#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wln n SER 2 N 0.00 -7.82 -3.89 1.61 7.64 -1.26 -5.03 113.62 104.87 1wln n SER 2 Ca 0.00 1.18 -0.22 0.00 1.01 0.00 0.00 58.87 60.84 1wln n SER 2 Cb 0.00 -4.83 -0.17 0.00 -1.01 0.00 0.00 64.21 58.20 1wln n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wln s SER 3 N -1.67 1.42 0.95 6.43 0.15 -1.26 -5.15 113.70 114.57 1wln s SER 3 Ca 0.04 -0.17 -0.14 0.00 0.70 0.00 0.00 55.95 56.38 1wln s SER 3 Cb -0.01 -0.57 0.16 0.00 -1.71 0.00 0.00 66.02 63.89 1wln s SER 3 CO 0.69 -0.08 1.17 -0.83 1.20 0.00 0.00 173.24 175.39 1wln s GLY 4 N 1.23 1.61 0.18 9.45 0.00 -1.26 -5.07 107.32 113.46 1wln s GLY 4 Ca -0.06 -0.71 0.05 0.00 0.00 0.00 0.00 44.72 44.01 1wln s GLY 4 CO -0.02 -0.08 0.13 -1.35 0.00 0.00 0.00 173.10 171.78 1wln s SER 5 N -4.22 5.45 -0.46 1.64 1.04 -1.26 -5.07 113.70 110.82 1wln s SER 5 Ca 0.66 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.99 1wln s SER 5 Cb -0.12 -1.40 0.22 0.00 0.10 0.00 0.00 66.02 64.82 1wln s SER 5 CO 0.53 0.06 0.67 -1.20 0.98 0.00 0.00 173.24 174.28 1wln n SER 6 N -0.43 -1.96 -3.03 7.02 7.64 -1.26 -5.00 113.62 116.60 1wln n SER 6 Ca -0.08 -2.91 -0.09 0.00 1.01 0.00 0.00 58.87 56.80 1wln n SER 6 Cb 0.55 0.86 0.01 0.00 -1.01 0.00 0.00 64.21 64.62 1wln n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wln n GLY 7 N 2.13 -1.17 0.12 0.23 0.00 -1.26 -4.85 105.19 100.39 1wln n GLY 7 Ca 0.18 0.94 -0.06 0.00 0.00 0.00 0.00 46.02 47.08 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 1.33 0.11 0.00 1.61 0.13 -2.01 -2.81 132.00 130.37 1wln h PRO 8 Ca -0.08 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1wln h PRO 8 Cb 1.06 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1wln h PRO 8 CO 0.25 0.83 0.00 -0.85 -0.23 0.00 0.00 178.00 178.00 1wln n GLU 9 N -3.68 0.98 -3.15 0.86 0.28 -1.26 -3.72 120.64 110.94 1wln n GLU 9 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.79 1wln n GLU 9 Cb 0.74 -1.42 -0.03 0.00 1.43 0.00 0.00 31.44 32.17 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 -0.92 0.91 -4.02 3.44 2.85 -1.06 -4.99 118.16 114.37 1wln n LYS 10 Ca 0.20 -3.21 -0.34 0.00 -1.05 0.00 0.00 58.31 53.90 1wln n LYS 10 Cb 0.09 -1.54 -0.06 0.00 -0.65 0.00 0.00 35.03 32.86 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 -2.08 4.10 0.37 -5.58 1.43 -1.23 -3.04 118.68 112.64 1wln s LEU 11 Ca 0.37 0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 53.48 1wln s LEU 11 Cb 0.30 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 1wln s LEU 11 CO -0.09 0.30 1.06 -2.16 0.23 0.00 0.00 176.35 175.69 1wln s PRO 12 N -1.65 4.28 0.21 1.29 0.04 -1.25 -4.14 135.00 133.78 1wln s PRO 12 Ca 0.23 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1wln s PRO 12 Cb -0.12 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 1wln s PRO 12 CO 0.13 -0.06 0.18 1.52 0.04 0.00 0.00 177.00 178.82 1wln s TYR 13 N -1.53 1.09 -0.20 0.56 -0.85 0.13 0.64 117.35 117.18 1wln s TYR 13 Ca 0.54 -1.32 -0.02 0.00 -0.52 0.00 0.00 57.07 55.76 1wln s TYR 13 Cb -0.24 -0.47 0.01 0.00 0.38 0.00 0.00 41.96 41.63 1wln s TYR 13 CO 0.31 -0.70 -0.11 -0.51 -1.52 0.00 0.00 175.55 173.02 1wln s LEU 14 N -3.16 2.58 -0.49 -3.49 1.43 -0.86 0.88 118.68 115.58 1wln s LEU 14 Ca 0.37 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 1wln s LEU 14 Cb 0.06 -1.62 0.11 0.00 0.03 0.00 0.00 46.19 44.76 1wln s LEU 14 CO 0.13 -0.02 0.41 0.54 0.23 0.00 0.00 176.35 177.64 1wln s VAL 15 N 1.39 4.85 0.13 -1.59 0.11 0.69 -3.06 120.40 122.92 1wln s VAL 15 Ca 0.05 -1.45 -0.32 0.00 -2.93 0.00 0.00 61.98 57.33 1wln s VAL 15 Cb -0.14 -4.05 -0.18 0.00 -1.53 0.00 0.00 36.38 30.48 1wln s VAL 15 CO -0.08 -0.73 0.73 1.21 -3.33 0.00 0.00 175.10 172.90 1wln n GLU 16 N 5.11 0.03 -4.48 1.54 2.13 -1.08 -2.04 120.64 121.86 1wln n GLU 16 Ca -0.12 0.01 -0.26 0.00 0.66 0.00 0.00 57.16 57.46 1wln n GLU 16 Cb 0.41 -1.20 -0.10 0.00 0.27 0.00 0.00 31.44 30.83 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 1.90 2.83 1.27 4.31 1.43 0.51 -4.66 118.68 126.28 1wln s LEU 17 Ca 0.73 -1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 1wln s LEU 17 Cb -1.04 -1.10 0.32 0.00 0.03 0.00 0.00 46.19 44.40 1wln s LEU 17 CO 0.56 -0.26 0.99 -0.55 0.23 0.00 0.00 176.35 177.32 1wln s SER 18 N -3.66 0.11 0.00 2.29 0.15 -0.82 -4.30 113.70 107.47 1wln s SER 18 Ca 0.34 1.22 0.23 0.00 0.70 0.00 0.00 55.95 58.45 1wln s SER 18 Cb 0.03 -1.86 1.29 0.00 -1.71 0.00 0.00 66.02 63.77 1wln s SER 18 CO 0.18 -4.70 1.77 -0.81 1.20 0.00 0.00 173.24 170.88 1wln n PRO 19 N -5.22 0.54 -0.00 5.44 -0.04 -1.26 -2.20 135.00 132.25 1wln n PRO 19 Ca 0.06 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1wln n PRO 19 Cb 0.57 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.14 2.04 -0.06 3.54 2.03 -1.26 -5.00 116.55 116.70 1wln n ASP 20 Ca 0.14 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1wln n ASP 20 Cb 0.13 1.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.98 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 21 N 1.75 1.31 3.43 0.27 0.00 -0.93 -5.11 105.19 105.91 1wln n GLY 21 Ca -0.01 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.23 2.99 -0.44 1.61 1.04 -1.26 -4.87 113.70 110.54 1wln s SER 22 Ca 0.00 -1.13 -0.27 0.00 0.48 0.00 0.00 55.95 55.03 1wln s SER 22 Cb 0.00 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.94 1wln s SER 22 CO 0.00 -0.23 1.02 1.51 0.98 0.00 0.00 173.24 176.52 1wln s ASP 23 N -3.45 6.62 1.39 7.02 -4.77 -1.26 -1.94 116.67 120.28 1wln s ASP 23 Ca 0.28 0.42 -0.20 0.00 -3.30 0.00 0.00 52.55 49.75 1wln s ASP 23 Cb 0.01 -2.50 0.31 0.00 -1.09 0.00 0.00 42.92 39.65 1wln s ASP 23 CO 0.12 -1.08 0.72 -1.54 0.70 0.00 0.00 175.17 174.09 1wln n SER 24 N 7.33 -3.71 -1.38 2.11 3.41 -1.26 -4.90 113.62 115.22 1wln n SER 24 Ca 0.09 -0.74 0.09 0.00 -0.26 0.00 0.00 58.87 58.05 1wln n SER 24 Cb 0.48 -0.82 0.31 0.00 -0.26 0.00 0.00 64.21 63.93 1wln n SER 24 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1wln n ARG 25 N -5.10 3.19 -4.17 4.33 1.85 -1.26 -4.89 116.66 110.61 1wln n ARG 25 Ca 0.11 -2.47 -0.16 0.00 -1.00 0.00 0.00 57.85 54.33 1wln n ARG 25 Cb 0.49 -1.75 -0.11 0.00 -1.05 0.00 0.00 32.46 30.04 1wln n ARG 25 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wln s ASP 26 N -0.88 1.54 -0.23 2.89 1.01 -1.26 -5.09 116.67 114.65 1wln s ASP 26 Ca 0.45 -0.69 -0.29 0.00 0.71 0.00 0.00 52.55 52.73 1wln s ASP 26 Cb 0.27 -0.02 -0.04 0.00 1.01 0.00 0.00 42.92 44.14 1wln s ASP 26 CO 0.24 -0.16 1.87 -0.54 0.21 0.00 0.00 175.17 176.79 1wln s LYS 27 N -2.13 3.51 0.79 8.23 1.02 -1.26 -4.97 119.74 124.94 1wln s LYS 27 Ca 0.00 1.78 -0.11 0.00 0.02 0.00 0.00 55.97 57.66 1wln s LYS 27 Cb -0.07 -4.19 0.07 0.00 -0.52 0.00 0.00 37.83 33.11 1wln s LYS 27 CO 0.01 -1.65 1.10 -1.25 -0.92 0.00 0.00 175.35 172.64 1wln s PRO 28 N 5.41 2.11 0.65 -1.68 0.04 -1.26 -5.02 135.00 135.25 1wln s PRO 28 Ca 0.84 0.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 1wln s PRO 28 Cb -0.28 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1wln s PRO 28 CO 0.34 -1.60 1.15 0.21 0.04 0.00 0.00 177.00 177.13 1wln s LYS 29 N -5.15 2.74 0.06 4.56 2.36 -1.26 -4.85 119.74 118.20 1wln s LYS 29 Ca 0.61 1.58 0.05 0.00 -2.55 0.00 0.00 55.97 55.65 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 -1.33 -0.13 -1.17 1.55 0.00 0.00 175.35 174.81 1wln s LEU 30 N -4.66 2.26 -0.15 5.43 1.98 -1.26 -2.62 118.68 119.66 1wln s LEU 30 Ca 0.71 -0.59 -0.04 0.00 -2.89 0.00 0.00 54.13 51.32 1wln s LEU 30 Cb -0.24 -0.48 0.07 0.00 0.66 0.00 0.00 46.19 46.20 1wln s LEU 30 CO 0.39 -0.08 0.21 -0.31 -1.89 0.00 0.00 176.35 174.67 1wln s TYR 31 N -1.23 -0.28 -0.30 5.38 2.02 -1.17 -4.96 117.35 116.80 1wln s TYR 31 Ca -0.02 0.49 -0.27 0.00 -0.37 0.00 0.00 57.07 56.89 1wln s TYR 31 Cb -0.10 -0.27 0.01 0.00 -0.40 0.00 0.00 41.96 41.21 1wln s TYR 31 CO 0.02 -0.46 0.98 1.03 -1.57 0.00 0.00 175.55 175.55 1wln s ARG 32 N 2.34 4.06 -1.27 -0.62 0.52 -1.26 -2.03 118.95 120.69 1wln s ARG 32 Ca 0.05 0.95 -0.19 0.00 -0.52 0.00 0.00 55.73 56.01 1wln s ARG 32 Cb -0.14 -3.72 0.03 0.00 0.52 0.00 0.00 34.95 31.63 1wln s ARG 32 CO -0.10 -0.80 1.79 -0.51 0.02 0.00 0.00 175.30 175.71 1wln s LEU 33 N 3.37 3.62 0.71 2.53 1.43 0.21 -4.95 118.68 125.60 1wln s LEU 33 Ca 0.41 -2.23 -0.16 0.00 -1.03 0.00 0.00 54.13 51.12 1wln s LEU 33 Cb -0.13 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.53 1wln s LEU 33 CO 0.13 -1.71 1.25 -1.10 0.23 0.00 0.00 176.35 175.16 1wln s GLN 34 N 4.85 2.20 1.01 1.70 -0.21 -1.26 -4.54 119.66 123.41 1wln s GLN 34 Ca 0.58 1.93 -0.20 0.00 0.02 0.00 0.00 55.36 57.69 1wln s GLN 34 Cb 0.03 -1.82 -0.10 0.00 1.00 0.00 0.00 33.01 32.11 1wln s GLN 34 CO 0.09 -1.83 -0.75 1.28 -2.12 0.00 0.00 175.29 171.97 1wln n LEU 35 N -2.46 -3.71 0.00 2.90 4.77 -1.26 -4.61 117.00 112.62 1wln n LEU 35 Ca 0.15 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1wln n LEU 35 Cb 0.49 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1wln n LEU 35 CO 0.47 -4.20 0.00 -1.20 -1.33 0.00 0.00 177.39 171.14 1wln n SER 36 N 2.07 0.00 -4.61 -1.43 7.64 -1.26 -4.89 113.62 111.14 1wln n SER 36 Ca -0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 1wln n SER 36 Cb 0.63 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.73 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 3.64 -0.24 0.44 1.01 -1.26 -2.56 120.40 121.44 1wln s VAL 37 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1wln s VAL 37 Cb 0.00 -2.63 0.07 0.00 0.00 0.00 0.00 36.38 33.82 1wln s VAL 37 CO 0.00 0.29 0.05 -0.89 0.00 0.00 0.00 175.10 174.55 1wln s THR 38 N -1.09 0.74 0.12 3.92 2.01 0.41 -4.75 115.64 116.99 1wln s THR 38 Ca 0.19 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 1wln s THR 38 Cb -0.11 -1.32 -0.06 0.00 0.01 0.00 0.00 72.50 71.02 1wln s THR 38 CO 0.10 -0.35 1.01 -1.61 -0.69 0.00 0.00 174.62 173.08 1wln s GLU 39 N 1.74 4.65 0.30 4.92 8.01 -1.26 0.19 118.70 137.24 1wln s GLU 39 Ca 0.02 1.54 0.09 0.00 0.01 0.00 0.00 54.97 56.63 1wln s GLU 39 Cb -0.17 -3.35 -0.04 0.00 -4.31 0.00 0.00 34.13 26.25 1wln s GLU 39 CO -0.14 0.14 0.05 0.08 0.01 0.00 0.00 175.26 175.40 1wln s VAL 40 N 0.01 3.22 0.00 2.63 1.01 0.27 -2.06 120.40 125.47 1wln s VAL 40 Ca 0.48 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1wln s VAL 40 Cb -0.25 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1wln s VAL 40 CO 0.31 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1wln n GLY 41 N -0.99 0.26 0.31 4.51 0.00 -1.13 -0.92 105.19 107.23 1wln n GLY 41 Ca -0.05 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.49 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 1.09 -4.10 2.61 -2.24 -0.30 0.20 114.28 111.54 1wln n THR 42 Ca 0.00 -1.09 -0.24 0.00 -2.27 0.00 0.00 64.05 60.45 1wln n THR 42 Cb 0.00 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.16 2.28 -0.09 -0.78 0.41 -1.17 -4.91 118.70 113.28 1wln s GLU 43 Ca 0.13 -1.72 0.03 0.00 -0.41 0.00 0.00 54.97 53.00 1wln s GLU 43 Cb 0.08 -2.06 0.01 0.00 -1.78 0.00 0.00 34.13 30.37 1wln s GLU 43 CO 0.07 -0.03 -0.18 0.21 -0.49 0.00 0.00 175.26 174.84 1wln s LYS 44 N -3.88 2.45 0.10 1.61 2.20 -1.26 -4.72 119.74 116.23 1wln s LYS 44 Ca 0.40 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1wln s LYS 44 Cb 0.01 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 1wln s LYS 44 CO 0.23 0.08 0.00 1.19 -0.36 0.00 0.00 175.35 176.49 1wln n PHE 45 N 3.74 -0.71 -1.62 4.03 3.72 -1.26 -5.11 117.46 120.25 1wln n PHE 45 Ca -0.20 0.13 -0.29 0.00 -0.05 0.00 0.00 57.45 57.03 1wln n PHE 45 Cb 0.52 0.32 0.16 0.00 -0.94 0.00 0.00 39.48 39.54 1wln n PHE 45 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1wln s ASP 46 N -4.87 3.19 0.14 4.37 2.15 -1.26 -4.97 116.67 115.41 1wln s ASP 46 Ca 0.00 0.72 -0.11 0.00 0.43 0.00 0.00 52.55 53.58 1wln s ASP 46 Cb 0.00 -1.10 -0.06 0.00 -0.30 0.00 0.00 42.92 41.47 1wln s ASP 46 CO 0.00 -2.73 1.46 -0.78 -0.17 0.00 0.00 175.17 172.95 1wln h ASP 47 N -1.62 1.00 -2.13 -0.34 3.58 -1.99 -3.27 116.42 111.64 1wln h ASP 47 Ca -0.47 -0.48 -0.61 0.00 0.42 0.00 0.00 57.03 55.89 1wln h ASP 47 Cb 1.30 -0.28 -0.41 0.00 1.72 0.00 0.00 39.33 41.66 1wln h ASP 47 CO 0.53 1.28 -0.52 0.59 -2.88 0.00 0.00 179.24 178.24 1wln n ASN 48 N -4.05 4.78 -4.86 2.28 4.13 -1.26 -5.06 115.26 111.23 1wln n ASN 48 Ca -0.03 -3.70 -0.32 0.00 1.68 0.00 0.00 54.58 52.22 1wln n ASN 48 Cb 0.57 -0.59 -0.05 0.00 -1.54 0.00 0.00 39.78 38.17 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 -3.31 6.69 -0.07 6.41 1.04 -1.24 -4.82 113.70 118.40 1wln s SER 49 Ca 0.48 1.24 -0.25 0.00 0.48 0.00 0.00 55.95 57.91 1wln s SER 49 Cb 0.30 -2.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 1wln s SER 49 CO -0.15 -0.28 0.77 -0.63 0.98 0.00 0.00 173.24 173.92 1wln s ILE 50 N -2.13 4.99 -0.31 -1.02 1.01 -0.88 -5.00 121.20 117.87 1wln s ILE 50 Ca 0.53 1.57 0.04 0.00 0.00 0.00 0.00 60.65 62.79 1wln s ILE 50 Cb -0.10 -4.10 0.09 0.00 0.01 0.00 0.00 42.46 38.35 1wln s ILE 50 CO 0.22 0.20 -0.00 -1.58 0.00 0.00 0.00 174.94 173.78 1wln s GLN 51 N 1.04 1.72 0.33 2.79 0.74 -1.26 -2.84 119.66 122.18 1wln s GLN 51 Ca 0.40 -1.68 0.07 0.00 0.05 0.00 0.00 55.36 54.20 1wln s GLN 51 Cb -0.18 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 1wln s GLN 51 CO 0.19 -0.81 0.34 -0.51 -0.55 0.00 0.00 175.29 173.95 1wln s LEU 52 N 0.98 3.73 -0.11 3.68 1.43 0.53 -4.97 118.68 123.95 1wln s LEU 52 Ca 0.04 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1wln s LEU 52 Cb -0.19 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.69 1wln s LEU 52 CO -0.07 -0.36 0.16 -0.36 0.23 0.00 0.00 176.35 175.94 1wln s PHE 53 N -2.25 -0.15 0.11 0.29 0.08 -1.26 -3.89 117.98 110.90 1wln s PHE 53 Ca 0.42 0.46 -0.22 0.00 0.12 0.00 0.00 56.93 57.70 1wln s PHE 53 Cb -0.07 -0.32 0.06 0.00 -0.57 0.00 0.00 43.02 42.12 1wln s PHE 53 CO 0.28 -0.34 0.56 0.20 -0.10 0.00 0.00 175.22 175.82 1wln s GLY 54 N 2.28 -0.52 -0.99 4.36 0.00 -1.26 -5.02 107.32 106.17 1wln s GLY 54 Ca 0.04 0.50 -0.23 0.00 0.00 0.00 0.00 44.72 45.02 1wln s GLY 54 CO -0.07 0.19 1.70 2.56 0.00 0.00 0.00 173.10 177.48 1wln s PRO 55 N -3.25 3.10 0.00 2.90 0.04 -1.26 -1.98 135.00 134.55 1wln s PRO 55 Ca -0.01 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.24 1wln s PRO 55 Cb -0.00 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1wln s PRO 55 CO -0.08 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 174.56 1wln n GLY 56 N 6.76 0.75 3.79 0.56 0.00 -1.26 -5.05 105.19 110.73 1wln n GLY 56 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.57 3.51 0.52 -0.61 -1.09 -0.83 -4.89 121.20 117.23 1wln s ILE 57 Ca 0.00 0.82 0.05 0.00 -2.23 0.00 0.00 60.65 59.29 1wln s ILE 57 Cb 0.00 -3.31 0.01 0.00 -1.58 0.00 0.00 42.46 37.58 1wln s ILE 57 CO 0.00 -0.32 0.29 -1.10 -1.23 0.00 0.00 174.94 172.58 1wln s GLN 58 N -3.68 2.25 -0.05 2.79 -1.52 -1.26 -4.92 119.66 113.26 1wln s GLN 58 Ca 0.68 -2.06 -0.09 0.00 -1.95 0.00 0.00 55.36 51.94 1wln s GLN 58 Cb -0.19 -1.97 -0.05 0.00 -0.22 0.00 0.00 33.01 30.58 1wln s GLN 58 CO 0.31 -0.48 0.38 -1.00 -0.25 0.00 0.00 175.29 174.25 1wln h PRO 59 N 0.97 -0.30 -3.39 2.91 0.13 -1.90 -0.78 132.00 129.64 1wln h PRO 59 Ca -0.39 0.02 -0.80 0.00 -0.87 0.00 0.00 66.00 63.96 1wln h PRO 59 Cb 1.30 0.07 -0.27 0.00 0.13 0.00 0.00 31.00 32.23 1wln h PRO 59 CO 0.62 -0.20 0.74 1.58 -0.23 0.00 0.00 178.00 180.52 1wln n HIS 60 N -4.70 3.94 0.00 1.56 -0.00 -1.26 -2.83 115.22 111.92 1wln n HIS 60 Ca -0.04 -3.29 0.00 0.00 -0.00 0.00 0.00 57.72 54.40 1wln n HIS 60 Cb 0.12 -1.58 0.00 0.00 -0.00 0.00 0.00 29.99 28.53 1wln n HIS 60 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1wln n HIS 61 N 2.42 0.00 -4.07 1.57 -0.00 -0.10 -3.72 115.22 111.33 1wln n HIS 61 Ca 0.27 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.32 1wln n HIS 61 Cb 0.37 -0.40 -0.05 0.00 -0.12 0.00 0.00 29.99 29.79 1wln n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wln s ASP 63 N -3.17 2.26 -0.22 0.00 1.01 -1.04 0.94 116.67 116.46 1wln s ASP 63 Ca 0.29 -0.41 -0.25 0.00 0.71 0.00 0.00 52.55 52.89 1wln s ASP 63 Cb 0.00 -0.65 -0.01 0.00 1.01 0.00 0.00 42.92 43.27 1wln s ASP 63 CO 0.16 -0.20 0.83 -0.76 0.21 0.00 0.00 175.17 175.41 1wln s LEU 64 N 1.83 4.11 -0.20 1.23 2.01 0.49 -3.68 118.68 124.48 1wln s LEU 64 Ca 0.03 1.08 0.01 0.00 0.01 0.00 0.00 54.13 55.26 1wln s LEU 64 Cb -0.14 -3.20 0.03 0.00 0.01 0.00 0.00 46.19 42.89 1wln s LEU 64 CO -0.07 -0.48 -0.15 -0.89 1.01 0.00 0.00 176.35 175.78 1wln s THR 65 N 2.61 1.90 -0.54 5.49 2.01 -1.26 0.15 115.64 126.00 1wln s THR 65 Ca 0.36 -1.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.06 1wln s THR 65 Cb -0.16 -1.85 0.04 0.00 0.01 0.00 0.00 72.50 70.54 1wln s THR 65 CO 0.09 0.32 0.98 0.21 -0.69 0.00 0.00 174.62 175.53 1wln s ASN 66 N 1.31 6.38 -0.38 3.53 2.47 -1.06 -3.35 114.94 123.83 1wln s ASN 66 Ca 0.01 -0.22 0.03 0.00 0.42 0.00 0.00 52.86 53.10 1wln s ASN 66 Cb -0.15 -2.46 0.11 0.00 -1.45 0.00 0.00 41.25 37.30 1wln s ASN 66 CO -0.10 -1.24 0.11 -0.04 -3.72 0.00 0.00 177.10 172.11 1wln s MET 67 N 4.07 1.64 -0.39 0.43 -1.94 0.48 -4.40 119.30 119.19 1wln s MET 67 Ca 0.33 -2.00 -0.08 0.00 -1.71 0.00 0.00 55.69 52.23 1wln s MET 67 Cb -0.11 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.45 1wln s MET 67 CO 0.21 -0.99 0.46 -0.25 -0.01 0.00 0.00 175.02 174.45 1wln n ASP 68 N 4.10 -6.35 -2.26 3.03 8.00 -1.26 -3.00 116.55 118.81 1wln n ASP 68 Ca 0.03 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1wln n ASP 68 Cb 0.40 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 1wln n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wln n GLY 69 N -0.72 -0.44 3.02 0.44 0.00 -1.26 -4.83 105.19 101.40 1wln n GLY 69 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.77 0.44 0.05 1.61 1.01 -1.16 -4.96 120.40 115.62 1wln s VAL 70 Ca 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1wln s VAL 70 Cb 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1wln s VAL 70 CO 0.00 -0.28 -0.15 -0.69 0.00 0.00 0.00 175.10 173.99 1wln s VAL 71 N -1.08 1.15 -0.05 2.92 1.01 -1.26 0.18 120.40 123.27 1wln s VAL 71 Ca -0.08 -1.12 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 1wln s VAL 71 Cb -0.08 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1wln s VAL 71 CO 0.00 -0.06 0.03 0.42 0.00 0.00 0.00 175.10 175.49 1wln s THR 72 N -0.99 0.11 -0.30 3.92 -4.23 -1.21 -0.00 115.64 112.93 1wln s THR 72 Ca 0.01 0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 1wln s THR 72 Cb -0.09 -0.32 -0.00 0.00 1.34 0.00 0.00 72.50 73.43 1wln s THR 72 CO 0.02 0.22 1.37 0.54 -0.54 0.00 0.00 174.62 176.22 1wln s VAL 73 N 2.08 4.04 -0.36 2.29 0.11 0.14 -4.06 120.40 124.64 1wln s VAL 73 Ca 0.05 1.16 -0.02 0.00 -2.93 0.00 0.00 61.98 60.24 1wln s VAL 73 Cb -0.12 -4.09 0.08 0.00 -1.53 0.00 0.00 36.38 30.72 1wln s VAL 73 CO -0.04 -0.48 0.11 -0.89 -3.33 0.00 0.00 175.10 170.47 1wln s THR 74 N 4.65 3.15 -0.05 5.04 2.01 -1.24 -1.56 115.64 127.64 1wln s THR 74 Ca 0.59 -1.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.54 1wln s THR 74 Cb -0.18 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1wln s THR 74 CO 0.25 -0.43 1.22 -2.16 -0.69 0.00 0.00 174.62 172.81 1wln s PRO 75 N 1.19 4.35 -0.15 4.92 0.04 -1.26 -2.48 135.00 141.60 1wln s PRO 75 Ca 0.03 1.70 0.14 0.00 0.04 0.00 0.00 61.00 62.91 1wln s PRO 75 Cb -0.21 -3.56 0.39 0.00 0.04 0.00 0.00 34.50 31.16 1wln s PRO 75 CO -0.03 -0.46 1.19 0.54 0.04 0.00 0.00 177.00 178.29 1wln n ARG 76 N 5.20 1.20 -4.64 4.56 5.12 -1.06 -4.91 116.66 122.13 1wln n ARG 76 Ca 0.11 -2.89 -0.25 0.00 -1.93 0.00 0.00 57.85 52.89 1wln n ARG 76 Cb 0.46 -1.27 -0.16 0.00 -1.16 0.00 0.00 32.46 30.33 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 -2.89 1.86 -1.43 0.55 0.01 -1.23 -4.91 113.70 105.66 1wln s SER 77 Ca 0.35 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 57.23 1wln s SER 77 Cb 0.35 -0.79 0.05 0.00 0.21 0.00 0.00 66.02 65.84 1wln s SER 77 CO -0.07 0.06 2.57 0.23 0.41 0.00 0.00 173.24 176.44 1wln n MET 78 N 3.66 4.27 0.00 12.44 2.81 -1.26 -3.44 117.12 135.61 1wln n MET 78 Ca -0.22 -3.03 0.00 0.00 -1.81 0.00 0.00 57.70 52.64 1wln n MET 78 Cb 0.52 -2.70 0.00 0.00 -0.71 0.00 0.00 33.22 30.33 1wln n MET 78 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1wln n ASP 79 N 2.41 0.00 -4.59 7.83 -0.08 -1.26 -5.10 116.55 115.77 1wln n ASP 79 Ca 0.68 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 53.54 1wln n ASP 79 Cb 0.24 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.67 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 2.54 -0.21 -1.67 0.00 -1.22 -4.92 121.76 116.27 1wln s ALA 80 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.09 1wln s ALA 80 Cb 0.00 -4.12 -0.01 0.00 0.00 0.00 0.00 23.12 18.99 1wln s ALA 80 CO 0.00 -3.12 0.86 -1.21 0.00 0.00 0.00 175.76 172.29 1wln s GLU 81 N 6.53 4.23 -0.16 0.00 8.01 -1.26 -4.86 118.70 131.20 1wln s GLU 81 Ca 0.91 1.02 -0.00 0.00 0.01 0.00 0.00 54.97 56.92 1wln s GLU 81 Cb -0.26 -3.62 0.04 0.00 -4.31 0.00 0.00 34.13 25.99 1wln s GLU 81 CO 0.32 -0.46 -0.06 0.99 0.01 0.00 0.00 175.26 176.05 1wln s THR 82 N 2.63 1.19 -0.21 3.63 2.01 -1.25 -2.46 115.64 121.18 1wln s THR 82 Ca 0.37 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 1wln s THR 82 Cb -0.16 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.04 1wln s THR 82 CO 0.09 0.17 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.76 1wln s TYR 83 N 1.61 2.90 -0.89 4.92 1.51 -1.05 -2.25 117.35 124.10 1wln s TYR 83 Ca 0.01 -1.41 -0.19 0.00 -1.01 0.00 0.00 57.07 54.47 1wln s TYR 83 Cb -0.15 -2.01 0.13 0.00 -0.11 0.00 0.00 41.96 39.82 1wln s TYR 83 CO -0.08 -0.71 1.07 0.08 -1.11 0.00 0.00 175.55 174.80 1wln s VAL 84 N 1.35 4.75 -0.08 0.71 1.01 0.18 -1.58 120.40 126.74 1wln s VAL 84 Ca 0.04 -1.50 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 1wln s VAL 84 Cb -0.14 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.50 1wln s VAL 84 CO -0.08 -1.46 0.00 -0.67 0.00 0.00 0.00 175.10 172.89 1wln n ASP 85 N 6.49 -1.25 0.00 3.32 -0.08 -0.86 -3.35 116.55 120.81 1wln n ASP 85 Ca 0.19 -0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1wln n ASP 85 Cb 0.48 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 43.23 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 -0.99 0.67 2.88 0.27 0.00 -1.25 -4.97 105.19 101.79 1wln n GLY 86 Ca -0.01 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.79 1.34 0.12 1.61 -0.21 -1.21 -5.03 119.66 114.49 1wln s GLN 87 Ca 0.00 -0.75 -0.31 0.00 0.02 0.00 0.00 55.36 54.32 1wln s GLN 87 Cb 0.00 -2.36 -0.07 0.00 1.00 0.00 0.00 33.01 31.58 1wln s GLN 87 CO 0.00 -0.58 1.27 0.50 -2.12 0.00 0.00 175.29 174.37 1wln s ARG 88 N 1.56 4.40 0.12 2.91 3.52 -1.26 0.51 118.95 130.71 1wln s ARG 88 Ca -0.03 1.92 0.02 0.00 -0.13 0.00 0.00 55.73 57.51 1wln s ARG 88 Cb -0.18 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1wln s ARG 88 CO -0.07 -0.29 0.21 0.96 -0.81 0.00 0.00 175.30 175.31 1wln s ILE 89 N 0.76 5.12 -0.08 4.11 -4.36 -0.95 -4.94 121.20 120.85 1wln s ILE 89 Ca 0.59 -0.67 0.05 0.00 -0.26 0.00 0.00 60.65 60.37 1wln s ILE 89 Cb -0.33 -3.57 -0.08 0.00 1.25 0.00 0.00 42.46 39.73 1wln s ILE 89 CO 0.32 -0.00 0.15 -0.24 0.24 0.00 0.00 174.94 175.41 1wln n SER 90 N -0.15 2.75 -2.67 4.36 2.88 -1.26 -4.84 113.62 114.69 1wln n SER 90 Ca -0.07 -0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.16 1wln n SER 90 Cb 0.53 1.18 -0.05 0.00 -0.75 0.00 0.00 64.21 65.12 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 -1.53 0.40 -1.51 -1.46 -0.58 -1.26 -4.89 120.64 109.80 1wln n GLU 91 Ca -0.00 -2.44 -0.44 0.00 -0.42 0.00 0.00 57.16 53.86 1wln n GLU 91 Cb 0.12 2.11 -0.06 0.00 -0.57 0.00 0.00 31.44 33.05 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 -0.48 0.11 -4.56 2.62 -1.04 -1.26 -4.65 114.28 105.03 1wln n THR 92 Ca 0.04 -0.43 -0.34 0.00 -2.04 0.00 0.00 64.05 61.28 1wln n THR 92 Cb 0.46 -2.04 -0.12 0.00 -1.82 0.00 0.00 70.33 66.82 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 9.19 3.70 0.61 12.58 2.01 -0.60 -4.92 115.64 138.21 1wln s THR 93 Ca 1.08 -0.45 -0.18 0.00 0.31 0.00 0.00 61.69 62.44 1wln s THR 93 Cb -0.60 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1wln s THR 93 CO 0.39 0.55 1.19 -0.32 -0.69 0.00 0.00 174.62 175.75 1wln s MET 94 N -0.22 2.87 -0.01 4.92 1.75 -1.26 0.24 119.30 127.60 1wln s MET 94 Ca 0.03 1.77 0.07 0.00 -1.25 0.00 0.00 55.69 56.31 1wln s MET 94 Cb -0.13 -1.92 -0.02 0.00 2.84 0.00 0.00 34.83 35.59 1wln s MET 94 CO 0.03 -1.27 -0.22 -0.51 -0.65 0.00 0.00 175.02 172.39 1wln s LEU 95 N -4.26 2.29 0.03 4.11 1.43 1.00 -4.76 118.68 118.52 1wln s LEU 95 Ca 0.76 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1wln s LEU 95 Cb -0.29 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1wln s LEU 95 CO 0.35 0.31 -0.19 -1.10 0.23 0.00 0.00 176.35 175.95 1wln s GLN 96 N -0.81 1.31 0.13 1.70 -0.21 -1.26 -4.44 119.66 116.07 1wln s GLN 96 Ca 0.11 -0.86 -0.35 0.00 0.02 0.00 0.00 55.36 54.28 1wln s GLN 96 Cb -0.10 -1.37 -0.15 0.00 1.00 0.00 0.00 33.01 32.38 1wln s GLN 96 CO 0.00 0.35 1.47 -1.13 -2.12 0.00 0.00 175.29 173.86 1wln n SER 97 N 1.98 2.45 0.00 5.90 3.41 -1.25 -0.77 113.62 125.34 1wln n SER 97 Ca -0.17 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 1wln n SER 97 Cb 0.54 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 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 2.99 2.76 3.66 5.00 0.00 0.50 -4.93 105.19 115.16 1wln n GLY 98 Ca 0.17 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 1.66 -2.75 1.61 2.00 0.05 -4.62 117.12 115.07 1wln n MET 99 Ca 0.00 0.59 -0.25 0.00 0.00 0.00 0.00 57.70 58.04 1wln n MET 99 Cb 0.00 -2.21 0.02 0.00 0.00 0.00 0.00 33.22 31.03 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 -2.08 3.08 -0.23 0.03 0.52 -1.26 -0.09 118.95 118.92 1wln s ARG 100 Ca 0.62 -0.24 -0.03 0.00 -0.52 0.00 0.00 55.73 55.56 1wln s ARG 100 Cb -0.54 -2.44 0.10 0.00 0.52 0.00 0.00 34.95 32.59 1wln s ARG 100 CO 0.58 -0.41 0.21 -0.51 0.02 0.00 0.00 175.30 175.19 1wln s LEU 101 N -4.73 0.01 -0.27 2.53 1.02 0.48 -2.03 118.68 115.69 1wln s LEU 101 Ca 0.50 -0.52 -0.15 0.00 0.02 0.00 0.00 54.13 53.98 1wln s LEU 101 Cb -0.10 0.23 -0.04 0.00 0.02 0.00 0.00 46.19 46.31 1wln s LEU 101 CO 0.41 -0.36 0.37 -1.58 0.02 0.00 0.00 176.35 175.22 1wln s GLN 102 N 2.28 4.00 -0.55 1.70 0.74 -0.62 0.76 119.66 127.98 1wln s GLN 102 Ca 0.07 0.02 -0.02 0.00 0.05 0.00 0.00 55.36 55.49 1wln s GLN 102 Cb -0.15 -3.66 0.14 0.00 1.10 0.00 0.00 33.01 30.44 1wln s GLN 102 CO -0.19 -0.29 0.35 -0.06 -0.55 0.00 0.00 175.29 174.55 1wln s PHE 103 N 2.07 3.44 -0.09 1.67 0.08 0.10 -2.53 117.98 122.73 1wln s PHE 103 Ca 0.15 -2.69 -0.00 0.00 0.12 0.00 0.00 56.93 54.50 1wln s PHE 103 Cb -0.16 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 1wln s PHE 103 CO 0.10 -0.87 0.04 0.41 -0.10 0.00 0.00 175.22 174.81 1wln n GLY 104 N 3.76 0.66 4.10 4.36 0.00 -1.03 -2.78 105.19 114.27 1wln n GLY 104 Ca 0.05 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.16 -0.20 0.00 2.61 -2.24 -1.26 -4.53 114.28 105.50 1wln n THR 105 Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1wln n THR 105 Cb 0.51 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.09 0.00 -4.21 3.42 2.88 -1.24 -5.03 113.62 107.35 1wln n SER 106 Ca 0.01 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.14 1wln n SER 106 Cb 0.44 0.07 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.62 3.44 -0.24 0.66 4.02 -1.12 -4.86 115.29 115.57 1wln s HIS 107 Ca 0.00 -1.93 -0.09 0.00 1.02 0.00 0.00 55.06 54.06 1wln s HIS 107 Cb 0.00 -3.50 -0.04 0.00 -1.02 0.00 0.00 32.58 28.02 1wln s HIS 107 CO 0.00 -0.99 0.12 0.08 1.02 0.00 0.00 174.74 174.98 1wln s VAL 108 N 1.22 4.95 0.44 -0.90 1.01 -1.26 0.03 120.40 125.89 1wln s VAL 108 Ca 0.07 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1wln s VAL 108 Cb -0.25 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1wln s VAL 108 CO -0.01 0.34 0.01 -0.36 0.00 0.00 0.00 175.10 175.09 1wln s PHE 109 N 1.23 2.26 -0.13 5.22 0.40 0.23 0.19 117.98 127.38 1wln s PHE 109 Ca 0.06 -0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 55.59 1wln s PHE 109 Cb -0.14 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.74 1wln s PHE 109 CO 0.05 0.33 -0.05 0.21 0.70 0.00 0.00 175.22 176.46 1wln s LYS 110 N -3.77 1.26 0.15 0.44 2.36 -0.87 0.18 119.74 119.49 1wln s LYS 110 Ca 0.26 -0.27 -0.30 0.00 -2.55 0.00 0.00 55.97 53.10 1wln s LYS 110 Cb 0.07 -1.63 -0.07 0.00 -1.05 0.00 0.00 37.83 35.16 1wln s LYS 110 CO 0.13 -0.35 0.99 0.12 1.55 0.00 0.00 175.35 177.79 1wln s PHE 111 N 1.75 3.79 0.11 4.03 2.19 0.87 -0.22 117.98 130.49 1wln s PHE 111 Ca 0.03 1.77 0.05 0.00 0.33 0.00 0.00 56.93 59.11 1wln s PHE 111 Cb -0.14 -3.10 -0.04 0.00 -1.31 0.00 0.00 43.02 38.44 1wln s PHE 111 CO -0.07 0.05 -0.12 0.54 1.83 0.00 0.00 175.22 177.45 1wln s VAL 112 N -0.25 1.13 -0.28 3.12 0.11 0.26 0.19 120.40 124.67 1wln s VAL 112 Ca 0.47 -1.68 -0.03 0.00 -2.93 0.00 0.00 61.98 57.80 1wln s VAL 112 Cb -0.25 -1.45 0.09 0.00 -1.53 0.00 0.00 36.38 33.24 1wln s VAL 112 CO 0.31 -0.50 0.11 -0.62 -3.33 0.00 0.00 175.10 171.08 1wln s ASP 113 N -2.47 3.54 0.00 3.54 -1.08 -1.26 -0.70 116.67 118.25 1wln s ASP 113 Ca 0.07 -1.30 0.24 0.00 -0.52 0.00 0.00 52.55 51.04 1wln s ASP 113 Cb -0.04 -0.51 1.38 0.00 -1.46 0.00 0.00 42.92 42.29 1wln s ASP 113 CO 0.01 -0.41 1.79 -0.81 0.52 0.00 0.00 175.17 176.27 1wln n PRO 114 N 5.12 0.68 -0.11 4.34 -0.04 -1.26 -3.23 135.00 140.49 1wln n PRO 114 Ca -0.05 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 1wln n PRO 114 Cb 0.43 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.52 -1.11 3.54 0.87 -1.85 -3.45 113.55 112.07 1wln h SER 115 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1wln h SER 115 Cb 0.04 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1wln h SER 115 CO 0.00 0.64 0.00 0.61 -0.53 0.00 0.00 176.83 177.55 1wln n GLY 116 N -0.50 3.36 3.56 5.77 0.00 -1.20 -4.97 105.19 111.21 1wln n GLY 116 Ca -0.02 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 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 -4.78 3.03 0.30 1.61 0.04 -1.26 -4.95 135.00 128.99 1wln s PRO 117 Ca 0.00 -0.42 -0.27 0.00 0.04 0.00 0.00 61.00 60.35 1wln s PRO 117 Cb 0.00 -4.90 -0.14 0.00 0.04 0.00 0.00 34.50 29.49 1wln s PRO 117 CO 0.00 -2.66 0.79 -1.13 0.04 0.00 0.00 177.00 174.04 1wln n SER 118 N 11.25 0.20 -2.72 6.66 3.41 -1.26 -3.99 113.62 127.18 1wln n SER 118 Ca 0.28 1.10 -0.04 0.00 -0.26 0.00 0.00 58.87 59.96 1wln n SER 118 Cb 0.50 -1.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 1wln n SER 118 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wln n SER 119 N 1.40 -2.67 0.00 4.04 2.88 -1.26 -5.31 113.62 112.70 1wln n SER 119 Ca 0.12 1.26 0.12 0.00 -1.33 0.00 0.00 58.87 59.04 1wln n SER 119 Cb 0.32 -4.17 0.70 0.00 -0.75 0.00 0.00 64.21 60.31 1wln n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42