55 0.00 0.00 175.35 174.98 1wln s LEU 30 N -4.45 2.47 -0.29 5.43 2.96 -1.26 -2.20 118.68 121.34 1wln s LEU 30 Ca 0.72 -1.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1wln s LEU 30 Cb -0.24 -0.40 0.17 0.00 0.50 0.00 0.00 46.19 46.22 1wln s LEU 30 CO 0.36 -0.34 0.48 -0.31 -1.32 0.00 0.00 176.35 175.23 1wln s TYR 31 N -3.27 -1.33 -0.15 5.38 2.02 -1.21 -4.94 117.35 113.86 1wln s TYR 31 Ca 0.21 0.76 -0.29 0.00 -0.37 0.00 0.00 57.07 57.37 1wln s TYR 31 Cb 0.03 0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.64 1wln s TYR 31 CO 0.04 -0.98 1.57 1.03 -1.57 0.00 0.00 175.55 175.63 1wln s ARG 32 N 2.67 4.02 -1.27 -0.62 0.52 -1.26 -2.20 118.95 120.80 1wln s ARG 32 Ca 0.11 1.87 -0.16 0.00 -0.52 0.00 0.00 55.73 57.02 1wln s ARG 32 Cb -0.12 -3.97 0.10 0.00 0.52 0.00 0.00 34.95 31.48 1wln s ARG 32 CO -0.26 -1.02 1.64 1.28 0.02 0.00 0.00 175.30 176.96 1wln n LEU 33 N 7.62 5.06 -4.37 2.53 4.77 0.55 -4.96 117.00 128.20 1wln n LEU 33 Ca 0.17 -4.11 -0.32 0.00 -0.03 0.00 0.00 56.01 51.73 1wln n LEU 33 Cb 0.44 -1.70 0.18 0.00 -2.33 0.00 0.00 43.42 40.01 1wln n LEU 33 CO 0.62 0.36 -0.15 0.00 -1.33 0.00 0.00 177.39 176.89 1wln n GLN 34 N 7.43 -1.46 -2.25 3.23 6.02 -1.26 -4.36 117.38 124.73 1wln n GLN 34 Ca 0.45 -0.40 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 1wln n GLN 34 Cb 0.45 -1.87 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.84 3.37 0.00 1.08 2.01 -1.26 -4.58 118.68 116.45 1wln s LEU 35 Ca 0.60 0.38 0.00 0.00 0.01 0.00 0.00 54.13 55.12 1wln s LEU 35 Cb -0.17 -2.93 0.00 0.00 0.01 0.00 0.00 46.19 43.10 1wln s LEU 35 CO 0.66 -1.91 0.00 -1.54 1.01 0.00 0.00 176.35 174.56 1wln n SER 36 N 10.59 0.00 -3.84 2.29 3.41 -1.26 -4.97 113.62 119.83 1wln n SER 36 Ca 0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.47 1wln n SER 36 Cb 0.50 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.29 1wln n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wln s VAL 37 N -1.84 1.25 -0.53 -3.33 1.01 -1.26 -3.47 120.40 112.22 1wln s VAL 37 Ca 0.00 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.45 1wln s VAL 37 Cb 0.00 -1.78 0.11 0.00 0.00 0.00 0.00 36.38 34.71 1wln s VAL 37 CO 0.00 -0.41 0.52 -0.89 0.00 0.00 0.00 175.10 174.32 1wln s THR 38 N 1.47 5.12 -0.13 3.92 2.01 -0.81 -4.70 115.64 122.52 1wln s THR 38 Ca 0.03 -1.23 -0.26 0.00 0.31 0.00 0.00 61.69 60.54 1wln s THR 38 Cb -0.18 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.00 1wln s THR 38 CO -0.14 -0.84 0.86 -1.61 -0.69 0.00 0.00 174.62 172.20 1wln s GLU 39 N 1.88 4.36 0.09 4.92 8.01 -1.26 0.19 118.70 136.89 1wln s GLU 39 Ca 0.06 1.10 0.02 0.00 0.01 0.00 0.00 54.97 56.16 1wln s GLU 39 Cb -0.27 -3.54 -0.04 0.00 -4.31 0.00 0.00 34.13 25.97 1wln s GLU 39 CO 0.05 -0.26 0.18 0.08 0.01 0.00 0.00 175.26 175.32 1wln s VAL 40 N 1.89 5.09 0.00 2.63 1.01 0.34 -2.88 120.40 128.47 1wln s VAL 40 Ca 0.41 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1wln s VAL 40 Cb -0.17 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1wln s VAL 40 CO 0.15 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1wln n GLY 41 N 0.14 0.37 0.07 4.51 0.00 -1.14 0.81 105.19 109.94 1wln n GLY 41 Ca -0.07 -1.18 0.01 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 0.82 -3.47 2.61 -2.24 0.19 0.16 114.28 112.34 1wln n THR 42 Ca 0.00 -0.91 -0.21 0.00 -2.27 0.00 0.00 64.05 60.66 1wln n THR 42 Cb 0.00 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.84 2.48 -0.01 -0.78 0.41 -1.19 -4.91 118.70 113.85 1wln s GLU 43 Ca 0.03 -1.61 0.06 0.00 -0.41 0.00 0.00 54.97 53.03 1wln s GLU 43 Cb 0.01 -2.41 -0.02 0.00 -1.78 0.00 0.00 34.13 29.93 1wln s GLU 43 CO 0.02 -0.39 -0.19 0.21 -0.49 0.00 0.00 175.26 174.41 1wln s LYS 44 N -4.27 1.54 0.23 1.61 2.20 -1.26 -4.71 119.74 115.07 1wln s LYS 44 Ca 0.48 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1wln s LYS 44 Cb -0.04 -1.50 0.00 0.00 -1.51 0.00 0.00 37.83 34.78 1wln s LYS 44 CO 0.29 0.41 0.00 1.19 -0.36 0.00 0.00 175.35 176.88 1wln n PHE 45 N 2.54 -1.95 -3.47 4.03 3.72 -1.26 -5.12 117.46 115.94 1wln n PHE 45 Ca -0.15 0.35 -0.19 0.00 -0.05 0.00 0.00 57.45 57.40 1wln n PHE 45 Cb 0.53 0.54 -0.01 0.00 -0.94 0.00 0.00 39.48 39.61 1wln n PHE 45 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1wln s ASP 46 N -4.85 5.81 0.18 4.37 -4.77 -1.26 -5.02 116.67 111.14 1wln s ASP 46 Ca 0.00 -0.27 -0.11 0.00 -3.30 0.00 0.00 52.55 48.87 1wln s ASP 46 Cb 0.00 -1.11 0.09 0.00 -1.09 0.00 0.00 42.92 40.81 1wln s ASP 46 CO 0.00 -0.46 1.72 -0.78 0.70 0.00 0.00 175.17 176.34 1wln h ASP 47 N 0.92 0.93 -2.36 2.11 1.82 -2.00 -3.09 116.42 114.75 1wln h ASP 47 Ca -0.45 -0.20 -0.77 0.00 -0.39 0.00 0.00 57.03 55.22 1wln h ASP 47 Cb 1.26 -0.24 -0.30 0.00 0.68 0.00 0.00 39.33 40.73 1wln h ASP 47 CO 0.53 0.88 0.69 0.59 -1.61 0.00 0.00 179.24 180.32 1wln n ASN 48 N -4.37 6.66 -4.95 2.28 4.13 -1.26 -5.00 115.26 112.75 1wln n ASN 48 Ca 0.04 -3.64 -0.20 0.00 1.68 0.00 0.00 54.58 52.47 1wln n ASN 48 Cb 0.21 -1.08 -0.01 0.00 -1.54 0.00 0.00 39.78 37.36 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 -1.78 5.86 -0.30 6.41 1.04 -1.17 -4.85 113.70 118.90 1wln s SER 49 Ca 0.39 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.49 1wln s SER 49 Cb 0.18 -1.26 -0.03 0.00 0.10 0.00 0.00 66.02 65.01 1wln s SER 49 CO -0.09 -0.36 0.19 -0.63 0.98 0.00 0.00 173.24 173.33 1wln s ILE 50 N -2.18 5.05 -0.44 -1.02 1.01 -1.14 -5.03 121.20 117.46 1wln s ILE 50 Ca 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 1wln s ILE 50 Cb -0.09 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 39.00 1wln s ILE 50 CO 0.30 0.14 0.23 -1.58 0.00 0.00 0.00 174.94 174.03 1wln s GLN 51 N 1.70 2.07 0.02 2.79 0.74 -1.26 -2.89 119.66 122.83 1wln s GLN 51 Ca 0.06 -1.91 -0.00 0.00 0.05 0.00 0.00 55.36 53.56 1wln s GLN 51 Cb -0.17 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.30 1wln s GLN 51 CO 0.09 -1.09 0.12 -0.51 -0.55 0.00 0.00 175.29 173.35 1wln s LEU 52 N 0.99 4.03 -0.14 3.68 1.43 0.41 -4.97 118.68 124.11 1wln s LEU 52 Ca 0.09 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1wln s LEU 52 Cb -0.23 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.56 1wln s LEU 52 CO -0.04 0.24 -0.06 -0.36 0.23 0.00 0.00 176.35 176.36 1wln s PHE 53 N -1.30 1.58 0.17 0.29 0.08 -1.26 -3.72 117.98 113.82 1wln s PHE 53 Ca 0.27 -0.91 -0.23 0.00 0.12 0.00 0.00 56.93 56.17 1wln s PHE 53 Cb -0.12 -1.27 0.06 0.00 -0.57 0.00 0.00 43.02 41.12 1wln s PHE 53 CO 0.18 -0.57 0.68 0.20 -0.10 0.00 0.00 175.22 175.61 1wln s GLY 54 N 1.68 -0.46 -0.61 4.36 0.00 -1.26 -5.01 107.32 106.02 1wln s GLY 54 Ca 0.03 0.34 -0.27 0.00 0.00 0.00 0.00 44.72 44.81 1wln s GLY 54 CO -0.08 0.11 1.53 2.56 0.00 0.00 0.00 173.10 177.22 1wln s PRO 55 N -3.70 3.08 0.00 2.90 0.04 -1.26 -2.49 135.00 133.57 1wln s PRO 55 Ca 0.04 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1wln s PRO 55 Cb -0.02 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1wln s PRO 55 CO -0.07 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.17 1wln n GLY 56 N 5.42 1.76 3.85 0.56 0.00 -1.26 -4.98 105.19 110.53 1wln n GLY 56 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 4.87 0.51 -0.61 -1.09 -1.04 -4.65 121.20 117.19 1wln s ILE 57 Ca 0.00 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 57.68 1wln s ILE 57 Cb 0.00 -3.43 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1wln s ILE 57 CO 0.00 0.00 0.16 -1.10 -1.23 0.00 0.00 174.94 172.78 1wln s GLN 58 N -2.84 2.21 -0.05 2.79 -1.52 -1.26 -4.93 119.66 114.06 1wln s GLN 58 Ca 0.32 -2.21 -0.09 0.00 -1.95 0.00 0.00 55.36 51.44 1wln s GLN 58 Cb -0.11 -1.78 -0.05 0.00 -0.22 0.00 0.00 33.01 30.85 1wln s GLN 58 CO 0.25 -0.43 0.38 -1.00 -0.25 0.00 0.00 175.29 174.24 1wln h PRO 59 N 1.14 -0.30 -3.40 2.91 0.13 -1.91 0.55 132.00 131.13 1wln h PRO 59 Ca -0.41 0.02 -0.80 0.00 -0.87 0.00 0.00 66.00 63.94 1wln h PRO 59 Cb 1.30 0.07 -0.26 0.00 0.13 0.00 0.00 31.00 32.24 1wln h PRO 59 CO 0.68 -0.20 0.78 1.58 -0.23 0.00 0.00 178.00 180.61 1wln n HIS 60 N -4.70 3.89 0.10 1.56 -0.00 -1.26 -3.00 115.22 111.81 1wln n HIS 60 Ca -0.04 -3.26 -0.04 0.00 0.46 0.00 0.00 57.72 54.84 1wln n HIS 60 Cb 0.12 -1.59 -0.02 0.00 -0.12 0.00 0.00 29.99 28.38 1wln n HIS 60 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1wln h HIS 61 N 6.14 -0.24 -3.41 1.57 2.76 0.21 -3.12 115.15 119.05 1wln h HIS 61 Ca 0.22 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1wln h HIS 61 Cb 0.75 0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.72 1wln h HIS 61 CO 0.92 -0.15 0.02 0.00 -1.30 0.00 0.00 177.93 177.43 1wln s ASP 63 N -3.00 3.65 -0.82 0.00 1.01 0.09 0.13 116.67 117.72 1wln s ASP 63 Ca 0.19 -1.04 -0.22 0.00 0.71 0.00 0.00 52.55 52.18 1wln s ASP 63 Cb -0.03 -1.21 0.07 0.00 1.01 0.00 0.00 42.92 42.76 1wln s ASP 63 CO 0.09 -0.19 1.17 -0.76 0.21 0.00 0.00 175.17 175.69 1wln s LEU 64 N 1.39 4.13 0.02 1.23 1.43 0.52 -3.51 118.68 123.89 1wln s LEU 64 Ca -0.04 -1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 51.78 1wln s LEU 64 Cb -0.18 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1wln s LEU 64 CO -0.07 -1.43 0.19 -0.89 0.23 0.00 0.00 176.35 174.38 1wln s THR 65 N 4.22 5.38 -0.33 5.49 2.01 -1.26 -1.92 115.64 129.24 1wln s THR 65 Ca 0.33 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 1wln s THR 65 Cb -0.08 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 68.93 1wln s THR 65 CO 0.01 0.25 0.06 0.21 -0.69 0.00 0.00 174.62 174.46 1wln s ASN 66 N -2.17 5.01 -0.39 3.53 3.84 -1.23 -3.17 114.94 120.36 1wln s ASN 66 Ca 0.30 -1.46 0.02 0.00 0.21 0.00 0.00 52.86 51.94 1wln s ASN 66 Cb -0.13 -1.75 0.11 0.00 -0.55 0.00 0.00 41.25 38.93 1wln s ASN 66 CO 0.22 -0.33 0.12 -0.04 -2.79 0.00 0.00 177.10 174.28 1wln s MET 67 N 1.23 1.69 -0.40 0.43 -1.94 0.33 -4.54 119.30 116.10 1wln s MET 67 Ca -0.01 -1.98 -0.06 0.00 -1.71 0.00 0.00 55.69 51.92 1wln s MET 67 Cb -0.20 -3.32 0.01 0.00 2.01 0.00 0.00 34.83 33.32 1wln s MET 67 CO -0.02 -1.00 0.45 -0.25 -0.01 0.00 0.00 175.02 174.20 1wln n ASP 68 N 4.16 -6.14 -2.40 3.03 9.92 -1.26 -3.03 116.55 120.83 1wln n ASP 68 Ca 0.03 0.18 -0.03 0.00 -0.53 0.00 0.00 54.79 54.44 1wln n ASP 68 Cb 0.40 -4.06 -0.01 0.00 -0.64 0.00 0.00 41.12 36.82 1wln n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wln n GLY 69 N -0.90 -0.43 2.87 0.44 0.00 -1.26 -4.83 105.19 101.07 1wln n GLY 69 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.84 0.34 -0.03 1.61 1.01 -1.17 -5.00 120.40 115.32 1wln s VAL 70 Ca 0.06 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1wln s VAL 70 Cb -0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1wln s VAL 70 CO 0.07 0.17 -0.25 -0.69 0.00 0.00 0.00 175.10 174.40 1wln s VAL 71 N 0.82 1.97 -0.08 2.92 1.01 -1.26 0.12 120.40 125.91 1wln s VAL 71 Ca -0.09 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 1wln s VAL 71 Cb -0.13 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1wln s VAL 71 CO -0.01 0.56 -0.02 0.42 0.00 0.00 0.00 175.10 176.05 1wln s THR 72 N -0.47 0.57 0.01 3.92 -4.23 -1.19 -1.85 115.64 112.40 1wln s THR 72 Ca 0.06 -0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.26 1wln s THR 72 Cb -0.11 -0.68 -0.07 0.00 1.34 0.00 0.00 72.50 72.99 1wln s THR 72 CO 0.00 0.29 1.60 0.54 -0.54 0.00 0.00 174.62 176.51 1wln s VAL 73 N 1.81 3.37 -0.30 2.29 0.11 0.71 -4.22 120.40 124.18 1wln s VAL 73 Ca 0.04 0.69 0.03 0.00 -2.93 0.00 0.00 61.98 59.80 1wln s VAL 73 Cb -0.12 -3.44 0.08 0.00 -1.53 0.00 0.00 36.38 31.36 1wln s VAL 73 CO -0.06 -0.02 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.78 1wln s THR 74 N 3.10 2.03 -0.26 5.04 2.01 -1.23 -1.26 115.64 125.07 1wln s THR 74 Ca 0.72 -1.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.55 1wln s THR 74 Cb -0.36 -2.35 -0.00 0.00 0.01 0.00 0.00 72.50 69.80 1wln s THR 74 CO 0.30 -0.34 1.33 -2.16 -0.69 0.00 0.00 174.62 173.06 1wln s PRO 75 N 1.09 3.96 0.00 4.92 0.04 -1.26 -0.73 135.00 143.03 1wln s PRO 75 Ca 0.02 1.37 0.27 0.00 0.04 0.00 0.00 61.00 62.70 1wln s PRO 75 Cb -0.19 -3.87 0.93 0.00 0.04 0.00 0.00 34.50 31.41 1wln s PRO 75 CO -0.08 -1.06 1.68 0.54 0.04 0.00 0.00 177.00 178.12 1wln n ARG 76 N 7.22 1.40 -4.38 4.56 5.12 0.48 -4.80 116.66 126.25 1wln n ARG 76 Ca 0.15 -0.82 -0.22 0.00 -1.93 0.00 0.00 57.85 55.03 1wln n ARG 76 Cb 0.46 -1.48 -0.16 0.00 -1.16 0.00 0.00 32.46 30.12 1wln n ARG 76 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1wln s SER 77 N -2.17 1.31 0.37 0.55 0.15 -1.15 -4.95 113.70 107.81 1wln s SER 77 Ca 0.33 -0.21 0.20 0.00 0.70 0.00 0.00 55.95 56.97 1wln s SER 77 Cb 0.20 -0.55 0.46 0.00 -1.71 0.00 0.00 66.02 64.43 1wln s SER 77 CO 0.40 0.01 1.63 0.24 1.20 0.00 0.00 173.24 176.72 1wln h MET 78 N 6.88 0.00 0.01 5.44 2.86 -1.92 -3.07 114.93 125.13 1wln h MET 78 Ca -0.34 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.06 1wln h MET 78 Cb 1.17 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 1wln h MET 78 CO 0.48 0.33 -1.18 -0.44 1.06 0.00 0.00 176.91 177.15 1wln h ASP 79 N 0.00 0.03 -2.05 1.22 5.19 -1.98 -3.43 116.42 115.41 1wln h ASP 79 Ca -0.00 -0.04 -0.51 0.00 -0.62 0.00 0.00 57.03 55.86 1wln h ASP 79 Cb 1.07 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 1wln h ASP 79 CO 0.04 1.03 1.41 0.00 -3.12 0.00 0.00 179.24 178.60 1wln s ALA 80 N -2.68 2.22 -0.22 3.45 0.00 -1.16 -4.92 121.76 118.45 1wln s ALA 80 Ca -0.01 -0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1wln s ALA 80 Cb 0.09 -4.24 -0.01 0.00 0.00 0.00 0.00 23.12 18.96 1wln s ALA 80 CO 0.83 -3.72 1.31 -1.21 0.00 0.00 0.00 175.76 172.97 1wln s GLU 81 N 7.00 4.08 -0.27 0.00 2.02 -1.26 -4.86 118.70 125.40 1wln s GLU 81 Ca 0.78 1.52 0.00 0.00 0.02 0.00 0.00 54.97 57.29 1wln s GLU 81 Cb -0.16 -3.84 0.08 0.00 0.10 0.00 0.00 34.13 30.31 1wln s GLU 81 CO 0.25 -0.91 0.02 0.99 0.02 0.00 0.00 175.26 175.62 1wln s THR 82 N 3.98 1.34 -0.28 3.63 2.01 -1.25 -0.89 115.64 124.18 1wln s THR 82 Ca 0.57 -1.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 1wln s THR 82 Cb -0.20 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.49 1wln s THR 82 CO 0.19 -0.36 0.07 -0.31 -0.69 0.00 0.00 174.62 173.53 1wln s TYR 83 N 1.44 3.12 -0.91 4.92 2.02 -0.48 -2.15 117.35 125.30 1wln s TYR 83 Ca 0.02 -0.80 -0.20 0.00 -0.37 0.00 0.00 57.07 55.72 1wln s TYR 83 Cb -0.18 -2.25 0.11 0.00 -0.40 0.00 0.00 41.96 39.24 1wln s TYR 83 CO -0.12 -0.51 1.16 0.08 -1.57 0.00 0.00 175.55 174.59 1wln s VAL 84 N 1.54 4.54 -0.02 0.71 1.01 0.40 -1.03 120.40 127.54 1wln s VAL 84 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1wln s VAL 84 Cb -0.16 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.40 1wln s VAL 84 CO 0.03 -1.57 0.00 -0.67 0.00 0.00 0.00 175.10 172.88 1wln n ASP 85 N 7.10 -1.70 0.00 3.32 -0.08 0.23 -3.12 116.55 122.30 1wln n ASP 85 Ca 0.22 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1wln n ASP 85 Cb 0.49 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.40 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wln n GLY 86 N -1.64 0.79 3.21 0.27 0.00 -1.24 -4.95 105.19 101.62 1wln n GLY 86 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.66 2.83 0.60 1.61 -0.21 -1.18 -4.98 119.66 117.66 1wln s GLN 87 Ca 0.00 -0.99 -0.17 0.00 0.02 0.00 0.00 55.36 54.22 1wln s GLN 87 Cb 0.00 -3.01 -0.03 0.00 1.00 0.00 0.00 33.01 30.97 1wln s GLN 87 CO 0.00 -0.41 1.13 0.50 -2.12 0.00 0.00 175.29 174.39 1wln s ARG 88 N 1.33 3.06 0.17 2.91 3.52 -1.26 0.15 118.95 128.83 1wln s ARG 88 Ca -0.00 1.55 0.11 0.00 -0.13 0.00 0.00 55.73 57.26 1wln s ARG 88 Cb -0.17 -1.97 -0.04 0.00 -1.56 0.00 0.00 34.95 31.21 1wln s ARG 88 CO -0.04 -1.07 -0.24 0.96 -0.81 0.00 0.00 175.30 174.10 1wln s ILE 89 N -1.99 2.25 0.00 4.11 -4.36 -0.92 -4.85 121.20 115.45 1wln s ILE 89 Ca 0.71 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1wln s ILE 89 Cb -0.23 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.43 1wln s ILE 89 CO 0.34 -0.08 0.26 -0.24 0.24 0.00 0.00 174.94 175.46 1wln n SER 90 N 0.46 0.52 -1.66 4.36 2.88 -1.26 -4.83 113.62 114.09 1wln n SER 90 Ca -0.14 -0.77 -0.03 0.00 -1.33 0.00 0.00 58.87 56.60 1wln n SER 90 Cb 0.55 0.38 0.01 0.00 -0.75 0.00 0.00 64.21 64.40 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 -0.38 0.40 -1.57 -1.46 1.02 -1.26 -4.97 120.64 112.43 1wln n GLU 91 Ca 0.00 -0.83 -0.41 0.00 -0.02 0.00 0.00 57.16 55.90 1wln n GLU 91 Cb 0.01 1.01 -0.04 0.00 -0.02 0.00 0.00 31.44 32.41 1wln n GLU 91 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1wln n THR 92 N -0.20 0.14 -4.59 2.62 -1.04 -1.26 -4.63 114.28 105.34 1wln n THR 92 Ca -0.03 -0.59 -0.34 0.00 -2.04 0.00 0.00 64.05 61.06 1wln n THR 92 Cb 0.22 -2.57 -0.12 0.00 -1.82 0.00 0.00 70.33 66.04 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 9.96 3.68 0.69 12.58 2.01 -0.39 -4.90 115.64 139.27 1wln s THR 93 Ca 1.01 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 62.39 1wln s THR 93 Cb -0.32 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.67 1wln s THR 93 CO 0.33 0.56 1.18 -0.32 -0.69 0.00 0.00 174.62 175.68 1wln s MET 94 N -0.39 2.46 0.07 4.92 1.75 -1.26 -0.21 119.30 126.64 1wln s MET 94 Ca 0.06 1.66 0.09 0.00 -1.25 0.00 0.00 55.69 56.25 1wln s MET 94 Cb -0.12 -1.88 -0.03 0.00 2.84 0.00 0.00 34.83 35.63 1wln s MET 94 CO 0.02 -1.57 -0.25 -0.51 -0.65 0.00 0.00 175.02 172.07 1wln s LEU 95 N -4.89 2.30 -0.03 4.11 1.43 -0.77 -4.78 118.68 116.05 1wln s LEU 95 Ca 0.73 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1wln s LEU 95 Cb -0.27 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.65 1wln s LEU 95 CO 0.42 0.23 -0.06 -1.10 0.23 0.00 0.00 176.35 176.08 1wln s GLN 96 N -1.52 0.82 0.07 1.70 -0.21 -1.26 -4.76 119.66 114.50 1wln s GLN 96 Ca 0.13 -0.17 -0.36 0.00 0.02 0.00 0.00 55.36 54.98 1wln s GLN 96 Cb -0.10 -0.80 -0.18 0.00 1.00 0.00 0.00 33.01 32.93 1wln s GLN 96 CO 0.04 -0.01 1.03 -1.13 -2.12 0.00 0.00 175.29 173.10 1wln n SER 97 N 3.71 0.22 0.00 5.90 3.41 -1.26 -0.25 113.62 125.36 1wln n SER 97 Ca -0.22 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1wln n SER 97 Cb 0.53 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1wln n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wln n GLY 98 N 1.81 2.80 3.76 5.00 0.00 0.22 -4.95 105.19 113.82 1wln n GLY 98 Ca 0.19 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1wln n GLY 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wln n MET 99 N 0.00 2.61 -2.98 1.61 2.00 0.66 -4.72 117.12 116.31 1wln n MET 99 Ca 0.00 0.92 -0.27 0.00 0.00 0.00 0.00 57.70 58.35 1wln n MET 99 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 33.22 30.56 1wln n MET 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1wln s ARG 100 N -1.63 3.59 -0.23 0.03 0.52 -1.26 -1.62 118.95 118.35 1wln s ARG 100 Ca 0.57 0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.84 1wln s ARG 100 Cb -0.50 -2.50 0.07 0.00 0.52 0.00 0.00 34.95 32.55 1wln s ARG 100 CO 0.59 -0.02 0.05 -0.51 0.02 0.00 0.00 175.30 175.44 1wln s LEU 101 N -4.26 1.39 -0.33 2.53 1.02 0.50 -0.60 118.68 118.93 1wln s LEU 101 Ca 0.46 -1.05 -0.12 0.00 0.02 0.00 0.00 54.13 53.44 1wln s LEU 101 Cb -0.10 -0.65 -0.01 0.00 0.02 0.00 0.00 46.19 45.45 1wln s LEU 101 CO 0.38 -0.34 0.21 -1.58 0.02 0.00 0.00 176.35 175.04 1wln s GLN 102 N 1.82 3.45 -0.43 1.70 0.74 -0.20 -0.03 119.66 126.71 1wln s GLN 102 Ca 0.02 -0.66 -0.06 0.00 0.05 0.00 0.00 55.36 54.70 1wln s GLN 102 Cb -0.17 -3.73 0.11 0.00 1.10 0.00 0.00 33.01 30.32 1wln s GLN 102 CO -0.14 -0.43 0.26 -0.06 -0.55 0.00 0.00 175.29 174.36 1wln s PHE 103 N 1.69 3.48 -0.41 1.67 0.08 0.31 -1.39 117.98 123.40 1wln s PHE 103 Ca 0.06 -2.06 -0.01 0.00 0.12 0.00 0.00 56.93 55.03 1wln s PHE 103 Cb -0.17 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.04 1wln s PHE 103 CO 0.09 -0.96 0.17 0.41 -0.10 0.00 0.00 175.22 174.84 1wln n GLY 104 N 4.76 0.37 4.10 4.36 0.00 -0.07 -2.71 105.19 116.00 1wln n GLY 104 Ca -0.06 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.55 -1.18 0.10 2.61 -2.24 -1.26 -4.58 114.28 104.18 1wln n THR 105 Ca -0.03 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1wln n THR 105 Cb 0.53 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.37 -1.68 -4.39 3.42 2.88 -1.24 -5.05 113.62 105.19 1wln n SER 106 Ca -0.25 0.40 -0.44 0.00 -1.33 0.00 0.00 58.87 57.24 1wln n SER 106 Cb 0.60 1.79 -0.04 0.00 -0.75 0.00 0.00 64.21 65.81 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 -2.00 2.97 -0.16 0.66 4.02 -1.10 -4.80 115.29 114.88 1wln s HIS 107 Ca 0.00 -0.96 -0.08 0.00 1.02 0.00 0.00 55.06 55.05 1wln s HIS 107 Cb 0.00 -4.09 -0.04 0.00 -1.02 0.00 0.00 32.58 27.43 1wln s HIS 107 CO 0.00 -1.38 0.10 0.08 1.02 0.00 0.00 174.74 174.56 1wln s VAL 108 N 2.87 5.13 0.07 -0.90 1.01 -1.26 -0.53 120.40 126.79 1wln s VAL 108 Ca 0.16 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1wln s VAL 108 Cb -0.20 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1wln s VAL 108 CO 0.05 0.51 -0.06 -0.36 0.00 0.00 0.00 175.10 175.24 1wln s PHE 109 N -0.12 0.75 -0.18 5.22 0.40 0.96 0.02 117.98 125.02 1wln s PHE 109 Ca 0.09 -0.80 -0.00 0.00 -0.60 0.00 0.00 56.93 55.62 1wln s PHE 109 Cb -0.12 -0.45 0.01 0.00 0.51 0.00 0.00 43.02 42.97 1wln s PHE 109 CO 0.01 -0.16 -0.15 0.21 0.70 0.00 0.00 175.22 175.83 1wln s LYS 110 N -3.09 3.14 0.01 0.44 2.20 -0.49 0.19 119.74 122.14 1wln s LYS 110 Ca 0.04 -0.76 -0.19 0.00 -0.36 0.00 0.00 55.97 54.69 1wln s LYS 110 Cb 0.01 -2.69 -0.06 0.00 -1.51 0.00 0.00 37.83 33.57 1wln s LYS 110 CO -0.04 -0.15 0.56 0.12 -0.36 0.00 0.00 175.35 175.48 1wln s PHE 111 N 1.23 3.71 0.05 4.03 2.19 -0.64 -0.08 117.98 128.47 1wln s PHE 111 Ca 0.03 1.17 0.03 0.00 0.33 0.00 0.00 56.93 58.49 1wln s PHE 111 Cb -0.14 -2.54 -0.03 0.00 -1.31 0.00 0.00 43.02 39.01 1wln s PHE 111 CO -0.07 0.43 -0.09 0.08 1.83 0.00 0.00 175.22 177.40 1wln s VAL 112 N -0.47 0.67 -0.32 3.12 1.01 -0.71 0.70 120.40 124.40 1wln s VAL 112 Ca 0.29 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1wln s VAL 112 Cb -0.18 -0.79 0.09 0.00 0.00 0.00 0.00 36.38 35.50 1wln s VAL 112 CO 0.17 -0.39 0.01 -0.62 0.00 0.00 0.00 175.10 174.27 1wln s ASP 113 N -1.73 4.69 0.43 3.32 2.15 -1.26 -2.26 116.67 122.02 1wln s ASP 113 Ca -0.07 -1.97 0.28 0.00 0.43 0.00 0.00 52.55 51.22 1wln s ASP 113 Cb -0.09 -1.61 0.88 0.00 -0.30 0.00 0.00 42.92 41.80 1wln s ASP 113 CO 0.00 -0.33 1.79 1.55 -0.17 0.00 0.00 175.17 178.01 1wln h PRO 114 N 7.65 0.00 0.05 4.34 0.13 -1.86 -3.20 132.00 139.11 1wln h PRO 114 Ca -0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1wln h PRO 114 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1wln h PRO 114 CO 0.51 0.00 -0.02 1.03 -0.23 0.00 0.00 178.00 179.28 1wln h SER 115 N 0.00 -0.05 -2.01 1.44 0.87 -1.85 -3.45 113.55 108.49 1wln h SER 115 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1wln h SER 115 Cb 0.70 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1wln h SER 115 CO 0.00 0.05 0.00 0.61 -0.53 0.00 0.00 176.83 176.96 1wln n GLY 116 N -0.88 3.05 3.62 5.77 0.00 -1.21 -5.00 105.19 110.53 1wln n GLY 116 Ca -0.08 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 3.84 -0.26 1.61 0.04 -1.26 -4.96 135.00 129.41 1wln s PRO 117 Ca 0.00 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 1wln s PRO 117 Cb 0.00 -3.92 0.13 0.00 0.04 0.00 0.00 34.50 30.74 1wln s PRO 117 CO 0.00 -1.23 0.30 -1.54 0.04 0.00 0.00 177.00 174.57 1wln s SER 118 N 3.16 1.29 -0.11 6.66 1.04 -1.26 -5.03 113.70 119.45 1wln s SER 118 Ca 0.59 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.52 1wln s SER 118 Cb -0.17 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1wln s SER 118 CO 0.26 -0.36 0.15 -1.20 0.98 0.00 0.00 173.24 173.07 1wln n SER 119 N 5.32 -3.24 0.00 7.02 7.64 -1.26 -5.09 113.62 124.01 1wln n SER 119 Ca -0.03 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1wln n SER 119 Cb 0.48 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 1wln n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64