#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 1.26 0.38 1.61 1.04 -1.26 -5.12 113.70 111.61 1wln s SER 2 Ca 0.00 -2.25 0.00 0.00 0.48 0.00 0.00 55.95 54.18 1wln s SER 2 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1wln s SER 2 CO 0.00 -0.21 0.00 -1.54 0.98 0.00 0.00 173.24 172.47 1wln n SER 3 N 3.54 -6.89 -2.26 7.02 3.41 -1.26 -4.92 113.62 112.26 1wln n SER 3 Ca 0.19 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 1wln n SER 3 Cb 0.46 -4.01 0.00 0.00 -0.26 0.00 0.00 64.21 60.40 1wln n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wln n GLY 4 N -3.80 -0.23 3.55 5.00 0.00 -1.26 -4.92 105.19 103.54 1wln n GLY 4 Ca -0.03 -1.73 -0.61 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.72 0.26 -3.07 1.61 7.64 -1.26 -4.88 113.62 113.20 1wln n SER 5 Ca 0.00 1.17 -0.17 0.00 1.01 0.00 0.00 58.87 60.87 1wln n SER 5 Cb 0.00 -0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 62.27 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 2.06 1.31 0.00 6.43 2.88 -1.26 -4.98 113.62 120.06 1wln n SER 6 Ca 0.22 -3.03 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 1wln n SER 6 Cb 0.05 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 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 0.16 1.72 0.20 0.46 0.00 -1.26 -4.98 105.19 101.49 1wln n GLY 7 Ca 0.23 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.15 1.61 0.13 -2.00 -2.63 132.00 128.96 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 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.92 1wln n GLU 9 N -2.77 1.47 -2.62 0.86 0.28 -1.26 -3.65 120.64 112.94 1wln n GLU 9 Ca 0.03 -0.71 -0.11 0.00 -0.16 0.00 0.00 57.16 56.21 1wln n GLU 9 Cb 0.38 -1.28 0.03 0.00 1.43 0.00 0.00 31.44 32.00 1wln n GLU 9 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1wln n LYS 10 N -0.02 1.91 -5.16 3.44 2.85 -0.99 -4.34 118.16 115.84 1wln n LYS 10 Ca 0.12 -3.61 -0.32 0.00 -1.05 0.00 0.00 58.31 53.45 1wln n LYS 10 Cb 0.21 -1.60 -0.15 0.00 -0.65 0.00 0.00 35.03 32.83 1wln n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wln s LEU 11 N -3.42 2.26 0.28 -5.58 1.43 -1.24 -4.48 118.68 107.93 1wln s LEU 11 Ca 0.33 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 1wln s LEU 11 Cb 0.41 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 1wln s LEU 11 CO -0.02 0.28 1.08 -2.16 0.23 0.00 0.00 176.35 175.76 1wln s PRO 12 N -0.37 4.65 0.14 1.29 0.04 -1.26 -4.22 135.00 135.28 1wln s PRO 12 Ca 0.03 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 1wln s PRO 12 Cb -0.12 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 1wln s PRO 12 CO 0.02 0.24 0.16 1.52 0.04 0.00 0.00 177.00 178.98 1wln s TYR 13 N -1.18 0.64 -0.13 0.56 -0.85 -1.08 0.12 117.35 115.43 1wln s TYR 13 Ca 0.44 -1.01 -0.01 0.00 -0.52 0.00 0.00 57.07 55.97 1wln s TYR 13 Cb -0.31 -0.28 -0.02 0.00 0.38 0.00 0.00 41.96 41.73 1wln s TYR 13 CO 0.40 -0.61 -0.11 -0.51 -1.52 0.00 0.00 175.55 173.20 1wln s LEU 14 N -3.01 2.83 -0.24 -3.49 2.01 0.42 -1.35 118.68 115.86 1wln s LEU 14 Ca 0.20 -0.28 -0.05 0.00 0.01 0.00 0.00 54.13 54.01 1wln s LEU 14 Cb 0.06 -1.65 -0.01 0.00 0.01 0.00 0.00 46.19 44.60 1wln s LEU 14 CO 0.01 0.17 -0.01 0.54 1.01 0.00 0.00 176.35 178.07 1wln s VAL 15 N 0.33 3.61 0.09 -1.59 0.11 0.56 -1.84 120.40 121.67 1wln s VAL 15 Ca -0.09 -0.48 -0.36 0.00 -2.93 0.00 0.00 61.98 58.12 1wln s VAL 15 Cb -0.16 -2.69 -0.16 0.00 -1.53 0.00 0.00 36.38 31.85 1wln s VAL 15 CO 0.05 0.35 1.45 1.21 -3.33 0.00 0.00 175.10 174.83 1wln n GLU 16 N 4.82 1.51 -4.43 1.54 2.13 -1.03 0.20 120.64 125.38 1wln n GLU 16 Ca -0.17 0.54 -0.25 0.00 0.66 0.00 0.00 57.16 57.95 1wln n GLU 16 Cb 0.50 -2.24 -0.09 0.00 0.27 0.00 0.00 31.44 29.88 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 0.84 2.81 1.18 4.31 1.43 0.45 -4.75 118.68 124.94 1wln s LEU 17 Ca 0.83 -1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.76 1wln s LEU 17 Cb -0.86 -1.23 0.22 0.00 0.03 0.00 0.00 46.19 44.35 1wln s LEU 17 CO 0.45 -0.10 0.54 -1.20 0.23 0.00 0.00 176.35 176.27 1wln n SER 18 N -0.79 -2.23 0.00 2.29 7.64 0.15 -4.56 113.62 116.12 1wln n SER 18 Ca -0.05 -0.21 0.12 0.00 1.01 0.00 0.00 58.87 59.74 1wln n SER 18 Cb 0.61 -1.10 0.69 0.00 -1.01 0.00 0.00 64.21 63.41 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 -3.73 0.67 -0.00 1.43 -0.04 -1.26 -2.14 135.00 129.93 1wln n PRO 19 Ca 0.02 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1wln n PRO 19 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.05 2.08 0.00 3.54 -0.08 -1.26 -5.01 116.55 114.76 1wln n ASP 20 Ca 0.17 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1wln n ASP 20 Cb 0.10 1.20 0.00 0.00 2.34 0.00 0.00 41.12 44.76 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 1.70 0.67 3.44 0.27 0.00 -0.91 -5.13 105.19 105.23 1wln n GLY 21 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1wln n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wln s SER 22 N -1.20 3.13 -0.22 1.61 0.15 -1.26 -4.84 113.70 111.06 1wln s SER 22 Ca 0.00 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.55 1wln s SER 22 Cb 0.00 -0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1wln s SER 22 CO 0.00 -0.16 -0.13 1.51 1.20 0.00 0.00 173.24 175.67 1wln s ASP 23 N -3.46 3.89 0.00 5.45 -4.77 -1.26 0.33 116.67 116.85 1wln s ASP 23 Ca 0.28 -0.89 0.00 0.00 -3.30 0.00 0.00 52.55 48.64 1wln s ASP 23 Cb -0.00 -1.57 0.00 0.00 -1.09 0.00 0.00 42.92 40.26 1wln s ASP 23 CO 0.12 -0.09 0.00 -0.24 0.70 0.00 0.00 175.17 175.66 1wln n SER 24 N 4.60 0.00 -2.68 2.11 2.88 -1.26 -5.05 113.62 114.22 1wln n SER 24 Ca -0.18 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.34 1wln n SER 24 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1wln n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wln n ARG 25 N 0.00 -1.32 -0.91 -1.46 1.74 -1.26 -4.65 116.66 108.81 1wln n ARG 25 Ca 0.00 1.45 0.12 0.00 -0.77 0.00 0.00 57.85 58.65 1wln n ARG 25 Cb 0.00 -4.85 -0.03 0.00 -1.02 0.00 0.00 32.46 26.56 1wln n ARG 25 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wln n ASP 26 N -1.19 -5.28 -4.62 0.55 2.03 -1.26 -4.36 116.55 102.42 1wln n ASP 26 Ca 0.03 0.37 -0.43 0.00 0.52 0.00 0.00 54.79 55.29 1wln n ASP 26 Cb 0.46 -2.93 -0.03 0.00 -0.72 0.00 0.00 41.12 37.90 1wln n ASP 26 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wln s LYS 27 N -1.87 3.57 0.79 -0.67 1.02 -1.26 -4.97 119.74 116.36 1wln s LYS 27 Ca 0.00 1.77 -0.11 0.00 0.02 0.00 0.00 55.97 57.65 1wln s LYS 27 Cb 0.00 -4.16 0.07 0.00 -0.52 0.00 0.00 37.83 33.22 1wln s LYS 27 CO 0.00 -1.57 1.10 -1.25 -0.92 0.00 0.00 175.35 172.70 1wln s PRO 28 N 5.25 2.11 0.63 -1.68 0.04 -1.26 -5.01 135.00 135.08 1wln s PRO 28 Ca 0.81 0.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 1wln s PRO 28 Cb -0.28 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1wln s PRO 28 CO 0.33 -1.60 1.16 0.21 0.04 0.00 0.00 177.00 177.14 1wln s LYS 29 N -5.15 2.82 0.08 4.56 2.36 -1.26 -4.86 119.74 118.28 1wln s LYS 29 Ca 0.61 1.64 0.05 0.00 -2.55 0.00 0.00 55.97 55.72 1wln s LYS 29 Cb -0.14 -1.93 -0.03 0.00 -1.05 0.00 0.00 37.83 34.68 1wln s LYS 29 CO 0.54 -1.28 -0.15 -1.17 1.55 0.00 0.00 175.35 174.84 1wln s LEU 30 N -4.49 2.29 -0.18 5.43 1.98 -1.26 -2.47 118.68 119.98 1wln s LEU 30 Ca 0.73 -0.64 -0.04 0.00 -2.89 0.00 0.00 54.13 51.28 1wln s LEU 30 Cb -0.26 -0.54 0.08 0.00 0.66 0.00 0.00 46.19 46.13 1wln s LEU 30 CO 0.37 -0.08 0.18 -0.31 -1.89 0.00 0.00 176.35 174.63 1wln s TYR 31 N -1.36 -0.16 0.13 5.38 2.02 -0.77 -4.96 117.35 117.63 1wln s TYR 31 Ca -0.00 0.16 -0.20 0.00 -0.37 0.00 0.00 57.07 56.66 1wln s TYR 31 Cb -0.09 -0.42 -0.07 0.00 -0.40 0.00 0.00 41.96 40.97 1wln s TYR 31 CO 0.02 -0.54 0.63 1.03 -1.57 0.00 0.00 175.55 175.13 1wln s ARG 32 N 2.28 4.25 -1.09 -0.62 0.52 -1.26 -0.44 118.95 122.58 1wln s ARG 32 Ca 0.05 0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 55.97 1wln s ARG 32 Cb -0.15 -3.13 0.26 0.00 0.52 0.00 0.00 34.95 32.45 1wln s ARG 32 CO -0.10 0.56 1.10 -0.51 0.02 0.00 0.00 175.30 176.36 1wln s LEU 33 N -1.41 6.29 0.87 2.53 1.43 0.12 -4.96 118.68 123.55 1wln s LEU 33 Ca 0.34 -3.46 -0.12 0.00 -1.03 0.00 0.00 54.13 49.86 1wln s LEU 33 Cb -0.19 -2.22 0.10 0.00 0.03 0.00 0.00 46.19 43.91 1wln s LEU 33 CO 0.21 -0.35 1.07 0.00 0.23 0.00 0.00 176.35 177.51 1wln n GLN 34 N 3.05 -0.14 -0.94 1.70 6.02 -1.26 -4.60 117.38 121.21 1wln n GLN 34 Ca 0.24 0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.90 1wln n GLN 34 Cb 0.40 -2.33 0.06 0.00 1.02 0.00 0.00 30.24 29.39 1wln n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wln n LEU 35 N -3.38 -4.08 0.00 1.08 4.77 -1.26 -4.59 117.00 109.54 1wln n LEU 35 Ca 0.12 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1wln n LEU 35 Cb 0.51 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1wln n LEU 35 CO 0.49 -4.47 0.00 -1.20 -1.33 0.00 0.00 177.39 170.88 1wln n SER 36 N 2.40 0.00 -4.63 -1.43 7.64 -1.26 -4.91 113.62 111.43 1wln n SER 36 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.62 1wln n SER 36 Cb 0.62 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.74 1wln n SER 36 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wln s VAL 37 N 0.00 3.45 -0.30 0.44 1.01 -1.26 -2.79 120.40 120.95 1wln s VAL 37 Ca 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 61.98 60.25 1wln s VAL 37 Cb 0.00 -2.77 0.10 0.00 0.00 0.00 0.00 36.38 33.71 1wln s VAL 37 CO 0.00 -0.22 0.13 -0.89 0.00 0.00 0.00 175.10 174.12 1wln s THR 38 N -1.97 0.10 -0.24 3.92 2.01 -1.10 -4.85 115.64 113.52 1wln s THR 38 Ca 0.28 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 1wln s THR 38 Cb -0.08 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.33 1wln s THR 38 CO 0.18 -0.74 1.18 -1.61 -0.69 0.00 0.00 174.62 172.94 1wln s GLU 39 N 1.94 4.14 0.34 4.92 8.01 -1.26 -1.19 118.70 135.62 1wln s GLU 39 Ca 0.10 1.39 0.04 0.00 0.01 0.00 0.00 54.97 56.50 1wln s GLU 39 Cb -0.17 -3.75 -0.02 0.00 -4.31 0.00 0.00 34.13 25.89 1wln s GLU 39 CO -0.32 -0.81 0.51 0.08 0.01 0.00 0.00 175.26 174.73 1wln s VAL 40 N 3.63 4.52 0.00 2.63 1.01 0.68 -3.37 120.40 129.50 1wln s VAL 40 Ca 0.50 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1wln s VAL 40 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1wln s VAL 40 CO 0.14 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1wln n GLY 41 N -1.72 0.49 0.00 4.51 0.00 -1.12 0.37 105.19 107.71 1wln n GLY 41 Ca -0.03 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.44 -4.24 2.61 -2.24 0.39 0.13 114.28 111.37 1wln n THR 42 Ca 0.00 -0.59 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 1wln n THR 42 Cb 0.00 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.44 2.05 -0.35 -0.78 0.41 -1.20 -4.91 118.70 113.47 1wln s GLU 43 Ca 0.00 -1.06 -0.09 0.00 -0.41 0.00 0.00 54.97 53.41 1wln s GLU 43 Cb 0.00 -2.26 0.03 0.00 -1.78 0.00 0.00 34.13 30.11 1wln s GLU 43 CO 0.00 0.50 0.16 0.21 -0.49 0.00 0.00 175.26 175.64 1wln s LYS 44 N -2.20 2.83 0.00 1.61 2.20 -1.26 -4.77 119.74 118.15 1wln s LYS 44 Ca 0.21 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1wln s LYS 44 Cb -0.11 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1wln s LYS 44 CO 0.13 -0.64 0.00 1.19 -0.36 0.00 0.00 175.35 175.67 1wln n PHE 45 N 4.93 0.00 -0.48 4.03 3.01 -1.26 -5.05 117.46 122.64 1wln n PHE 45 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1wln n PHE 45 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1wln n PHE 45 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1wln n ASP 46 N -2.19 -0.47 0.00 4.37 2.03 -1.26 -5.00 116.55 114.03 1wln n ASP 46 Ca 0.00 -0.48 -0.19 0.00 0.52 0.00 0.00 54.79 54.65 1wln n ASP 46 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 1wln n ASP 46 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wln n ASP 47 N -2.14 1.85 -3.17 1.67 -0.08 -1.26 -4.36 116.55 109.06 1wln n ASP 47 Ca 0.00 0.26 -0.32 0.00 -1.51 0.00 0.00 54.79 53.22 1wln n ASP 47 Cb 0.00 -0.69 -0.02 0.00 2.34 0.00 0.00 41.12 42.75 1wln n ASP 47 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1wln n ASN 48 N -3.39 5.41 -4.90 1.67 4.13 -1.26 -5.03 115.26 111.89 1wln n ASN 48 Ca -0.29 -3.69 -0.28 0.00 1.68 0.00 0.00 54.58 52.01 1wln n ASN 48 Cb 1.05 -0.76 -0.04 0.00 -1.54 0.00 0.00 39.78 38.49 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 -2.78 6.13 -0.14 6.41 1.04 -1.26 -4.79 113.70 118.30 1wln s SER 49 Ca 0.46 0.13 -0.22 0.00 0.48 0.00 0.00 55.95 56.80 1wln s SER 49 Cb 0.25 -1.80 -0.03 0.00 0.10 0.00 0.00 66.02 64.54 1wln s SER 49 CO -0.13 0.10 0.66 -0.63 0.98 0.00 0.00 173.24 174.22 1wln s ILE 50 N -1.64 5.03 -0.35 -1.02 1.01 -1.22 -5.01 121.20 118.00 1wln s ILE 50 Ca 0.34 1.30 0.04 0.00 0.00 0.00 0.00 60.65 62.32 1wln s ILE 50 Cb -0.12 -3.99 0.10 0.00 0.01 0.00 0.00 42.46 38.47 1wln s ILE 50 CO 0.27 0.17 0.07 -1.58 0.00 0.00 0.00 174.94 173.87 1wln s GLN 51 N 1.44 1.52 0.43 2.79 0.74 -1.26 -2.81 119.66 122.51 1wln s GLN 51 Ca 0.32 -1.93 0.08 0.00 0.05 0.00 0.00 55.36 53.88 1wln s GLN 51 Cb -0.16 -3.22 0.01 0.00 1.10 0.00 0.00 33.01 30.73 1wln s GLN 51 CO 0.13 -0.95 0.52 -0.51 -0.55 0.00 0.00 175.29 173.92 1wln s LEU 52 N 0.82 3.50 -0.16 3.68 2.01 0.34 -4.96 118.68 123.91 1wln s LEU 52 Ca 0.11 -0.59 -0.04 0.00 0.01 0.00 0.00 54.13 53.63 1wln s LEU 52 Cb -0.20 -2.34 0.08 0.00 0.01 0.00 0.00 46.19 43.75 1wln s LEU 52 CO -0.07 -0.77 0.24 -0.36 1.01 0.00 0.00 176.35 176.39 1wln s PHE 53 N -2.43 -0.36 0.20 0.29 0.40 -1.26 -3.93 117.98 110.89 1wln s PHE 53 Ca 0.53 0.62 -0.23 0.00 -0.60 0.00 0.00 56.93 57.25 1wln s PHE 53 Cb -0.07 -0.19 0.05 0.00 0.51 0.00 0.00 43.02 43.32 1wln s PHE 53 CO 0.31 -0.47 0.68 0.20 0.70 0.00 0.00 175.22 176.65 1wln s GLY 54 N 2.38 -0.38 -0.45 4.36 0.00 -1.26 -5.01 107.32 106.96 1wln s GLY 54 Ca 0.04 0.18 -0.28 0.00 0.00 0.00 0.00 44.72 44.66 1wln s GLY 54 CO -0.10 0.06 1.43 2.56 0.00 0.00 0.00 173.10 177.05 1wln s PRO 55 N -3.76 3.48 0.00 2.90 0.04 -1.26 -2.56 135.00 133.85 1wln s PRO 55 Ca 0.06 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1wln s PRO 55 Cb -0.03 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1wln s PRO 55 CO -0.04 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1wln n GLY 56 N 5.15 1.44 3.87 0.56 0.00 -1.26 -4.73 105.19 110.21 1wln n GLY 56 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 4.97 0.53 -0.61 -1.09 -1.06 -4.68 121.20 117.27 1wln s ILE 57 Ca 0.00 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.72 1wln s ILE 57 Cb 0.00 -3.48 0.01 0.00 -1.58 0.00 0.00 42.46 37.41 1wln s ILE 57 CO 0.00 0.02 0.06 -1.10 -1.23 0.00 0.00 174.94 172.69 1wln s GLN 58 N -2.81 2.24 -0.06 2.79 -1.52 -1.26 -4.94 119.66 114.10 1wln s GLN 58 Ca 0.33 -2.41 -0.10 0.00 -1.95 0.00 0.00 55.36 51.23 1wln s GLN 58 Cb -0.12 -1.59 -0.06 0.00 -0.22 0.00 0.00 33.01 31.03 1wln s GLN 58 CO 0.26 -0.46 0.41 -1.00 -0.25 0.00 0.00 175.29 174.25 1wln h PRO 59 N 1.19 -0.32 -3.22 2.91 0.13 -1.91 0.11 132.00 130.90 1wln h PRO 59 Ca -0.43 0.02 -0.79 0.00 -0.87 0.00 0.00 66.00 63.93 1wln h PRO 59 Cb 1.33 0.07 -0.29 0.00 0.13 0.00 0.00 31.00 32.24 1wln h PRO 59 CO 0.71 -0.19 0.54 1.58 -0.23 0.00 0.00 178.00 180.41 1wln n HIS 60 N -5.00 3.83 0.01 1.56 -0.00 -1.26 -3.12 115.22 111.25 1wln n HIS 60 Ca -0.04 -3.34 -0.00 0.00 0.46 0.00 0.00 57.72 54.79 1wln n HIS 60 Cb 0.14 -1.44 -0.00 0.00 -0.12 0.00 0.00 29.99 28.57 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 5.99 -0.02 -3.49 1.57 2.76 -0.28 -3.31 115.15 118.38 1wln h HIS 61 Ca 0.19 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1wln h HIS 61 Cb 0.75 0.01 -0.09 0.00 1.55 0.00 0.00 27.41 29.62 1wln h HIS 61 CO 0.87 -0.01 -0.05 0.00 -1.30 0.00 0.00 177.93 177.43 1wln s ASP 63 N -2.95 3.94 -0.55 0.00 1.47 -0.36 -0.23 116.67 117.99 1wln s ASP 63 Ca 0.16 -0.22 0.02 0.00 1.18 0.00 0.00 52.55 53.69 1wln s ASP 63 Cb -0.01 -0.80 0.14 0.00 -0.34 0.00 0.00 42.92 41.91 1wln s ASP 63 CO 0.04 0.34 0.31 -0.76 0.68 0.00 0.00 175.17 175.79 1wln s LEU 64 N -0.72 4.67 0.16 2.11 1.43 -0.33 -2.62 118.68 123.38 1wln s LEU 64 Ca 0.11 -2.91 -0.05 0.00 -1.03 0.00 0.00 54.13 50.25 1wln s LEU 64 Cb -0.11 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1wln s LEU 64 CO 0.00 -0.29 0.41 -0.89 0.23 0.00 0.00 176.35 175.81 1wln s THR 65 N -0.14 5.12 -0.31 5.49 2.01 -1.26 -2.72 115.64 123.84 1wln s THR 65 Ca 0.17 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.28 1wln s THR 65 Cb -0.24 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 68.72 1wln s THR 65 CO -0.02 0.01 -0.00 0.21 -0.69 0.00 0.00 174.62 174.13 1wln s ASN 66 N -2.45 4.74 -0.39 3.53 2.47 -1.12 -3.84 114.94 117.87 1wln s ASN 66 Ca 0.42 -1.65 0.03 0.00 0.42 0.00 0.00 52.86 52.08 1wln s ASN 66 Cb -0.12 -1.64 0.11 0.00 -1.45 0.00 0.00 41.25 38.15 1wln s ASN 66 CO 0.24 -0.30 0.12 -0.04 -3.72 0.00 0.00 177.10 173.40 1wln s MET 67 N 1.09 1.65 -0.71 0.43 -1.94 0.16 -4.54 119.30 115.43 1wln s MET 67 Ca -0.01 -2.06 -0.02 0.00 -1.71 0.00 0.00 55.69 51.90 1wln s MET 67 Cb -0.20 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.35 1wln s MET 67 CO -0.05 -0.99 0.60 -3.47 -0.01 0.00 0.00 175.02 171.10 1wln n ASP 68 N 3.99 -3.19 -1.62 3.03 2.03 -1.26 -2.50 116.55 117.03 1wln n ASP 68 Ca 0.04 -0.41 -0.20 0.00 0.52 0.00 0.00 54.79 54.74 1wln n ASP 68 Cb 0.40 -3.40 -0.08 0.00 -0.72 0.00 0.00 41.12 37.31 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 -1.18 1.85 3.41 0.27 0.00 -1.26 -4.95 105.19 103.33 1wln n GLY 69 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.73 2.77 -0.01 1.61 1.01 -1.04 -5.02 120.40 116.98 1wln s VAL 70 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1wln s VAL 70 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1wln s VAL 70 CO 0.00 0.58 -0.05 -0.69 0.00 0.00 0.00 175.10 174.94 1wln s VAL 71 N -0.50 0.42 -0.07 2.92 1.01 -1.26 0.38 120.40 123.31 1wln s VAL 71 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1wln s VAL 71 Cb -0.12 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1wln s VAL 71 CO 0.01 0.14 0.03 0.42 0.00 0.00 0.00 175.10 175.70 1wln s THR 72 N 0.17 0.18 -0.13 3.92 -4.23 -1.25 -1.48 115.64 112.82 1wln s THR 72 Ca -0.02 0.20 -0.29 0.00 -1.18 0.00 0.00 61.69 60.40 1wln s THR 72 Cb -0.06 -0.41 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 1wln s THR 72 CO -0.00 0.19 1.70 0.54 -0.54 0.00 0.00 174.62 176.51 1wln s VAL 73 N 2.05 3.55 -0.31 2.29 0.11 0.72 -4.47 120.40 124.34 1wln s VAL 73 Ca 0.05 0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1wln s VAL 73 Cb -0.12 -3.50 0.07 0.00 -1.53 0.00 0.00 36.38 31.30 1wln s VAL 73 CO -0.05 -0.15 0.00 -0.89 -3.33 0.00 0.00 175.10 170.68 1wln s THR 74 N 4.91 2.69 -0.33 5.04 2.01 -1.08 -1.63 115.64 127.26 1wln s THR 74 Ca 0.76 -1.69 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 1wln s THR 74 Cb -0.30 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1wln s THR 74 CO 0.31 -0.23 1.37 -2.16 -0.69 0.00 0.00 174.62 173.21 1wln s PRO 75 N 1.14 3.80 0.38 4.92 0.04 -1.26 -1.23 135.00 142.79 1wln s PRO 75 Ca -0.02 1.19 0.20 0.00 0.04 0.00 0.00 61.00 62.41 1wln s PRO 75 Cb -0.20 -3.94 0.29 0.00 0.04 0.00 0.00 34.50 30.69 1wln s PRO 75 CO -0.04 -1.27 1.57 0.00 0.04 0.00 0.00 177.00 177.30 1wln h ARG 76 N 9.86 0.00 -4.93 4.56 2.47 -1.59 -3.44 114.38 121.31 1wln h ARG 76 Ca -0.27 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 57.90 1wln h ARG 76 Cb 1.11 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 29.10 1wln h ARG 76 CO 1.05 0.22 -0.83 -1.12 0.56 0.00 0.00 179.97 179.85 1wln s SER 77 N -6.29 2.03 0.25 7.04 0.01 -1.23 -5.02 113.70 110.49 1wln s SER 77 Ca 0.05 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1wln s SER 77 Cb 0.06 -0.77 0.31 0.00 0.21 0.00 0.00 66.02 65.84 1wln s SER 77 CO 0.69 0.10 1.66 0.24 0.41 0.00 0.00 173.24 176.34 1wln h MET 78 N 6.62 0.51 -0.75 12.44 2.86 -1.92 -2.75 114.93 131.94 1wln h MET 78 Ca -0.30 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1wln h MET 78 Cb 1.19 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.80 1wln h MET 78 CO 0.48 0.78 0.48 -0.44 1.06 0.00 0.00 176.91 179.26 1wln h ASP 79 N 0.43 0.88 -1.74 1.22 3.32 -1.98 -3.38 116.42 115.18 1wln h ASP 79 Ca 0.05 -0.03 -0.46 0.00 0.02 0.00 0.00 57.03 56.61 1wln h ASP 79 Cb 0.79 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1wln h ASP 79 CO 0.06 0.66 1.32 0.00 -1.72 0.00 0.00 179.24 179.56 1wln s ALA 80 N -5.82 1.96 -0.06 3.45 0.00 -1.04 -4.91 121.76 115.35 1wln s ALA 80 Ca -0.11 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1wln s ALA 80 Cb 0.18 -4.35 -0.05 0.00 0.00 0.00 0.00 23.12 18.90 1wln s ALA 80 CO 0.79 -4.17 1.67 -1.21 0.00 0.00 0.00 175.76 172.84 1wln s GLU 81 N 7.36 4.14 -0.28 0.00 8.01 -1.26 -4.87 118.70 131.80 1wln s GLU 81 Ca 0.75 2.17 0.01 0.00 0.01 0.00 0.00 54.97 57.91 1wln s GLU 81 Cb -0.13 -4.00 0.08 0.00 -4.31 0.00 0.00 34.13 25.77 1wln s GLU 81 CO 0.19 -0.90 0.02 0.99 0.01 0.00 0.00 175.26 175.58 1wln s THR 82 N 4.19 1.41 -0.29 3.63 2.01 -1.26 -0.20 115.64 125.13 1wln s THR 82 Ca 0.74 -1.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 1wln s THR 82 Cb -0.33 -1.90 -0.00 0.00 0.01 0.00 0.00 72.50 70.28 1wln s THR 82 CO 0.30 -0.40 0.10 -0.31 -0.69 0.00 0.00 174.62 173.62 1wln s TYR 83 N 1.39 3.15 -0.83 4.92 2.02 -0.96 -1.58 117.35 125.46 1wln s TYR 83 Ca 0.03 -0.76 -0.17 0.00 -0.37 0.00 0.00 57.07 55.80 1wln s TYR 83 Cb -0.18 -2.29 0.16 0.00 -0.40 0.00 0.00 41.96 39.25 1wln s TYR 83 CO -0.13 -0.51 0.91 0.08 -1.57 0.00 0.00 175.55 174.33 1wln s VAL 84 N 1.55 5.09 0.00 0.71 1.01 0.31 -1.86 120.40 127.21 1wln s VAL 84 Ca 0.04 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.20 1wln s VAL 84 Cb -0.17 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.61 1wln s VAL 84 CO 0.04 -1.25 0.00 -0.67 0.00 0.00 0.00 175.10 173.22 1wln n ASP 85 N 5.51 -1.51 -0.15 3.32 -0.08 0.23 -3.56 116.55 120.30 1wln n ASP 85 Ca 0.14 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.40 1wln n ASP 85 Cb 0.47 -0.49 -0.00 0.00 2.34 0.00 0.00 41.12 43.44 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 -0.71 0.38 2.72 0.27 0.00 -1.26 -4.90 105.19 101.69 1wln n GLY 86 Ca 0.00 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.36 0.39 0.16 1.61 -0.21 -1.23 -5.05 119.66 111.96 1wln s GLN 87 Ca 0.00 0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.10 1wln s GLN 87 Cb 0.00 -1.24 -0.08 0.00 1.00 0.00 0.00 33.01 32.69 1wln s GLN 87 CO 0.00 -0.44 1.27 0.50 -2.12 0.00 0.00 175.29 174.50 1wln s ARG 88 N 2.02 4.42 0.13 2.91 3.52 -1.26 0.11 118.95 130.81 1wln s ARG 88 Ca 0.03 1.95 0.03 0.00 -0.13 0.00 0.00 55.73 57.61 1wln s ARG 88 Cb -0.14 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1wln s ARG 88 CO -0.06 -0.22 0.23 0.96 -0.81 0.00 0.00 175.30 175.40 1wln s ILE 89 N 0.35 5.14 -0.04 4.11 -4.36 -0.62 -4.92 121.20 120.86 1wln s ILE 89 Ca 0.57 -0.71 0.06 0.00 -0.26 0.00 0.00 60.65 60.31 1wln s ILE 89 Cb -0.34 -3.61 -0.09 0.00 1.25 0.00 0.00 42.46 39.67 1wln s ILE 89 CO 0.35 -0.04 0.15 -1.54 0.24 0.00 0.00 174.94 174.10 1wln n SER 90 N -0.31 3.20 -2.38 4.36 3.41 -1.26 -4.82 113.62 115.83 1wln n SER 90 Ca -0.07 -0.07 -0.11 0.00 -0.26 0.00 0.00 58.87 58.36 1wln n SER 90 Cb 0.53 1.26 -0.04 0.00 -0.26 0.00 0.00 64.21 65.70 1wln n SER 90 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wln n GLU 91 N -1.66 0.34 -1.52 4.33 -0.58 -1.26 -4.90 120.64 115.39 1wln n GLU 91 Ca -0.01 -2.02 -0.43 0.00 -0.42 0.00 0.00 57.16 54.28 1wln n GLU 91 Cb 0.16 1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 32.72 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 -0.39 0.11 -4.38 2.62 -1.04 -1.26 -4.69 114.28 105.24 1wln n THR 92 Ca 0.03 -0.45 -0.34 0.00 -2.04 0.00 0.00 64.05 61.25 1wln n THR 92 Cb 0.39 -2.08 -0.11 0.00 -1.82 0.00 0.00 70.33 66.71 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 9.36 4.08 0.59 12.58 2.01 -0.64 -4.92 115.64 138.70 1wln s THR 93 Ca 1.07 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 62.58 1wln s THR 93 Cb -0.58 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1wln s THR 93 CO 0.39 0.53 1.16 -0.32 -0.69 0.00 0.00 174.62 175.69 1wln s MET 94 N -0.13 3.05 -0.11 4.92 1.75 -1.26 -0.20 119.30 127.33 1wln s MET 94 Ca 0.03 1.68 -0.01 0.00 -1.25 0.00 0.00 55.69 56.14 1wln s MET 94 Cb -0.13 -1.96 -0.03 0.00 2.84 0.00 0.00 34.83 35.56 1wln s MET 94 CO 0.02 -1.11 -0.06 -0.51 -0.65 0.00 0.00 175.02 172.72 1wln s LEU 95 N -4.14 3.20 -0.02 4.11 1.43 -0.55 -4.80 118.68 117.92 1wln s LEU 95 Ca 0.74 -0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 1wln s LEU 95 Cb -0.26 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1wln s LEU 95 CO 0.32 0.28 -0.21 -1.10 0.23 0.00 0.00 176.35 175.87 1wln s GLN 96 N -0.29 1.71 0.00 1.70 -0.21 -1.26 -4.78 119.66 116.54 1wln s GLN 96 Ca 0.04 -0.75 -0.38 0.00 0.02 0.00 0.00 55.36 54.29 1wln s GLN 96 Cb -0.13 -1.65 -0.18 0.00 1.00 0.00 0.00 33.01 32.06 1wln s GLN 96 CO 0.02 0.44 1.33 -1.13 -2.12 0.00 0.00 175.29 173.83 1wln n SER 97 N 2.58 1.29 0.00 5.90 3.41 -1.25 -0.41 113.62 125.14 1wln n SER 97 Ca -0.15 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1wln n SER 97 Cb 0.53 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 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 2.50 3.10 3.45 5.00 0.00 0.52 -4.95 105.19 114.81 1wln n GLY 98 Ca 0.20 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 0.52 -3.66 1.61 2.00 0.45 -4.46 117.12 113.57 1wln n MET 99 Ca 0.00 0.19 -0.36 0.00 0.00 0.00 0.00 57.70 57.52 1wln n MET 99 Cb 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 33.22 31.75 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 -1.38 3.98 -0.37 0.03 0.52 -1.26 -0.43 118.95 120.03 1wln s ARG 100 Ca 0.62 0.02 -0.07 0.00 -0.52 0.00 0.00 55.73 55.78 1wln s ARG 100 Cb -0.69 -3.33 0.06 0.00 0.52 0.00 0.00 34.95 31.51 1wln s ARG 100 CO 0.59 0.46 0.16 -0.51 0.02 0.00 0.00 175.30 176.02 1wln s LEU 101 N -0.18 4.68 -0.23 2.53 1.02 0.60 0.77 118.68 127.87 1wln s LEU 101 Ca 0.15 -1.37 -0.06 0.00 0.02 0.00 0.00 54.13 52.87 1wln s LEU 101 Cb -0.13 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 1wln s LEU 101 CO 0.04 -0.42 0.04 -1.58 0.02 0.00 0.00 176.35 174.46 1wln s GLN 102 N 1.37 3.66 -0.81 1.70 0.74 -0.78 -0.56 119.66 124.97 1wln s GLN 102 Ca 0.01 -0.49 -0.04 0.00 0.05 0.00 0.00 55.36 54.90 1wln s GLN 102 Cb -0.21 -3.23 0.20 0.00 1.10 0.00 0.00 33.01 30.87 1wln s GLN 102 CO 0.02 -0.09 0.69 -0.06 -0.55 0.00 0.00 175.29 175.29 1wln s PHE 103 N 1.33 3.74 0.00 1.67 0.08 -0.76 -2.25 117.98 121.79 1wln s PHE 103 Ca 0.05 -2.81 0.00 0.00 0.12 0.00 0.00 56.93 54.28 1wln s PHE 103 Cb -0.15 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.99 1wln s PHE 103 CO 0.03 -0.81 0.00 0.41 -0.10 0.00 0.00 175.22 174.75 1wln n GLY 104 N 2.88 0.89 0.00 4.36 0.00 0.72 -4.42 105.19 109.62 1wln n GLY 104 Ca 0.16 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1wln n GLY 104 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wln n THR 105 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.78 114.28 116.50 1wln n THR 105 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wln n THR 105 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wln n THR 105 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wln n SER 106 N 0.00 0.00 -4.49 1.09 3.41 -1.26 -4.95 113.62 107.42 1wln n SER 106 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1wln n SER 106 Cb 0.00 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1wln s HIS 107 N -1.10 3.23 -0.16 7.33 4.02 -1.26 -5.00 115.29 122.35 1wln s HIS 107 Ca 0.00 -0.44 0.00 0.00 1.02 0.00 0.00 55.06 55.65 1wln s HIS 107 Cb 0.00 -2.53 0.03 0.00 -1.02 0.00 0.00 32.58 29.05 1wln s HIS 107 CO 0.00 -0.49 -0.13 0.08 1.02 0.00 0.00 174.74 175.22 1wln s VAL 108 N 1.69 1.55 0.26 -0.90 1.01 -1.26 -1.83 120.40 120.92 1wln s VAL 108 Ca 0.05 -0.69 0.12 0.00 0.00 0.00 0.00 61.98 61.46 1wln s VAL 108 Cb -0.18 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1wln s VAL 108 CO 0.10 0.39 -0.19 -0.36 0.00 0.00 0.00 175.10 175.04 1wln s PHE 109 N 1.48 2.33 -0.25 5.22 0.08 0.27 0.17 117.98 127.29 1wln s PHE 109 Ca 0.04 -0.32 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 1wln s PHE 109 Cb -0.13 -1.05 0.01 0.00 -0.57 0.00 0.00 43.02 41.28 1wln s PHE 109 CO -0.10 0.66 -0.02 0.21 -0.10 0.00 0.00 175.22 175.87 1wln s LYS 110 N -3.33 3.15 -0.05 0.44 2.20 0.52 0.22 119.74 122.89 1wln s LYS 110 Ca 0.28 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 1wln s LYS 110 Cb -0.06 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 1wln s LYS 110 CO 0.14 -0.32 1.08 0.12 -0.36 0.00 0.00 175.35 176.02 1wln s PHE 111 N 1.44 3.43 0.04 4.03 2.19 0.42 -0.33 117.98 129.21 1wln s PHE 111 Ca 0.03 1.46 0.05 0.00 0.33 0.00 0.00 56.93 58.81 1wln s PHE 111 Cb -0.16 -3.27 -0.02 0.00 -1.31 0.00 0.00 43.02 38.26 1wln s PHE 111 CO -0.02 -0.63 -0.14 0.08 1.83 0.00 0.00 175.22 176.33 1wln s VAL 112 N 1.80 1.12 -0.41 3.12 1.01 -0.45 0.20 120.40 126.78 1wln s VAL 112 Ca 0.52 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1wln s VAL 112 Cb -0.22 -1.02 0.10 0.00 0.00 0.00 0.00 36.38 35.24 1wln s VAL 112 CO 0.22 -0.01 0.23 -0.62 0.00 0.00 0.00 175.10 174.91 1wln s ASP 113 N -1.19 5.39 0.00 3.32 -1.08 -1.26 -2.64 116.67 119.21 1wln s ASP 113 Ca 0.01 -1.84 0.23 0.00 -0.52 0.00 0.00 52.55 50.44 1wln s ASP 113 Cb -0.08 -1.89 1.23 0.00 -1.46 0.00 0.00 42.92 40.73 1wln s ASP 113 CO 0.01 -0.55 1.76 -0.81 0.52 0.00 0.00 175.17 176.10 1wln n PRO 114 N 4.72 0.46 -0.21 4.34 -0.04 -1.26 -3.14 135.00 139.86 1wln n PRO 114 Ca -0.06 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1wln n PRO 114 Cb 0.42 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1wln n PRO 114 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wln h SER 115 N 0.00 0.87 -2.03 3.54 0.02 -1.78 -3.41 113.55 110.76 1wln h SER 115 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1wln h SER 115 Cb 0.15 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1wln h SER 115 CO 0.00 0.86 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 1wln n GLY 116 N -0.69 3.44 3.58 -3.77 0.00 -1.19 -4.85 105.19 101.72 1wln n GLY 116 Ca 0.03 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 -4.59 3.23 -0.39 1.61 0.04 -1.26 -4.29 135.00 129.34 1wln s PRO 117 Ca 0.00 -1.47 -0.12 0.00 0.04 0.00 0.00 61.00 59.45 1wln s PRO 117 Cb 0.00 -5.37 0.02 0.00 0.04 0.00 0.00 34.50 29.19 1wln s PRO 117 CO 0.00 -3.07 0.43 0.45 0.04 0.00 0.00 177.00 174.85 1wln n SER 118 N 11.35 -7.93 -4.52 6.66 2.88 -1.26 -4.80 113.62 116.00 1wln n SER 118 Ca 0.45 0.78 -0.54 0.00 -1.33 0.00 0.00 58.87 58.23 1wln n SER 118 Cb 0.47 -5.27 -0.06 0.00 -0.75 0.00 0.00 64.21 58.59 1wln n SER 118 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wln n SER 119 N 0.00 0.45 0.00 -3.46 2.88 -1.26 -5.28 113.62 106.96 1wln n SER 119 Ca 0.08 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1wln n SER 119 Cb 0.34 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1wln n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42