#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 2.44 0.31 1.61 1.04 -1.26 -5.14 113.70 112.69 1wln s SER 2 Ca 0.00 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 1wln s SER 2 Cb 0.00 -0.21 -0.05 0.00 0.10 0.00 0.00 66.02 65.86 1wln s SER 2 CO 0.00 0.16 0.58 -0.55 0.98 0.00 0.00 173.24 174.41 1wln s SER 3 N -1.13 6.44 0.00 7.02 0.15 -1.26 -5.08 113.70 119.84 1wln s SER 3 Ca 0.07 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1wln s SER 3 Cb -0.09 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1wln s SER 3 CO 0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wln n GLY 4 N -1.04 0.84 3.12 9.45 0.00 -1.26 -5.15 105.19 111.14 1wln n GLY 4 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1wln n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wln s SER 5 N 0.00 0.49 -0.35 1.61 1.04 -1.26 -5.13 113.70 110.10 1wln s SER 5 Ca 0.00 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.38 1wln s SER 5 Cb 0.00 0.22 0.10 0.00 0.10 0.00 0.00 66.02 66.44 1wln s SER 5 CO 0.00 -0.63 0.08 -0.94 0.98 0.00 0.00 173.24 172.72 1wln s SER 6 N -2.98 4.88 -0.36 7.02 1.04 -1.26 -5.01 113.70 117.03 1wln s SER 6 Ca 0.13 -2.04 0.06 0.00 0.48 0.00 0.00 55.95 54.58 1wln s SER 6 Cb 0.08 -1.68 0.18 0.00 0.10 0.00 0.00 66.02 64.69 1wln s SER 6 CO -0.05 -0.40 0.53 -0.83 0.98 0.00 0.00 173.24 173.46 1wln s GLY 7 N 1.17 -0.89 -0.00 7.32 0.00 -1.26 -5.02 107.32 108.64 1wln s GLY 7 Ca 0.08 0.13 -0.21 0.00 0.00 0.00 0.00 44.72 44.72 1wln s GLY 7 CO -0.07 3.37 1.12 -0.56 0.00 0.00 0.00 173.10 176.97 1wln h PRO 8 N 7.40 0.36 0.00 2.90 0.13 -2.00 -3.05 132.00 137.74 1wln h PRO 8 Ca 0.02 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1wln h PRO 8 Cb 1.15 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wln h PRO 8 CO 0.16 1.01 0.00 -0.85 -0.23 0.00 0.00 178.00 178.09 1wln n GLU 9 N -4.33 0.27 -1.49 0.86 0.28 -1.26 -2.49 120.64 112.48 1wln n GLU 9 Ca -0.09 0.12 -0.30 0.00 -0.16 0.00 0.00 57.16 56.72 1wln n GLU 9 Cb 0.59 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 32.03 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 -1.26 2.89 -4.40 3.44 5.02 -1.15 -4.61 118.16 118.08 1wln n LYS 10 Ca 0.08 -3.51 -0.33 0.00 -2.02 0.00 0.00 58.31 52.53 1wln n LYS 10 Cb 0.13 -2.26 -0.10 0.00 -0.02 0.00 0.00 35.03 32.78 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 -3.72 3.42 0.16 -0.35 1.43 -1.04 -4.19 118.68 114.39 1wln s LEU 11 Ca 0.60 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.42 1wln s LEU 11 Cb 0.48 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.76 1wln s LEU 11 CO 0.01 0.33 1.12 -2.16 0.23 0.00 0.00 176.35 175.88 1wln s PRO 12 N -1.19 4.56 0.29 1.29 0.04 -1.26 -4.17 135.00 134.55 1wln s PRO 12 Ca 0.16 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1wln s PRO 12 Cb -0.11 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 1wln s PRO 12 CO 0.06 0.01 0.03 1.52 0.04 0.00 0.00 177.00 178.66 1wln s TYR 13 N -0.06 1.83 -0.27 0.56 -0.85 -0.84 0.19 117.35 117.91 1wln s TYR 13 Ca 0.51 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 1wln s TYR 13 Cb -0.30 -1.14 0.05 0.00 0.38 0.00 0.00 41.96 40.95 1wln s TYR 13 CO 0.35 -0.00 -0.06 -0.51 -1.52 0.00 0.00 175.55 173.80 1wln s LEU 14 N -3.42 3.55 -0.55 -3.49 1.43 0.12 -0.79 118.68 115.52 1wln s LEU 14 Ca 0.34 -1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 51.99 1wln s LEU 14 Cb 0.07 -1.63 0.07 0.00 0.03 0.00 0.00 46.19 44.73 1wln s LEU 14 CO 0.13 -0.20 0.74 0.54 0.23 0.00 0.00 176.35 177.79 1wln s VAL 15 N 1.20 4.71 0.09 -1.59 0.11 0.16 -1.53 120.40 123.56 1wln s VAL 15 Ca -0.06 -0.45 -0.36 0.00 -2.93 0.00 0.00 61.98 58.19 1wln s VAL 15 Cb -0.19 -4.43 -0.17 0.00 -1.53 0.00 0.00 36.38 30.06 1wln s VAL 15 CO -0.04 -1.01 1.19 1.21 -3.33 0.00 0.00 175.10 173.13 1wln n GLU 16 N 6.62 0.84 -4.39 1.54 2.13 0.11 -1.51 120.64 125.98 1wln n GLU 16 Ca -0.05 0.30 -0.24 0.00 0.66 0.00 0.00 57.16 57.83 1wln n GLU 16 Cb 0.45 -1.84 -0.09 0.00 0.27 0.00 0.00 31.44 30.23 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 0.54 2.88 1.02 4.31 1.43 0.76 -4.42 118.68 125.20 1wln s LEU 17 Ca 0.82 -0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 1wln s LEU 17 Cb -1.00 -1.33 0.13 0.00 0.03 0.00 0.00 46.19 44.02 1wln s LEU 17 CO 0.51 -0.08 0.12 -1.20 0.23 0.00 0.00 176.35 175.93 1wln n SER 18 N -0.81 -2.85 0.00 2.29 7.64 0.65 -4.27 113.62 116.27 1wln n SER 18 Ca -0.05 -0.30 0.11 0.00 1.01 0.00 0.00 58.87 59.64 1wln n SER 18 Cb 0.61 -0.78 0.60 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.44 0.41 -0.00 1.43 -0.04 -1.26 -2.28 135.00 131.82 1wln n PRO 19 Ca 0.04 0.06 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 1wln n PRO 19 Cb 0.43 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.23 1.93 -0.03 3.54 -0.08 -1.26 -4.99 116.55 114.43 1wln n ASP 20 Ca 0.12 -0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1wln n ASP 20 Cb 0.16 1.21 0.00 0.00 2.34 0.00 0.00 41.12 44.84 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 1.67 1.06 3.45 0.27 0.00 -0.96 -5.12 105.19 105.56 1wln n GLY 21 Ca -0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.07 3.02 -0.61 1.61 0.15 -1.26 -4.82 113.70 109.73 1wln s SER 22 Ca 0.00 -1.17 -0.26 0.00 0.70 0.00 0.00 55.95 55.22 1wln s SER 22 Cb 0.00 -0.21 0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1wln s SER 22 CO 0.00 -0.27 1.09 1.51 1.20 0.00 0.00 173.24 176.77 1wln s ASP 23 N -3.47 6.33 1.15 5.45 -4.77 -1.26 -0.25 116.67 119.84 1wln s ASP 23 Ca 0.30 -0.27 -0.18 0.00 -3.30 0.00 0.00 52.55 49.10 1wln s ASP 23 Cb 0.02 -2.50 0.18 0.00 -1.09 0.00 0.00 42.92 39.53 1wln s ASP 23 CO 0.13 -1.45 0.29 -1.54 0.70 0.00 0.00 175.17 173.30 1wln n SER 24 N 8.17 -2.69 -2.42 2.11 3.41 -1.26 -4.81 113.62 116.13 1wln n SER 24 Ca 0.04 -0.29 -0.25 0.00 -0.26 0.00 0.00 58.87 58.10 1wln n SER 24 Cb 0.48 -0.94 -0.06 0.00 -0.26 0.00 0.00 64.21 63.42 1wln n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wln n ARG 25 N -2.77 2.34 -3.61 4.33 5.12 -1.26 -4.84 116.66 115.97 1wln n ARG 25 Ca 0.03 -2.19 -0.01 0.00 -1.93 0.00 0.00 57.85 53.75 1wln n ARG 25 Cb 0.55 -2.11 -0.01 0.00 -1.16 0.00 0.00 32.46 29.73 1wln n ARG 25 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1wln s ASP 26 N 0.49 -0.09 -0.25 0.55 -1.08 -1.26 -5.11 116.67 109.93 1wln s ASP 26 Ca 0.59 -0.07 -0.29 0.00 -0.52 0.00 0.00 52.55 52.26 1wln s ASP 26 Cb 0.37 0.14 -0.03 0.00 -1.46 0.00 0.00 42.92 41.94 1wln s ASP 26 CO -0.20 -0.25 1.88 -0.54 0.52 0.00 0.00 175.17 176.59 1wln s LYS 27 N -2.39 3.45 0.64 4.34 1.02 -1.26 -4.96 119.74 120.58 1wln s LYS 27 Ca 0.12 1.73 -0.13 0.00 0.02 0.00 0.00 55.97 57.71 1wln s LYS 27 Cb 0.02 -4.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.11 1wln s LYS 27 CO -0.04 -1.72 1.05 -1.25 -0.92 0.00 0.00 175.35 172.47 1wln s PRO 28 N 5.52 3.16 0.62 -1.68 0.04 -1.26 -5.01 135.00 136.38 1wln s PRO 28 Ca 0.84 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 1wln s PRO 28 Cb -0.27 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1wln s PRO 28 CO 0.34 -0.93 1.16 0.15 0.04 0.00 0.00 177.00 177.76 1wln s LYS 29 N -4.60 2.90 0.24 4.56 -0.14 -1.26 -4.77 119.74 116.67 1wln s LYS 29 Ca 0.60 1.63 0.08 0.00 -1.36 0.00 0.00 55.97 56.92 1wln s LYS 29 Cb -0.15 -1.94 -0.05 0.00 -1.68 0.00 0.00 37.83 34.01 1wln s LYS 29 CO 0.46 -1.21 -0.12 -1.17 -0.76 0.00 0.00 175.35 172.54 1wln s LEU 30 N -4.39 2.54 -0.32 3.17 2.96 -1.26 0.04 118.68 121.42 1wln s LEU 30 Ca 0.73 -1.07 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1wln s LEU 30 Cb -0.26 -0.71 0.18 0.00 0.50 0.00 0.00 46.19 45.90 1wln s LEU 30 CO 0.36 -0.20 0.50 -0.31 -1.32 0.00 0.00 176.35 175.38 1wln s TYR 31 N -2.93 -1.35 0.21 5.38 2.02 -0.58 -4.89 117.35 115.22 1wln s TYR 31 Ca 0.26 0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 57.10 1wln s TYR 31 Cb 0.00 0.06 -0.08 0.00 -0.40 0.00 0.00 41.96 41.53 1wln s TYR 31 CO 0.09 -1.05 1.21 1.03 -1.57 0.00 0.00 175.55 175.26 1wln s ARG 32 N 2.40 4.49 -1.15 -0.62 0.52 -1.26 0.10 118.95 123.43 1wln s ARG 32 Ca 0.12 1.91 -0.10 0.00 -0.52 0.00 0.00 55.73 57.14 1wln s ARG 32 Cb -0.10 -3.22 0.25 0.00 0.52 0.00 0.00 34.95 32.40 1wln s ARG 32 CO -0.22 -0.07 1.21 1.28 0.02 0.00 0.00 175.30 177.52 1wln n LEU 33 N 2.22 5.45 -4.33 2.53 4.77 0.52 -4.92 117.00 123.24 1wln n LEU 33 Ca 0.03 -4.88 -0.36 0.00 -0.03 0.00 0.00 56.01 50.77 1wln n LEU 33 Cb 0.44 -1.52 0.06 0.00 -2.33 0.00 0.00 43.42 40.07 1wln n LEU 33 CO 0.56 1.18 -0.37 0.00 -1.33 0.00 0.00 177.39 177.44 1wln n GLN 34 N 3.48 0.13 -0.73 3.23 6.02 -1.26 -4.50 117.38 123.75 1wln n GLN 34 Ca 0.28 0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 57.00 1wln n GLN 34 Cb 0.40 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.31 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 0.93 -2.26 0.00 1.08 4.77 -1.26 -4.65 117.00 115.60 1wln n LEU 35 Ca 0.07 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1wln n LEU 35 Cb 0.51 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1wln n LEU 35 CO 0.52 -3.15 0.00 -1.20 -1.33 0.00 0.00 177.39 172.23 1wln n SER 36 N -0.86 0.00 -4.72 -1.43 7.64 -1.26 -4.83 113.62 108.16 1wln n SER 36 Ca 0.01 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.54 1wln n SER 36 Cb 0.63 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.75 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 4.91 -0.38 0.44 1.01 -1.26 -2.98 120.40 122.13 1wln s VAL 37 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1wln s VAL 37 Cb 0.00 -3.16 0.12 0.00 0.00 0.00 0.00 36.38 33.34 1wln s VAL 37 CO 0.00 0.54 0.17 -0.89 0.00 0.00 0.00 175.10 174.92 1wln s THR 38 N -0.37 1.35 -0.10 3.92 2.01 -0.71 -4.63 115.64 117.11 1wln s THR 38 Ca 0.09 -2.15 -0.19 0.00 0.31 0.00 0.00 61.69 59.76 1wln s THR 38 Cb -0.12 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 1wln s THR 38 CO 0.02 -0.78 0.52 -1.83 -0.69 0.00 0.00 174.62 171.86 1wln s GLU 39 N 0.84 4.35 0.38 4.92 1.03 -1.26 0.11 118.70 129.07 1wln s GLU 39 Ca 0.14 0.55 0.07 0.00 0.03 0.00 0.00 54.97 55.76 1wln s GLU 39 Cb -0.21 -3.43 -0.00 0.00 -0.80 0.00 0.00 34.13 29.68 1wln s GLU 39 CO -0.10 0.16 0.51 0.08 -1.33 0.00 0.00 175.26 174.58 1wln s VAL 40 N 0.60 3.52 -3.49 1.83 1.01 -0.34 -2.37 120.40 121.15 1wln s VAL 40 Ca 0.28 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1wln s VAL 40 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1wln s VAL 40 CO 0.12 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1wln n GLY 41 N -1.72 0.68 1.19 4.51 0.00 -1.18 -1.26 105.19 107.42 1wln n GLY 41 Ca 0.04 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 6.28 2.28 -4.38 2.61 -2.24 0.81 0.14 114.28 119.78 1wln n THR 42 Ca 0.00 -1.64 -0.24 0.00 -2.27 0.00 0.00 64.05 59.90 1wln n THR 42 Cb 0.00 -0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.60 2.01 -0.29 -0.78 0.41 -1.21 -4.85 118.70 111.39 1wln s GLU 43 Ca 0.45 -1.63 0.01 0.00 -0.41 0.00 0.00 54.97 53.40 1wln s GLU 43 Cb 0.34 -1.96 0.08 0.00 -1.78 0.00 0.00 34.13 30.82 1wln s GLU 43 CO 0.12 0.30 0.02 0.21 -0.49 0.00 0.00 175.26 175.43 1wln s LYS 44 N -3.62 1.34 -0.08 1.61 2.36 -1.26 -4.72 119.74 115.38 1wln s LYS 44 Ca 0.32 -1.29 -0.16 0.00 -2.55 0.00 0.00 55.97 52.28 1wln s LYS 44 Cb -0.04 -2.62 -0.29 0.00 -1.05 0.00 0.00 37.83 33.82 1wln s LYS 44 CO 0.18 -0.81 0.67 0.74 1.55 0.00 0.00 175.35 177.68 1wln h PHE 45 N 7.88 0.54 -1.25 4.03 -1.00 -1.95 -3.48 116.94 121.70 1wln h PHE 45 Ca -0.12 -0.40 0.17 0.00 2.81 0.00 0.00 57.97 60.43 1wln h PHE 45 Cb 1.04 -0.02 -0.31 0.00 3.61 0.00 0.00 35.95 40.27 1wln h PHE 45 CO 0.45 1.53 0.62 -0.51 -1.61 0.00 0.00 178.31 178.79 1wln s ASP 46 N -7.10 -0.24 -0.66 2.17 1.01 -1.26 -5.09 116.67 105.50 1wln s ASP 46 Ca -0.17 0.39 -0.40 0.00 0.71 0.00 0.00 52.55 53.08 1wln s ASP 46 Cb 0.04 1.01 -0.20 0.00 1.01 0.00 0.00 42.92 44.78 1wln s ASP 46 CO 0.80 -0.06 2.33 0.47 0.21 0.00 0.00 175.17 178.92 1wln n ASP 47 N 3.15 0.62 0.00 0.27 9.92 -1.26 -2.41 116.55 126.83 1wln n ASP 47 Ca -0.17 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1wln n ASP 47 Cb 0.57 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 1wln n ASP 47 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1wln n ASN 48 N 8.54 0.00 -3.92 -2.24 4.13 -1.26 -5.15 115.26 115.36 1wln n ASN 48 Ca 0.58 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.64 1wln n ASN 48 Cb -0.01 0.00 0.12 0.00 -1.54 0.00 0.00 39.78 38.34 1wln n ASN 48 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1wln n SER 49 N 0.00 0.81 -4.69 6.41 3.41 -1.01 -4.39 113.62 114.16 1wln n SER 49 Ca 0.00 -1.78 -0.31 0.00 -0.26 0.00 0.00 58.87 56.52 1wln n SER 49 Cb 0.00 -0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 63.26 1wln n SER 49 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wln s ILE 50 N -2.72 4.15 -0.33 -1.33 1.01 -1.00 -4.95 121.20 116.03 1wln s ILE 50 Ca 0.56 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1wln s ILE 50 Cb -0.03 -2.91 0.10 0.00 0.01 0.00 0.00 42.46 39.64 1wln s ILE 50 CO 0.38 0.26 0.11 -1.58 0.00 0.00 0.00 174.94 174.11 1wln s GLN 51 N -1.91 0.90 0.15 2.79 0.74 -1.26 -3.09 119.66 117.99 1wln s GLN 51 Ca 0.23 -1.32 0.04 0.00 0.05 0.00 0.00 55.36 54.35 1wln s GLN 51 Cb -0.12 -2.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.74 1wln s GLN 51 CO 0.14 -1.00 0.20 -0.51 -0.55 0.00 0.00 175.29 173.57 1wln s LEU 52 N 1.34 4.07 -0.10 3.68 1.43 0.37 -4.94 118.68 124.53 1wln s LEU 52 Ca 0.11 0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1wln s LEU 52 Cb -0.18 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1wln s LEU 52 CO -0.19 0.07 -0.01 -0.36 0.23 0.00 0.00 176.35 176.09 1wln s PHE 53 N -1.71 0.89 0.18 0.29 0.08 -1.26 -3.41 117.98 113.03 1wln s PHE 53 Ca 0.33 -0.40 -0.22 0.00 0.12 0.00 0.00 56.93 56.76 1wln s PHE 53 Cb -0.11 -0.92 0.06 0.00 -0.57 0.00 0.00 43.02 41.47 1wln s PHE 53 CO 0.26 -0.41 0.59 0.20 -0.10 0.00 0.00 175.22 175.76 1wln s GLY 54 N 1.90 -0.46 -0.85 4.36 0.00 -1.26 -5.06 107.32 105.95 1wln s GLY 54 Ca 0.04 0.26 -0.25 0.00 0.00 0.00 0.00 44.72 44.77 1wln s GLY 54 CO -0.06 0.04 1.64 2.56 0.00 0.00 0.00 173.10 177.28 1wln s PRO 55 N -3.79 3.02 0.00 2.90 0.04 -1.26 -1.99 135.00 133.92 1wln s PRO 55 Ca 0.03 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.70 1wln s PRO 55 Cb -0.01 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.67 1wln s PRO 55 CO -0.09 -2.65 0.00 0.41 0.04 0.00 0.00 177.00 174.71 1wln n GLY 56 N 6.36 0.35 3.85 0.56 0.00 -1.26 -4.90 105.19 110.16 1wln n GLY 56 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 1wln n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wln s ILE 57 N -1.22 4.64 0.53 -0.61 -1.09 -0.84 -4.83 121.20 117.78 1wln s ILE 57 Ca 0.00 0.98 0.03 0.00 -2.23 0.00 0.00 60.65 59.42 1wln s ILE 57 Cb 0.00 -3.68 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1wln s ILE 57 CO 0.00 -0.46 0.17 -1.10 -1.23 0.00 0.00 174.94 172.33 1wln s GLN 58 N -3.60 2.23 -0.06 2.79 -1.52 -1.26 -4.90 119.66 113.33 1wln s GLN 58 Ca 0.55 -2.27 -0.09 0.00 -1.95 0.00 0.00 55.36 51.60 1wln s GLN 58 Cb -0.10 -1.76 -0.05 0.00 -0.22 0.00 0.00 33.01 30.88 1wln s GLN 58 CO 0.25 -0.50 0.39 -1.00 -0.25 0.00 0.00 175.29 174.18 1wln h PRO 59 N 1.06 -0.33 -3.29 2.91 0.13 -1.88 0.23 132.00 130.83 1wln h PRO 59 Ca -0.41 0.02 -0.78 0.00 -0.87 0.00 0.00 66.00 63.96 1wln h PRO 59 Cb 1.32 0.07 -0.30 0.00 0.13 0.00 0.00 31.00 32.23 1wln h PRO 59 CO 0.66 -0.22 0.44 1.58 -0.23 0.00 0.00 178.00 180.24 1wln n HIS 60 N -4.97 4.20 0.00 1.56 -0.00 -1.26 -3.11 115.22 111.63 1wln n HIS 60 Ca -0.04 -3.56 0.00 0.00 0.46 0.00 0.00 57.72 54.58 1wln n HIS 60 Cb 0.13 -1.46 0.00 0.00 -0.12 0.00 0.00 29.99 28.55 1wln n HIS 60 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1wln n HIS 61 N 2.15 0.00 -3.59 1.57 -0.00 -0.39 -4.02 115.22 110.95 1wln n HIS 61 Ca 0.25 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.31 1wln n HIS 61 Cb 0.37 -0.39 -0.04 0.00 -0.12 0.00 0.00 29.99 29.81 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 -2.54 6.39 -0.43 0.00 -4.77 -0.68 -1.20 116.67 113.44 1wln s ASP 63 Ca 0.00 0.36 0.02 0.00 -3.30 0.00 0.00 52.55 49.63 1wln s ASP 63 Cb 0.01 -1.99 0.13 0.00 -1.09 0.00 0.00 42.92 39.98 1wln s ASP 63 CO -0.09 0.08 0.23 -0.76 0.70 0.00 0.00 175.17 175.33 1wln s LEU 64 N -2.83 2.60 -0.24 2.11 1.43 0.30 -2.52 118.68 119.52 1wln s LEU 64 Ca 0.37 -2.58 -0.18 0.00 -1.03 0.00 0.00 54.13 50.72 1wln s LEU 64 Cb -0.12 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1wln s LEU 64 CO 0.27 -0.27 0.50 -0.89 0.23 0.00 0.00 176.35 176.19 1wln s THR 65 N 0.42 5.09 -0.32 5.49 2.01 -1.25 -1.74 115.64 125.34 1wln s THR 65 Ca 0.17 0.87 -0.14 0.00 0.31 0.00 0.00 61.69 62.90 1wln s THR 65 Cb -0.24 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1wln s THR 65 CO 0.00 0.12 0.33 0.21 -0.69 0.00 0.00 174.62 174.59 1wln s ASN 66 N 1.42 6.16 -0.43 3.53 2.47 -1.16 -3.32 114.94 123.61 1wln s ASN 66 Ca 0.21 -0.12 0.03 0.00 0.42 0.00 0.00 52.86 53.41 1wln s ASN 66 Cb -0.16 -2.18 0.12 0.00 -1.45 0.00 0.00 41.25 37.58 1wln s ASN 66 CO 0.09 -0.26 0.17 -0.04 -3.72 0.00 0.00 177.10 173.34 1wln s MET 67 N 1.97 1.79 0.00 0.43 -1.94 0.24 -4.27 119.30 117.52 1wln s MET 67 Ca 0.11 -2.20 0.00 0.00 -1.71 0.00 0.00 55.69 51.89 1wln s MET 67 Cb -0.16 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.35 1wln s MET 67 CO 0.11 -1.03 0.00 -3.47 -0.01 0.00 0.00 175.02 170.62 1wln n ASP 68 N 3.80 -2.41 0.00 3.03 2.03 -1.26 -1.94 116.55 119.80 1wln n ASP 68 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1wln n ASP 68 Cb 0.38 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 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 -1.59 1.37 3.74 0.27 0.00 -1.26 -5.08 105.19 102.64 1wln n GLY 69 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1wln n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wln s VAL 70 N -1.14 3.67 -0.02 1.61 0.11 -0.82 -4.76 120.40 119.05 1wln s VAL 70 Ca 0.00 1.43 0.05 0.00 -2.93 0.00 0.00 61.98 60.53 1wln s VAL 70 Cb 0.00 -3.92 -0.01 0.00 -1.53 0.00 0.00 36.38 30.92 1wln s VAL 70 CO 0.00 0.24 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.16 1wln s VAL 71 N -0.20 1.28 -0.09 2.04 1.01 -1.26 0.81 120.40 123.99 1wln s VAL 71 Ca 0.51 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1wln s VAL 71 Cb -0.31 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1wln s VAL 71 CO 0.36 0.37 -0.08 0.42 0.00 0.00 0.00 175.10 176.17 1wln s THR 72 N -0.28 1.00 -0.22 3.92 -4.23 -1.21 0.13 115.64 114.74 1wln s THR 72 Ca 0.04 -0.31 -0.27 0.00 -1.18 0.00 0.00 61.69 59.97 1wln s THR 72 Cb -0.07 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.78 1wln s THR 72 CO -0.00 0.35 0.95 0.54 -0.54 0.00 0.00 174.62 175.92 1wln s VAL 73 N 1.38 4.76 -0.29 2.29 0.11 0.34 -3.95 120.40 125.04 1wln s VAL 73 Ca -0.01 1.83 0.03 0.00 -2.93 0.00 0.00 61.98 60.90 1wln s VAL 73 Cb -0.14 -4.23 0.08 0.00 -1.53 0.00 0.00 36.38 30.56 1wln s VAL 73 CO -0.04 -0.11 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.68 1wln s THR 74 N 2.89 2.17 -0.32 5.04 2.01 -1.05 -1.19 115.64 125.20 1wln s THR 74 Ca 0.41 -1.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.23 1wln s THR 74 Cb -0.15 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1wln s THR 74 CO 0.08 -0.25 1.36 -2.16 -0.69 0.00 0.00 174.62 172.95 1wln s PRO 75 N 1.04 3.82 0.20 4.92 0.04 -1.26 -1.69 135.00 142.07 1wln s PRO 75 Ca -0.01 1.22 0.24 0.00 0.04 0.00 0.00 61.00 62.48 1wln s PRO 75 Cb -0.20 -3.93 0.33 0.00 0.04 0.00 0.00 34.50 30.75 1wln s PRO 75 CO -0.06 -1.24 1.36 0.00 0.04 0.00 0.00 177.00 177.10 1wln h ARG 76 N 9.76 0.00 -5.08 4.56 2.47 -1.72 -3.45 114.38 120.92 1wln h ARG 76 Ca -0.27 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 57.95 1wln h ARG 76 Cb 1.10 0.00 -0.31 0.00 -1.65 0.00 0.00 29.97 29.12 1wln h ARG 76 CO 1.04 0.00 -0.81 -1.12 0.56 0.00 0.00 179.97 179.64 1wln s SER 77 N -4.81 1.72 0.10 7.04 0.01 -1.25 -5.04 113.70 111.47 1wln s SER 77 Ca 0.05 -0.27 -0.14 0.00 1.31 0.00 0.00 55.95 56.90 1wln s SER 77 Cb 0.11 -0.39 -0.11 0.00 0.21 0.00 0.00 66.02 65.84 1wln s SER 77 CO 0.71 0.13 1.37 -0.03 0.41 0.00 0.00 173.24 175.83 1wln h MET 78 N 6.17 0.74 -0.96 12.44 4.05 -1.93 -3.08 114.93 132.35 1wln h MET 78 Ca -0.33 -0.47 0.13 0.00 -0.28 0.00 0.00 59.70 58.74 1wln h MET 78 Cb 1.17 0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 31.94 1wln h MET 78 CO 0.48 1.10 0.58 0.22 0.23 0.00 0.00 176.91 179.52 1wln h ASP 79 N 0.47 0.83 -1.52 1.39 1.82 -1.99 -3.36 116.42 114.05 1wln h ASP 79 Ca 0.01 0.06 -0.41 0.00 -0.39 0.00 0.00 57.03 56.30 1wln h ASP 79 Cb 1.06 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 1wln h ASP 79 CO 0.10 0.41 1.26 0.00 -1.61 0.00 0.00 179.24 179.41 1wln s ALA 80 N -5.96 1.73 -0.32 -0.78 0.00 -1.17 -4.90 121.76 110.37 1wln s ALA 80 Ca -0.12 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1wln s ALA 80 Cb 0.22 -4.38 -0.00 0.00 0.00 0.00 0.00 23.12 18.96 1wln s ALA 80 CO 0.80 -4.45 1.46 -1.21 0.00 0.00 0.00 175.76 172.36 1wln s GLU 81 N 7.75 3.72 -0.27 0.00 8.01 -1.26 -4.88 118.70 131.78 1wln s GLU 81 Ca 0.83 1.26 0.03 0.00 0.01 0.00 0.00 54.97 57.09 1wln s GLU 81 Cb -0.14 -4.00 0.07 0.00 -4.31 0.00 0.00 34.13 25.75 1wln s GLU 81 CO 0.19 -1.38 -0.08 0.99 0.01 0.00 0.00 175.26 174.99 1wln s THR 82 N 5.17 2.05 -0.20 3.63 2.01 -1.25 -0.07 115.64 126.97 1wln s THR 82 Ca 0.64 -1.64 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 1wln s THR 82 Cb -0.18 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.10 1wln s THR 82 CO 0.29 -0.12 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.70 1wln s TYR 83 N 1.14 2.90 -0.80 4.92 2.02 -1.00 -2.53 117.35 124.00 1wln s TYR 83 Ca -0.06 -1.06 -0.15 0.00 -0.37 0.00 0.00 57.07 55.43 1wln s TYR 83 Cb -0.20 -2.04 0.19 0.00 -0.40 0.00 0.00 41.96 39.51 1wln s TYR 83 CO -0.06 -0.57 0.80 0.08 -1.57 0.00 0.00 175.55 174.24 1wln s VAL 84 N 1.32 5.37 0.00 0.71 1.01 0.30 -1.74 120.40 127.37 1wln s VAL 84 Ca 0.04 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.89 1wln s VAL 84 Cb -0.14 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.72 1wln s VAL 84 CO -0.05 -1.11 0.00 -0.67 0.00 0.00 0.00 175.10 173.28 1wln n ASP 85 N 4.71 -1.65 -0.30 3.32 2.03 -0.94 -3.53 116.55 120.19 1wln n ASP 85 Ca 0.12 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.39 1wln n ASP 85 Cb 0.46 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 86 N -0.51 0.68 2.95 0.27 0.00 -1.26 -4.98 105.19 102.35 1wln n GLY 86 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.96 1.83 0.59 1.61 -0.21 -1.23 -5.04 119.66 115.26 1wln s GLN 87 Ca 0.00 -0.54 -0.17 0.00 0.02 0.00 0.00 55.36 54.68 1wln s GLN 87 Cb 0.00 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 1wln s GLN 87 CO 0.00 -0.34 1.08 0.50 -2.12 0.00 0.00 175.29 174.41 1wln s ARG 88 N 1.56 3.23 0.16 2.91 3.52 -1.26 0.11 118.95 129.18 1wln s ARG 88 Ca 0.03 1.33 0.11 0.00 -0.13 0.00 0.00 55.73 57.06 1wln s ARG 88 Cb -0.14 -2.01 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 1wln s ARG 88 CO -0.09 -0.90 -0.24 0.96 -0.81 0.00 0.00 175.30 174.22 1wln s ILE 89 N -2.27 2.22 -0.06 4.11 -4.36 -1.05 -4.86 121.20 114.93 1wln s ILE 89 Ca 0.66 -1.88 0.06 0.00 -0.26 0.00 0.00 60.65 59.23 1wln s ILE 89 Cb -0.18 -2.01 -0.09 0.00 1.25 0.00 0.00 42.46 41.42 1wln s ILE 89 CO 0.35 -0.05 0.16 -0.24 0.24 0.00 0.00 174.94 175.40 1wln n SER 90 N 0.58 2.96 -2.32 4.36 2.88 -1.26 -4.88 113.62 115.94 1wln n SER 90 Ca -0.15 -0.12 -0.11 0.00 -1.33 0.00 0.00 58.87 57.16 1wln n SER 90 Cb 0.55 1.24 -0.04 0.00 -0.75 0.00 0.00 64.21 65.21 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 -1.62 0.30 -1.53 -1.46 -0.58 -1.26 -4.90 120.64 109.60 1wln n GLU 91 Ca -0.01 -1.94 -0.45 0.00 -0.42 0.00 0.00 57.16 54.34 1wln n GLU 91 Cb 0.15 1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 32.64 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 -0.38 0.23 -4.17 2.62 -1.04 -1.26 -4.68 114.28 105.61 1wln n THR 92 Ca 0.03 -0.40 -0.34 0.00 -2.04 0.00 0.00 64.05 61.30 1wln n THR 92 Cb 0.37 -2.16 -0.14 0.00 -1.82 0.00 0.00 70.33 66.57 1wln n THR 92 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wln s THR 93 N 8.31 3.27 0.37 12.58 2.01 -0.33 -4.91 115.64 136.94 1wln s THR 93 Ca 1.05 -0.55 -0.28 0.00 0.31 0.00 0.00 61.69 62.22 1wln s THR 93 Cb -0.56 -2.45 -0.11 0.00 0.01 0.00 0.00 72.50 69.40 1wln s THR 93 CO 0.40 0.46 1.46 -0.32 -0.69 0.00 0.00 174.62 175.94 1wln s MET 94 N 1.10 4.14 0.07 4.92 1.75 -1.26 -0.51 119.30 129.51 1wln s MET 94 Ca 0.01 2.53 0.02 0.00 -1.25 0.00 0.00 55.69 57.00 1wln s MET 94 Cb -0.15 -2.98 -0.04 0.00 2.84 0.00 0.00 34.83 34.51 1wln s MET 94 CO -0.01 -0.49 0.09 -0.51 -0.65 0.00 0.00 175.02 173.45 1wln s LEU 95 N -2.06 3.86 0.28 4.11 1.43 0.34 -4.85 118.68 121.79 1wln s LEU 95 Ca 0.52 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1wln s LEU 95 Cb -0.46 -2.49 -0.06 0.00 0.03 0.00 0.00 46.19 43.21 1wln s LEU 95 CO 0.62 0.19 0.06 -1.10 0.23 0.00 0.00 176.35 176.35 1wln s GLN 96 N -2.31 1.49 0.08 1.70 -0.21 -1.26 -4.35 119.66 114.79 1wln s GLN 96 Ca 0.29 -1.80 -0.31 0.00 0.02 0.00 0.00 55.36 53.56 1wln s GLN 96 Cb -0.12 -0.57 -0.06 0.00 1.00 0.00 0.00 33.01 33.26 1wln s GLN 96 CO 0.21 -0.21 1.23 -1.54 -2.12 0.00 0.00 175.29 172.86 1wln s SER 97 N -3.38 7.03 0.00 5.90 1.04 -1.25 -2.68 113.70 120.36 1wln s SER 97 Ca 0.35 2.08 0.00 0.00 0.48 0.00 0.00 55.95 58.87 1wln s SER 97 Cb 0.08 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1wln s SER 97 CO 0.13 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1wln n GLY 98 N 3.21 3.04 3.76 7.32 0.00 0.15 -4.95 105.19 117.71 1wln n GLY 98 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.70 2.25 -2.92 1.61 2.00 -1.09 -4.75 117.12 113.52 1wln n MET 99 Ca 0.00 0.80 -0.28 0.00 0.00 0.00 0.00 57.70 58.22 1wln n MET 99 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 33.22 30.60 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 -2.40 3.62 -0.09 0.03 0.52 -1.26 -1.00 118.95 118.37 1wln s ARG 100 Ca 0.61 0.17 -0.01 0.00 -0.52 0.00 0.00 55.73 55.98 1wln s ARG 100 Cb -0.46 -2.47 0.03 0.00 0.52 0.00 0.00 34.95 32.57 1wln s ARG 100 CO 0.58 -0.04 -0.02 -0.51 0.02 0.00 0.00 175.30 175.34 1wln s LEU 101 N -4.22 0.77 -0.32 2.53 2.01 0.52 -2.21 118.68 117.76 1wln s LEU 101 Ca 0.47 -0.17 0.00 0.00 0.01 0.00 0.00 54.13 54.44 1wln s LEU 101 Cb -0.10 -0.56 0.07 0.00 0.01 0.00 0.00 46.19 45.61 1wln s LEU 101 CO 0.37 -0.18 0.02 -1.58 1.01 0.00 0.00 176.35 175.99 1wln s GLN 102 N 1.90 2.14 -0.96 1.70 0.74 -0.71 0.17 119.66 124.64 1wln s GLN 102 Ca 0.05 -1.49 -0.13 0.00 0.05 0.00 0.00 55.36 53.84 1wln s GLN 102 Cb -0.13 -3.19 0.23 0.00 1.10 0.00 0.00 33.01 31.02 1wln s GLN 102 CO -0.06 -0.75 0.96 -0.06 -0.55 0.00 0.00 175.29 174.83 1wln s PHE 103 N 1.14 3.89 0.00 1.67 0.08 -0.94 -2.36 117.98 121.46 1wln s PHE 103 Ca -0.01 -2.22 0.00 0.00 0.12 0.00 0.00 56.93 54.83 1wln s PHE 103 Cb -0.20 -3.89 0.00 0.00 -0.57 0.00 0.00 43.02 38.36 1wln s PHE 103 CO -0.04 -1.04 0.00 0.41 -0.10 0.00 0.00 175.22 174.46 1wln n GLY 104 N 3.63 1.23 0.00 4.36 0.00 0.90 -4.46 105.19 110.84 1wln n GLY 104 Ca 0.20 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.65 114.28 116.64 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 -0.24 -3.05 0.00 0.00 175.07 171.78 1wln n SER 106 N 0.00 0.00 -4.59 1.09 2.88 -1.26 -5.10 113.62 106.64 1wln n SER 106 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1wln n SER 106 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 -0.90 3.22 -0.05 0.66 4.02 -1.26 -4.79 115.29 116.20 1wln s HIS 107 Ca 0.00 0.12 0.07 0.00 1.02 0.00 0.00 55.06 56.27 1wln s HIS 107 Cb 0.00 -2.39 -0.01 0.00 -1.02 0.00 0.00 32.58 29.15 1wln s HIS 107 CO 0.00 -0.17 -0.25 0.08 1.02 0.00 0.00 174.74 175.42 1wln s VAL 108 N 1.78 2.01 0.36 -0.90 1.01 -1.26 -2.21 120.40 121.19 1wln s VAL 108 Ca 0.07 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1wln s VAL 108 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1wln s VAL 108 CO 0.11 0.56 0.11 -0.36 0.00 0.00 0.00 175.10 175.52 1wln s PHE 109 N -0.29 1.79 -0.10 5.22 0.08 0.46 -0.17 117.98 124.98 1wln s PHE 109 Ca 0.01 -1.20 -0.03 0.00 0.12 0.00 0.00 56.93 55.83 1wln s PHE 109 Cb -0.12 -1.14 0.04 0.00 -0.57 0.00 0.00 43.02 41.23 1wln s PHE 109 CO 0.02 -0.24 0.07 0.21 -0.10 0.00 0.00 175.22 175.18 1wln s LYS 110 N -3.80 0.03 0.16 0.44 2.20 -0.57 0.19 119.74 118.40 1wln s LYS 110 Ca 0.29 0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.77 1wln s LYS 110 Cb 0.05 -1.10 -0.07 0.00 -1.51 0.00 0.00 37.83 35.20 1wln s LYS 110 CO 0.15 -0.47 0.96 0.12 -0.36 0.00 0.00 175.35 175.75 1wln s PHE 111 N 2.14 3.87 0.06 4.03 2.19 -0.17 0.35 117.98 130.45 1wln s PHE 111 Ca 0.04 1.84 0.03 0.00 0.33 0.00 0.00 56.93 59.16 1wln s PHE 111 Cb -0.14 -3.04 -0.03 0.00 -1.31 0.00 0.00 43.02 38.51 1wln s PHE 111 CO -0.06 0.27 -0.10 0.08 1.83 0.00 0.00 175.22 177.25 1wln s VAL 112 N -0.43 0.75 -0.31 3.12 1.01 0.03 0.32 120.40 124.89 1wln s VAL 112 Ca 0.45 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1wln s VAL 112 Cb -0.24 -0.92 0.08 0.00 0.00 0.00 0.00 36.38 35.30 1wln s VAL 112 CO 0.31 -0.41 -0.01 -0.62 0.00 0.00 0.00 175.10 174.37 1wln s ASP 113 N -1.86 4.61 0.00 3.32 -1.08 -1.26 -1.98 116.67 118.42 1wln s ASP 113 Ca -0.04 -1.84 0.22 0.00 -0.52 0.00 0.00 52.55 50.38 1wln s ASP 113 Cb -0.08 -1.58 1.08 0.00 -1.46 0.00 0.00 42.92 40.89 1wln s ASP 113 CO 0.00 -0.30 1.73 -0.81 0.52 0.00 0.00 175.17 176.31 1wln n PRO 114 N 4.34 0.23 -0.26 4.34 -0.04 -1.26 -3.34 135.00 139.02 1wln n PRO 114 Ca -0.03 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1wln n PRO 114 Cb 0.42 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.55 -2.24 3.54 0.02 -1.82 -3.43 113.55 110.18 1wln h SER 115 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1wln h SER 115 Cb 0.26 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1wln h SER 115 CO 0.00 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1wln n GLY 116 N -1.30 2.29 3.81 -3.77 0.00 -1.21 -5.02 105.19 99.99 1wln n GLY 116 Ca 0.11 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.55 3.29 0.27 1.61 0.04 -1.26 -4.98 135.00 129.41 1wln s PRO 117 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1wln s PRO 117 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1wln s PRO 117 CO 0.00 -0.83 0.00 0.45 0.04 0.00 0.00 177.00 176.66 1wln n SER 118 N -2.25 -0.10 -3.38 6.66 2.88 -1.26 -5.02 113.62 111.14 1wln n SER 118 Ca 0.08 0.45 -0.27 0.00 -1.33 0.00 0.00 58.87 57.81 1wln n SER 118 Cb 0.53 0.36 -0.10 0.00 -0.75 0.00 0.00 64.21 64.25 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 -3.43 -0.48 -0.14 -3.46 2.88 -1.26 -5.37 113.62 102.36 1wln n SER 119 Ca 0.00 -2.38 0.02 0.00 -1.33 0.00 0.00 58.87 55.17 1wln n SER 119 Cb 0.00 -0.55 0.02 0.00 -0.75 0.00 0.00 64.21 62.93 1wln n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42