#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hcf s ALA 6 N 0.00 3.28 0.19 2.41 0.00 -1.26 -5.07 121.76 121.32 1hcf s ALA 6 Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 50.87 1hcf s ALA 6 Cb 0.00 -1.67 -0.16 0.00 0.00 0.00 0.00 23.12 21.29 1hcf s ALA 6 CO 0.00 0.36 1.01 -2.30 0.00 0.00 0.00 175.76 174.83 1hcf n PRO 7 N 2.95 0.93 0.26 0.00 -0.02 -1.26 -4.78 135.00 133.07 1hcf n PRO 7 Ca -0.18 0.33 0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1hcf n PRO 7 Cb 0.53 -1.71 0.69 0.00 -0.02 0.00 0.00 33.50 32.99 1hcf n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hcf h ALA 8 N 2.59 1.66 -0.02 3.55 0.00 -1.97 0.11 119.26 125.18 1hcf h ALA 8 Ca -0.40 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 1hcf h ALA 8 Cb 1.37 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.17 1hcf h ALA 8 CO 0.65 -0.54 -0.94 0.66 0.00 0.00 0.00 179.25 179.08 1hcf h SER 9 N 0.00 0.64 0.70 0.00 4.64 -1.94 -3.19 113.55 114.41 1hcf h SER 9 Ca 0.06 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1hcf h SER 9 Cb 1.01 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1hcf h SER 9 CO -0.00 1.29 0.00 0.54 -0.87 0.00 0.00 176.83 177.79 1hcf n ARG 10 N -3.79 0.03 -1.38 4.77 1.74 0.38 -4.72 116.66 113.69 1hcf n ARG 10 Ca -0.07 0.20 -0.03 0.00 -0.77 0.00 0.00 57.85 57.18 1hcf n ARG 10 Cb 0.83 -1.55 0.01 0.00 -1.02 0.00 0.00 32.46 30.72 1hcf n ARG 10 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1hcf n ARG 11 N -1.61 1.06 0.00 5.56 1.74 -1.20 -5.04 116.66 117.16 1hcf n ARG 11 Ca 0.04 -0.40 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 1hcf n ARG 11 Cb 0.23 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 1hcf n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hcf n GLY 12 N 4.12 2.46 3.60 -0.13 0.00 -1.26 -5.01 105.19 108.96 1hcf n GLY 12 Ca 0.02 -1.86 -0.54 0.00 0.00 0.00 0.00 46.02 43.63 1hcf n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hcf n GLU 13 N 0.00 0.94 -3.73 1.61 1.02 -1.26 -4.95 120.64 114.26 1hcf n GLU 13 Ca 0.00 0.34 -0.26 0.00 -0.02 0.00 0.00 57.16 57.22 1hcf n GLU 13 Cb 0.00 -1.96 -0.03 0.00 -0.02 0.00 0.00 31.44 29.43 1hcf n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hcf s LEU 14 N 0.89 4.23 0.06 -4.62 1.43 -1.26 -5.09 118.68 114.31 1hcf s LEU 14 Ca 0.88 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 54.20 1hcf s LEU 14 Cb -1.03 -3.11 -0.06 0.00 0.03 0.00 0.00 46.19 42.02 1hcf s LEU 14 CO 0.52 -0.07 0.39 0.00 0.23 0.00 0.00 176.35 177.42 1hcf s ALA 15 N -1.93 3.73 0.14 4.21 0.00 -1.26 -4.96 121.76 121.69 1hcf s ALA 15 Ca 0.37 -0.37 0.19 0.00 0.00 0.00 0.00 51.96 52.16 1hcf s ALA 15 Cb -0.11 -2.28 0.67 0.00 0.00 0.00 0.00 23.12 21.41 1hcf s ALA 15 CO 0.30 0.56 1.73 0.28 0.00 0.00 0.00 175.76 178.62 1hcf h VAL 16 N 3.04 0.83 -3.52 0.00 2.07 -1.96 -3.43 116.25 113.27 1hcf h VAL 16 Ca -0.50 -1.51 -0.31 0.00 0.82 0.00 0.00 66.70 65.21 1hcf h VAL 16 Cb 1.20 1.94 -0.34 0.00 -1.52 0.00 0.00 31.29 32.57 1hcf h VAL 16 CO 0.65 0.35 -0.73 0.00 0.02 0.00 0.00 177.57 177.86 1hcf s ASP 18 N 1.04 7.24 0.31 0.00 1.01 -0.92 -4.93 116.67 120.41 1hcf s ASP 18 Ca -0.09 2.13 0.08 0.00 0.71 0.00 0.00 52.55 55.38 1hcf s ASP 18 Cb -0.13 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.13 1hcf s ASP 18 CO -0.03 -0.24 -0.08 0.00 0.21 0.00 0.00 175.17 175.04 1hcf s ALA 19 N -0.29 2.63 -0.04 5.23 0.00 -1.26 -0.46 121.76 127.57 1hcf s ALA 19 Ca 0.49 -1.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 1hcf s ALA 19 Cb -0.30 0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1hcf s ALA 19 CO 0.36 0.00 0.02 0.08 0.00 0.00 0.00 175.76 176.22 1hcf s VAL 20 N -2.82 0.09 0.25 0.00 1.01 -0.11 -4.72 120.40 114.10 1hcf s VAL 20 Ca 0.31 0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.59 1hcf s VAL 20 Cb 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1hcf s VAL 20 CO 0.14 0.17 0.06 -0.44 0.00 0.00 0.00 175.10 175.03 1hcf s SER 21 N 1.56 4.86 0.00 3.32 0.01 -1.26 -1.43 113.70 120.76 1hcf s SER 21 Ca -0.02 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1hcf s SER 21 Cb -0.13 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.07 1hcf s SER 21 CO -0.03 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1hcf n GLY 22 N -0.92 0.78 3.77 3.44 0.00 -0.74 -5.00 105.19 106.53 1hcf n GLY 22 Ca -0.07 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 1hcf n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1hcf s TRP 23 N -2.00 3.85 -0.34 1.61 0.52 -1.26 -1.74 118.94 119.58 1hcf s TRP 23 Ca 0.00 1.52 -0.02 0.00 0.02 0.00 0.00 56.10 57.62 1hcf s TRP 23 Cb 0.00 -2.73 0.07 0.00 -1.15 0.00 0.00 33.47 29.66 1hcf s TRP 23 CO 0.00 0.47 0.07 0.08 0.02 0.00 0.00 176.95 177.59 1hcf s VAL 24 N -0.86 3.15 -2.11 4.03 1.01 0.13 -4.93 120.40 120.82 1hcf s VAL 24 Ca 0.35 -1.58 0.21 0.00 0.00 0.00 0.00 61.98 60.96 1hcf s VAL 24 Cb -0.22 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.28 1hcf s VAL 24 CO 0.24 -0.30 1.06 0.35 0.00 0.00 0.00 175.10 176.45 1hcf n THR 25 N 4.63 0.00 -1.64 3.92 -2.24 -1.26 -0.98 114.28 116.70 1hcf n THR 25 Ca -0.09 -0.35 0.06 0.00 -2.27 0.00 0.00 64.05 61.39 1hcf n THR 25 Cb 0.43 1.30 0.19 0.00 -2.10 0.00 0.00 70.33 70.15 1hcf n THR 25 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hcf n ASP 26 N 0.35 1.68 -4.59 3.42 5.75 -1.26 -4.91 116.55 116.98 1hcf n ASP 26 Ca 0.10 -3.72 -0.43 0.00 -0.01 0.00 0.00 54.79 50.73 1hcf n ASP 26 Cb 0.46 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 1hcf n ASP 26 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1hcf s ARG 27 N -2.96 3.71 0.01 0.11 3.52 -1.26 -4.86 118.95 117.22 1hcf s ARG 27 Ca 0.37 0.44 0.22 0.00 -0.13 0.00 0.00 55.73 56.64 1hcf s ARG 27 Cb 0.37 -3.87 -0.13 0.00 -1.56 0.00 0.00 34.95 29.76 1hcf s ARG 27 CO -0.07 -1.15 0.89 0.54 -0.81 0.00 0.00 175.30 174.70 1hcf n ARG 28 N 7.17 0.20 -4.00 5.12 1.74 -1.26 -4.65 116.66 120.98 1hcf n ARG 28 Ca 0.08 -0.04 -0.08 0.00 -0.77 0.00 0.00 57.85 57.04 1hcf n ARG 28 Cb 0.48 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.30 1hcf n ARG 28 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1hcf s THR 29 N -3.15 0.16 0.32 0.55 -4.23 -1.26 -0.77 115.64 107.27 1hcf s THR 29 Ca 0.04 -1.32 -0.13 0.00 -1.18 0.00 0.00 61.69 59.10 1hcf s THR 29 Cb 0.15 -1.02 0.02 0.00 1.34 0.00 0.00 72.50 73.00 1hcf s THR 29 CO 0.85 -0.73 0.63 0.00 -0.54 0.00 0.00 174.62 174.82 1hcf s ALA 30 N -2.92 -0.35 -0.14 3.99 0.00 -0.54 -4.88 121.76 116.92 1hcf s ALA 30 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1hcf s ALA 30 Cb 0.01 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 1hcf s ALA 30 CO -0.06 -0.92 -0.15 0.08 0.00 0.00 0.00 175.76 174.71 1hcf s VAL 31 N -3.20 2.78 0.33 0.00 1.01 -1.26 -0.54 120.40 119.51 1hcf s VAL 31 Ca 0.20 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1hcf s VAL 31 Cb -0.03 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.26 1hcf s VAL 31 CO 0.12 0.52 0.44 -0.90 0.00 0.00 0.00 175.10 175.29 1hcf n ASP 32 N 3.80 0.26 -0.20 3.32 5.68 -0.85 -1.63 116.55 126.93 1hcf n ASP 32 Ca -0.19 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1hcf n ASP 32 Cb 0.52 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1hcf n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hcf n LEU 33 N 0.00 0.29 0.00 -2.12 -0.00 -0.88 -2.12 117.00 112.18 1hcf n LEU 33 Ca 0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1hcf n LEU 33 Cb 0.22 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1hcf n LEU 33 CO 0.16 0.07 0.38 0.54 -0.00 0.00 0.00 177.39 178.54 1hcf n ARG 34 N -0.25 1.60 -0.97 1.47 1.74 -1.26 -5.00 116.66 113.99 1hcf n ARG 34 Ca 0.00 -1.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 1hcf n ARG 34 Cb 0.07 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 1hcf n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hcf n GLY 35 N -0.27 0.48 3.86 -0.13 0.00 -0.90 -5.03 105.19 103.21 1hcf n GLY 35 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1hcf n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hcf s ARG 36 N -0.39 3.88 0.09 1.61 0.52 -1.26 -4.82 118.95 118.57 1hcf s ARG 36 Ca 0.00 0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 55.27 1hcf s ARG 36 Cb 0.00 -2.91 -0.05 0.00 0.52 0.00 0.00 34.95 32.51 1hcf s ARG 36 CO 0.00 0.48 0.99 -2.00 0.02 0.00 0.00 175.30 174.79 1hcf s GLU 37 N -2.07 4.64 0.10 3.54 2.12 -1.26 -2.00 118.70 123.76 1hcf s GLU 37 Ca 0.38 1.49 0.04 0.00 0.36 0.00 0.00 54.97 57.24 1hcf s GLU 37 Cb -0.14 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1hcf s GLU 37 CO 0.19 0.11 -0.11 0.14 -0.54 0.00 0.00 175.26 175.05 1hcf s VAL 38 N 0.30 1.01 -0.02 3.70 -7.23 0.29 -4.49 120.40 113.96 1hcf s VAL 38 Ca 0.49 -1.59 -0.19 0.00 -1.81 0.00 0.00 61.98 58.89 1hcf s VAL 38 Cb -0.24 -1.32 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 1hcf s VAL 38 CO 0.30 -0.49 0.52 -1.61 -0.31 0.00 0.00 175.10 173.52 1hcf s GLU 39 N -2.59 4.22 -0.37 4.82 0.41 0.56 -1.47 118.70 124.29 1hcf s GLU 39 Ca 0.04 0.60 -0.16 0.00 -0.41 0.00 0.00 54.97 55.05 1hcf s GLU 39 Cb -0.04 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 1hcf s GLU 39 CO 0.01 0.43 0.37 0.08 -0.49 0.00 0.00 175.26 175.65 1hcf s VAL 40 N -0.33 5.17 0.68 2.63 1.01 0.05 -0.91 120.40 128.70 1hcf s VAL 40 Ca 0.28 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1hcf s VAL 40 Cb -0.17 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1hcf s VAL 40 CO 0.15 -0.21 1.25 -0.76 0.00 0.00 0.00 175.10 175.53 1hcf s LEU 41 N 1.99 3.46 0.32 3.92 1.02 -0.94 -4.75 118.68 123.68 1hcf s LEU 41 Ca 0.11 2.48 0.25 0.00 0.02 0.00 0.00 54.13 56.99 1hcf s LEU 41 Cb -0.17 -4.60 0.67 0.00 0.02 0.00 0.00 46.19 42.11 1hcf s LEU 41 CO 0.12 -2.11 1.72 1.23 0.02 0.00 0.00 176.35 177.33 1hcf h GLY 42 N 0.16 0.00 -5.20 -3.19 0.00 -1.89 -3.43 103.07 89.52 1hcf h GLY 42 Ca -0.49 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.56 1hcf h GLY 42 CO 0.51 0.00 -0.74 -0.54 0.00 0.00 0.00 176.54 175.78 1hcf s GLU 43 N -3.18 0.36 0.27 4.80 2.02 -1.26 -0.74 118.70 120.97 1hcf s GLU 43 Ca 0.08 -0.35 0.08 0.00 0.02 0.00 0.00 54.97 54.80 1hcf s GLU 43 Cb 0.09 -0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.04 1hcf s GLU 43 CO 0.61 0.06 0.17 0.54 0.02 0.00 0.00 175.26 176.65 1hcf s VAL 44 N -0.58 4.01 1.05 2.63 0.11 -0.52 -4.81 120.40 122.28 1hcf s VAL 44 Ca -0.03 -1.53 -0.24 0.00 -2.93 0.00 0.00 61.98 57.25 1hcf s VAL 44 Cb -0.05 -3.23 -0.06 0.00 -1.53 0.00 0.00 36.38 31.51 1hcf s VAL 44 CO -0.00 -0.32 -0.87 -2.65 -3.33 0.00 0.00 175.10 167.93 1hcf n PRO 45 N -1.15 -0.72 -3.35 1.54 -0.02 -1.26 -4.28 135.00 125.76 1hcf n PRO 45 Ca -0.06 -0.20 -0.22 0.00 -2.02 0.00 0.00 63.50 60.99 1hcf n PRO 45 Cb 0.59 -1.30 -0.00 0.00 -0.02 0.00 0.00 33.50 32.76 1hcf n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hcf s ALA 46 N -2.10 3.84 -0.00 3.55 0.00 -1.26 -4.77 121.76 121.02 1hcf s ALA 46 Ca 0.44 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1hcf s ALA 46 Cb 0.01 -1.99 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 1hcf s ALA 46 CO 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 175.76 176.31 1hcf n ALA 47 N -1.80 2.00 -0.33 0.00 0.00 -1.26 -5.17 120.51 113.95 1hcf n ALA 47 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1hcf n ALA 47 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1hcf n ALA 47 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hcf n SER 50 N -1.15 0.00 -1.58 0.00 7.64 -1.26 -5.29 113.62 111.98 1hcf n SER 50 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1hcf n SER 50 Cb 0.00 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1hcf n SER 50 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1hcf n PRO 51 N -1.45 2.61 0.00 1.43 -0.02 -1.26 -5.03 135.00 131.27 1hcf n PRO 51 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1hcf n PRO 51 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 1hcf n PRO 51 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1hcf n LEU 52 N 0.00 0.00 -4.75 2.45 7.94 -1.26 -4.76 117.00 116.62 1hcf n LEU 52 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 1hcf n LEU 52 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1hcf n LEU 52 CO 0.00 0.00 1.21 -2.11 -1.11 0.00 0.00 177.39 175.38 1hcf n ARG 53 N 0.00 2.68 -3.26 1.96 0.00 -1.26 -1.45 116.66 115.33 1hcf n ARG 53 Ca 0.00 0.95 -0.39 0.00 -0.00 0.00 0.00 57.85 58.41 1hcf n ARG 53 Cb 0.00 -2.72 -0.07 0.00 -0.00 0.00 0.00 32.46 29.68 1hcf n ARG 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1hcf s GLN 54 N -0.89 4.23 0.28 2.89 0.74 0.08 -4.77 119.66 122.22 1hcf s GLN 54 Ca 0.61 0.42 -0.07 0.00 0.05 0.00 0.00 55.36 56.38 1hcf s GLN 54 Cb -0.50 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.08 1hcf s GLN 54 CO 0.52 -0.07 0.42 1.52 -0.55 0.00 0.00 175.29 177.13 1hcf s TYR 55 N 1.37 0.76 0.26 1.67 1.13 -1.26 -4.83 117.35 116.45 1hcf s TYR 55 Ca 0.25 -1.05 0.03 0.00 -1.41 0.00 0.00 57.07 54.88 1hcf s TYR 55 Cb -0.15 -0.03 -0.05 0.00 -1.10 0.00 0.00 41.96 40.62 1hcf s TYR 55 CO 0.10 -0.99 0.05 -0.06 -2.51 0.00 0.00 175.55 172.13 1hcf s PHE 56 N -3.66 1.65 -0.39 -3.49 0.08 -0.15 -4.94 117.98 107.08 1hcf s PHE 56 Ca 0.28 -1.02 -0.07 0.00 0.12 0.00 0.00 56.93 56.24 1hcf s PHE 56 Cb 0.01 -1.00 0.07 0.00 -0.57 0.00 0.00 43.02 41.53 1hcf s PHE 56 CO 0.14 -0.13 0.19 0.12 -0.10 0.00 0.00 175.22 175.43 1hcf s PHE 57 N -3.51 3.36 0.23 0.36 5.36 -1.26 0.21 117.98 122.73 1hcf s PHE 57 Ca 0.34 -1.70 0.10 0.00 -0.96 0.00 0.00 56.93 54.70 1hcf s PHE 57 Cb 0.07 -2.77 -0.04 0.00 -0.34 0.00 0.00 43.02 39.94 1hcf s PHE 57 CO 0.12 -0.84 -0.08 -1.21 -1.46 0.00 0.00 175.22 171.75 1hcf s GLU 58 N 1.35 2.09 -0.06 10.12 2.02 -0.71 -4.88 118.70 128.63 1hcf s GLU 58 Ca 0.02 -1.41 -0.01 0.00 0.02 0.00 0.00 54.97 53.59 1hcf s GLU 58 Cb -0.22 -2.10 0.03 0.00 0.10 0.00 0.00 34.13 31.94 1hcf s GLU 58 CO 0.01 0.39 0.01 0.99 0.02 0.00 0.00 175.26 176.68 1hcf s THR 59 N -2.07 0.23 0.44 3.63 2.01 0.27 -1.79 115.64 118.36 1hcf s THR 59 Ca 0.28 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.51 1hcf s THR 59 Cb -0.07 -0.40 -0.06 0.00 0.01 0.00 0.00 72.50 71.98 1hcf s THR 59 CO 0.17 0.22 0.01 -0.13 -0.69 0.00 0.00 174.62 174.20 1hcf s ARG 60 N 1.82 2.04 0.21 4.92 0.52 -0.51 -2.71 118.95 125.24 1hcf s ARG 60 Ca 0.02 -2.21 -0.30 0.00 -0.52 0.00 0.00 55.73 52.72 1hcf s ARG 60 Cb -0.12 -1.58 -0.08 0.00 0.52 0.00 0.00 34.95 33.69 1hcf s ARG 60 CO -0.04 -0.17 0.98 0.00 0.02 0.00 0.00 175.30 176.09 1hcf n LYS 62 N 1.78 1.55 -1.80 0.00 3.00 0.39 -4.80 118.16 118.29 1hcf n LYS 62 Ca -0.01 0.52 -0.42 0.00 -0.00 0.00 0.00 58.31 58.40 1hcf n LYS 62 Cb 0.47 -2.50 -0.03 0.00 0.00 0.00 0.00 35.03 32.97 1hcf n LYS 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hcf s ALA 63 N 5.41 3.58 -0.28 3.14 0.00 -1.26 -2.94 121.76 129.40 1hcf s ALA 63 Ca 1.01 1.17 -0.24 0.00 0.00 0.00 0.00 51.96 53.90 1hcf s ALA 63 Cb -0.81 -3.81 0.12 0.00 0.00 0.00 0.00 23.12 18.62 1hcf s ALA 63 CO 0.53 -1.53 1.01 0.34 0.00 0.00 0.00 175.76 176.11 1hcf s ASP 64 N 4.08 -0.47 -0.18 0.00 -1.08 -1.26 -4.99 116.67 112.76 1hcf s ASP 64 Ca 0.83 0.89 0.17 0.00 -0.52 0.00 0.00 52.55 53.92 1hcf s ASP 64 Cb -0.39 0.95 -0.24 0.00 -1.46 0.00 0.00 42.92 41.78 1hcf s ASP 64 CO 0.37 -0.15 0.08 0.00 0.52 0.00 0.00 175.17 175.99 1hcf n ALA 66 N 2.47 1.57 -3.13 3.66 0.00 -1.26 -4.74 120.51 119.07 1hcf n ALA 66 Ca -0.13 -1.23 -0.45 0.00 0.00 0.00 0.00 53.44 51.62 1hcf n ALA 66 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 1hcf n ALA 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1hcf s GLU 67 N -2.49 3.84 0.68 0.00 4.04 -1.26 -5.04 118.70 118.46 1hcf s GLU 67 Ca -0.09 -2.45 -0.17 0.00 0.04 0.00 0.00 54.97 52.30 1hcf s GLU 67 Cb 0.06 -4.73 -0.09 0.00 0.02 0.00 0.00 34.13 29.38 1hcf s GLU 67 CO 0.78 -1.52 0.15 0.39 -1.84 0.00 0.00 175.26 173.22 1hcf n GLU 68 N 4.80 0.19 0.00 -4.83 1.02 -1.26 -4.46 120.64 116.10 1hcf n GLU 68 Ca 0.24 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1hcf n GLU 68 Cb 0.45 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1hcf n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hcf n GLY 69 N 2.17 2.18 3.66 0.62 0.00 -1.26 -5.11 105.19 107.46 1hcf n GLY 69 Ca 0.08 -0.51 -0.48 0.00 0.00 0.00 0.00 46.02 45.11 1hcf n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcf n GLY 70 N 0.00 1.08 3.77 -0.02 0.00 -1.26 -4.88 105.19 103.89 1hcf n GLY 70 Ca 0.00 0.71 -0.36 0.00 0.00 0.00 0.00 46.02 46.37 1hcf n GLY 70 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hcf s PRO 71 N 1.56 3.54 0.00 1.61 0.02 -1.26 -3.87 135.00 136.60 1hcf s PRO 71 Ca 0.83 1.64 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1hcf s PRO 71 Cb -0.74 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 31.63 1hcf s PRO 71 CO 0.43 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 1hcf n GLY 72 N 0.22 0.76 3.79 0.52 0.00 0.50 -4.75 105.19 106.23 1hcf n GLY 72 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1hcf n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hcf s ALA 73 N -2.70 3.64 -0.19 4.61 0.00 -1.25 -2.17 121.76 123.70 1hcf s ALA 73 Ca 0.00 -0.70 -0.34 0.00 0.00 0.00 0.00 51.96 50.91 1hcf s ALA 73 Cb 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 1hcf s ALA 73 CO 0.00 0.57 1.99 0.41 0.00 0.00 0.00 175.76 178.73 1hcf n GLY 74 N 2.18 1.11 0.00 0.00 0.00 -1.15 -0.60 105.19 106.72 1hcf n GLY 74 Ca -0.19 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1hcf n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcf n GLY 75 N 5.11 1.11 0.00 -0.02 0.00 -1.18 -4.33 105.19 105.88 1hcf n GLY 75 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1hcf n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hcf n GLY 76 N -1.11 5.69 3.76 -0.02 0.00 0.23 -4.88 105.19 108.86 1hcf n GLY 76 Ca 0.00 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 1hcf n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hcf s GLY 77 N -0.59 1.67 0.23 -0.02 0.00 -1.26 -2.39 107.32 104.96 1hcf s GLY 77 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 1hcf s GLY 77 CO 0.00 0.58 0.45 0.00 0.00 0.00 0.00 173.10 174.12 1hcf s ARG 79 N -3.38 4.43 0.00 0.00 3.52 -0.47 -3.51 118.95 119.54 1hcf s ARG 79 Ca 0.40 1.89 0.00 0.00 -0.13 0.00 0.00 55.73 57.89 1hcf s ARG 79 Cb -0.11 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1hcf s ARG 79 CO 0.29 -0.23 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 1hcf n GLY 80 N 2.81 1.02 3.77 8.12 0.00 -1.26 -4.64 105.19 115.00 1hcf n GLY 80 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1hcf n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hcf s VAL 81 N -3.37 4.19 -0.68 1.61 1.01 -1.23 -4.98 120.40 116.95 1hcf s VAL 81 Ca 0.00 1.91 -0.27 0.00 0.00 0.00 0.00 61.98 63.61 1hcf s VAL 81 Cb 0.00 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1hcf s VAL 81 CO 0.00 0.43 1.33 -0.62 0.00 0.00 0.00 175.10 176.24 1hcf s ASP 82 N -1.27 6.13 0.35 3.32 -1.08 -1.26 -4.85 116.67 117.99 1hcf s ASP 82 Ca 0.41 -0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.49 1hcf s ASP 82 Cb -0.23 -2.55 1.21 0.00 -1.46 0.00 0.00 42.92 39.88 1hcf s ASP 82 CO 0.29 -1.81 1.77 0.03 0.52 0.00 0.00 175.17 175.96 1hcf h ARG 83 N 10.49 0.00 0.00 4.34 3.08 -1.94 -0.53 114.38 129.81 1hcf h ARG 83 Ca -0.27 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 1hcf h ARG 83 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1hcf h ARG 83 CO 1.25 0.00 -0.21 0.00 -1.07 0.00 0.00 179.97 179.94 1hcf h ARG 84 N 0.00 0.00 0.00 0.04 3.08 -2.00 -3.31 114.38 112.19 1hcf h ARG 84 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1hcf h ARG 84 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1hcf h ARG 84 CO 0.00 0.21 -0.19 0.72 -1.07 0.00 0.00 179.97 179.64 1hcf n HIS 85 N -4.06 0.00 -4.14 3.04 8.25 -0.91 -4.41 115.22 112.99 1hcf n HIS 85 Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 1hcf n HIS 85 Cb 0.28 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 1hcf n HIS 85 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1hcf s TRP 86 N -0.89 0.97 -0.20 4.41 0.52 -0.26 -0.92 118.94 122.56 1hcf s TRP 86 Ca 0.00 -0.56 -0.00 0.00 0.02 0.00 0.00 56.10 55.56 1hcf s TRP 86 Cb 0.00 -0.55 0.02 0.00 -1.15 0.00 0.00 33.47 31.79 1hcf s TRP 86 CO 0.00 -0.02 -0.14 0.08 0.02 0.00 0.00 176.95 176.89 1hcf s VAL 87 N -1.80 2.48 0.37 4.03 1.01 -0.25 -4.18 120.40 122.06 1hcf s VAL 87 Ca -0.02 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1hcf s VAL 87 Cb -0.07 -2.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.12 1hcf s VAL 87 CO 0.01 0.43 -0.01 -0.94 0.00 0.00 0.00 175.10 174.58 1hcf s SER 88 N 1.33 3.93 -0.18 3.32 1.04 -1.26 -1.36 113.70 120.51 1hcf s SER 88 Ca 0.04 -1.20 -0.14 0.00 0.48 0.00 0.00 55.95 55.12 1hcf s SER 88 Cb -0.14 -0.41 0.05 0.00 0.10 0.00 0.00 66.02 65.62 1hcf s SER 88 CO -0.09 -0.32 0.47 -0.70 0.98 0.00 0.00 173.24 173.58 1hcf s GLU 89 N -3.69 0.51 -0.17 4.02 2.12 -0.89 -4.04 118.70 116.56 1hcf s GLU 89 Ca 0.35 0.75 -0.24 0.00 0.36 0.00 0.00 54.97 56.18 1hcf s GLU 89 Cb 0.05 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 1hcf s GLU 89 CO 0.18 -0.10 0.79 0.00 -0.54 0.00 0.00 175.26 175.59 1hcf s LYS 91 N 2.05 1.38 0.37 0.00 1.02 0.13 -3.09 119.74 121.60 1hcf s LYS 91 Ca 0.37 -1.63 -0.24 0.00 0.02 0.00 0.00 55.97 54.48 1hcf s LYS 91 Cb -0.16 -1.13 -0.10 0.00 -0.52 0.00 0.00 37.83 35.91 1hcf s LYS 91 CO 0.12 0.16 0.96 0.00 -0.92 0.00 0.00 175.35 175.67 1hcf s ALA 92 N -2.98 3.14 -0.10 5.17 0.00 -1.26 0.33 121.76 126.07 1hcf s ALA 92 Ca 0.24 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1hcf s ALA 92 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1hcf s ALA 92 CO 0.08 0.12 -0.23 0.21 0.00 0.00 0.00 175.76 175.94 1hcf s LYS 93 N -2.47 2.94 0.23 0.00 2.36 0.11 -4.80 119.74 118.10 1hcf s LYS 93 Ca 0.55 -0.84 0.08 0.00 -2.55 0.00 0.00 55.97 53.21 1hcf s LYS 93 Cb -0.16 -2.23 -0.04 0.00 -1.05 0.00 0.00 37.83 34.35 1hcf s LYS 93 CO 0.21 0.16 0.05 -0.65 1.55 0.00 0.00 175.35 176.67 1hcf s GLN 94 N 0.38 2.52 0.30 4.03 -0.21 -1.26 -1.38 119.66 124.04 1hcf s GLN 94 Ca -0.18 -1.19 -0.01 0.00 0.02 0.00 0.00 55.36 53.99 1hcf s GLN 94 Cb -0.18 -2.35 -0.01 0.00 1.00 0.00 0.00 33.01 31.47 1hcf s GLN 94 CO 0.08 0.41 0.36 -1.54 -2.12 0.00 0.00 175.29 172.49 1hcf s SER 95 N -3.43 0.87 -0.00 5.90 1.04 -0.90 -4.89 113.70 112.28 1hcf s SER 95 Ca 0.30 -1.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.25 1hcf s SER 95 Cb -0.08 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1hcf s SER 95 CO 0.21 -1.14 0.11 -0.31 0.98 0.00 0.00 173.24 173.09 1hcf s TYR 96 N -3.46 3.35 0.00 5.02 2.02 -1.26 -1.88 117.35 121.15 1hcf s TYR 96 Ca 0.34 0.24 -0.00 0.00 -0.37 0.00 0.00 57.07 57.28 1hcf s TYR 96 Cb 0.02 -1.76 -0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1hcf s TYR 96 CO 0.20 0.58 -0.00 0.14 -1.57 0.00 0.00 175.55 174.89 1hcf s VAL 97 N -1.23 0.02 0.09 0.71 -7.23 -0.57 -4.94 120.40 107.24 1hcf s VAL 97 Ca 0.24 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.95 1hcf s VAL 97 Cb -0.12 -0.06 -0.06 0.00 0.56 0.00 0.00 36.38 36.71 1hcf s VAL 97 CO 0.15 -0.09 1.05 -0.60 -0.31 0.00 0.00 175.10 175.31 1hcf s ARG 98 N -0.25 4.58 0.02 4.82 3.52 -1.26 -1.68 118.95 128.69 1hcf s ARG 98 Ca -0.03 1.59 0.00 0.00 -0.13 0.00 0.00 55.73 57.16 1hcf s ARG 98 Cb -0.02 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 1hcf s ARG 98 CO -0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 175.30 174.48 1hcf s ALA 99 N 0.39 0.13 -0.23 6.12 0.00 0.19 -4.88 121.76 123.49 1hcf s ALA 99 Ca 0.51 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 1hcf s ALA 99 Cb -0.26 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1hcf s ALA 99 CO 0.31 -0.10 1.43 -1.17 0.00 0.00 0.00 175.76 176.23 1hcf s LEU 100 N -1.05 3.97 0.33 0.00 2.96 -1.26 0.18 118.68 123.81 1hcf s LEU 100 Ca -0.11 1.51 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 1hcf s LEU 100 Cb -0.07 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1hcf s LEU 100 CO -0.01 -1.08 0.19 0.42 -1.32 0.00 0.00 176.35 174.55 1hcf s THR 101 N 4.51 0.28 -0.03 3.68 -4.23 0.02 -2.23 115.64 117.63 1hcf s THR 101 Ca 0.63 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1hcf s THR 101 Cb -0.22 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.17 1hcf s THR 101 CO 0.24 0.00 -0.04 0.00 -0.54 0.00 0.00 174.62 174.29 1hcf s ALA 102 N -3.50 0.55 0.77 3.99 0.00 -0.09 -1.10 121.76 122.37 1hcf s ALA 102 Ca 0.35 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 1hcf s ALA 102 Cb 0.04 -0.33 0.11 0.00 0.00 0.00 0.00 23.12 22.94 1hcf s ALA 102 CO 0.20 0.01 0.72 -0.40 0.00 0.00 0.00 175.76 176.29 1hcf n ASP 103 N 3.82 0.55 0.24 0.00 3.85 -0.98 -0.32 116.55 123.71 1hcf n ASP 103 Ca -0.23 -1.56 0.14 0.00 -0.71 0.00 0.00 54.79 52.42 1hcf n ASP 103 Cb 0.52 -0.51 0.80 0.00 -1.35 0.00 0.00 41.12 40.58 1hcf n ASP 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1hcf h ALA 104 N -1.08 1.80 -0.07 2.12 0.00 -1.93 0.56 119.26 120.67 1hcf h ALA 104 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1hcf h ALA 104 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1hcf h ALA 104 CO 0.21 -0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1hcf n GLN 105 N -4.08 1.65 -0.20 0.00 1.13 -1.26 -4.92 117.38 109.70 1hcf n GLN 105 Ca -0.01 -0.95 0.00 0.00 -1.94 0.00 0.00 57.00 54.10 1hcf n GLN 105 Cb 0.18 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1hcf n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1hcf n GLY 106 N 1.14 2.28 3.68 1.08 0.00 0.20 -4.99 105.19 108.58 1hcf n GLY 106 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 1hcf n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hcf n ARG 107 N -2.00 2.37 -3.06 1.61 1.74 -1.26 -4.47 116.66 111.58 1hcf n ARG 107 Ca 0.00 0.87 -0.35 0.00 -0.77 0.00 0.00 57.85 57.59 1hcf n ARG 107 Cb 0.00 -2.72 -0.06 0.00 -1.02 0.00 0.00 32.46 28.66 1hcf n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hcf s VAL 108 N 3.30 4.54 0.00 1.55 1.01 -1.26 -2.31 120.40 127.23 1hcf s VAL 108 Ca 0.88 1.29 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1hcf s VAL 108 Cb -0.62 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1hcf s VAL 108 CO 0.45 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1hcf n GLY 109 N 0.47 2.16 3.74 4.51 0.00 -0.26 -4.98 105.19 110.85 1hcf n GLY 109 Ca -0.01 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1hcf n GLY 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1hcf s TRP 110 N -2.00 3.23 0.02 1.61 0.52 -1.26 -0.80 118.94 120.26 1hcf s TRP 110 Ca 0.00 1.26 -0.05 0.00 0.02 0.00 0.00 56.10 57.32 1hcf s TRP 110 Cb 0.00 -3.61 -0.01 0.00 -1.15 0.00 0.00 33.47 28.70 1hcf s TRP 110 CO 0.00 -1.86 0.09 1.03 0.02 0.00 0.00 176.95 176.23 1hcf s ARG 111 N -0.41 0.49 -0.36 4.98 0.52 0.13 -4.88 118.95 119.42 1hcf s ARG 111 Ca 0.55 -0.56 -0.26 0.00 -0.52 0.00 0.00 55.73 54.95 1hcf s ARG 111 Cb -0.37 0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.31 1hcf s ARG 111 CO 0.40 -0.11 0.92 -1.58 0.02 0.00 0.00 175.30 174.95 1hcf s TRP 112 N -1.81 3.10 0.15 -0.53 0.52 -1.26 0.58 118.94 119.68 1hcf s TRP 112 Ca -0.12 0.80 0.11 0.00 0.02 0.00 0.00 56.10 56.91 1hcf s TRP 112 Cb -0.06 -3.59 -0.04 0.00 -1.15 0.00 0.00 33.47 28.63 1hcf s TRP 112 CO -0.01 -0.79 -0.23 0.96 0.02 0.00 0.00 176.95 176.90 1hcf s ILE 113 N 3.41 2.46 0.05 2.03 -4.36 -0.68 -2.07 121.20 122.05 1hcf s ILE 113 Ca 0.38 -1.78 -0.18 0.00 -0.26 0.00 0.00 60.65 58.80 1hcf s ILE 113 Cb -0.12 -2.13 -0.06 0.00 1.25 0.00 0.00 42.46 41.39 1hcf s ILE 113 CO 0.18 0.02 0.53 0.00 0.24 0.00 0.00 174.94 175.91 1hcf s ARG 114 N -2.31 4.15 0.11 0.37 1.70 -0.65 -1.52 118.95 120.81 1hcf s ARG 114 Ca 0.17 0.66 -0.03 0.00 -0.47 0.00 0.00 55.73 56.07 1hcf s ARG 114 Cb -0.09 -3.25 -0.03 0.00 -0.57 0.00 0.00 34.95 31.01 1hcf s ARG 114 CO 0.08 0.62 0.07 0.96 -1.08 0.00 0.00 175.30 175.96 1hcf s ILE 115 N -1.01 0.13 -0.14 4.99 -4.36 -0.78 -4.60 121.20 115.43 1hcf s ILE 115 Ca 0.28 -1.77 -0.29 0.00 -0.26 0.00 0.00 60.65 58.61 1hcf s ILE 115 Cb -0.19 -1.83 -0.01 0.00 1.25 0.00 0.00 42.46 41.68 1hcf s ILE 115 CO 0.17 -0.60 0.98 -1.81 0.24 0.00 0.00 174.94 173.92 1hcf s ASP 116 N -2.99 7.16 0.00 4.36 1.01 -1.26 -2.12 116.67 122.83 1hcf s ASP 116 Ca 0.17 1.43 0.00 0.00 0.71 0.00 0.00 52.55 54.87 1hcf s ASP 116 Cb 0.07 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1hcf s ASP 116 CO -0.02 -0.47 0.54 0.35 0.21 0.00 0.00 175.17 175.78 1hcf n THR 117 N 4.70 0.19 -3.60 -1.27 -2.24 -0.48 -0.57 114.28 111.02 1hcf n THR 117 Ca 0.08 -0.53 -0.03 0.00 -2.27 0.00 0.00 64.05 61.30 1hcf n THR 117 Cb 0.48 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 1hcf n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hcf s ALA 118 N -0.19 -2.06 -0.18 6.98 0.00 -1.10 -4.64 121.76 120.58 1hcf s ALA 118 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1hcf s ALA 118 Cb 0.00 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1hcf s ALA 118 CO 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 175.76 174.85 1hcf s VAL 120 N 1.18 1.80 -0.12 0.00 -7.23 0.15 -4.80 120.40 111.39 1hcf s VAL 120 Ca 0.02 -2.19 -0.10 0.00 -1.81 0.00 0.00 61.98 57.90 1hcf s VAL 120 Cb -0.14 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1hcf s VAL 120 CO -0.08 -0.39 0.22 0.00 -0.31 0.00 0.00 175.10 174.53 1hcf s THR 122 N -0.53 2.20 0.34 0.00 -4.23 -0.42 -4.97 115.64 108.04 1hcf s THR 122 Ca 0.16 -1.92 0.09 0.00 -1.18 0.00 0.00 61.69 58.84 1hcf s THR 122 Cb -0.13 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1hcf s THR 122 CO 0.05 -0.10 0.07 -0.76 -0.54 0.00 0.00 174.62 173.34 1hcf s LEU 123 N -2.47 3.09 -0.29 4.79 1.43 -1.26 -2.09 118.68 121.88 1hcf s LEU 123 Ca 0.17 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1hcf s LEU 123 Cb -0.08 -1.50 0.18 0.00 0.03 0.00 0.00 46.19 44.82 1hcf s LEU 123 CO 0.08 -0.28 0.56 -0.76 0.23 0.00 0.00 176.35 176.18 1hcf s LEU 124 N -3.78 -1.25 0.80 1.79 1.43 -0.47 -4.97 118.68 112.24 1hcf s LEU 124 Ca 0.36 0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.05 1hcf s LEU 124 Cb -0.01 1.96 0.04 0.00 0.03 0.00 0.00 46.19 48.21 1hcf s LEU 124 CO 0.21 -0.27 0.95 -0.24 0.23 0.00 0.00 176.35 177.23 1hcf n SER 125 N 5.42 0.18 0.00 2.29 2.88 -1.26 -1.09 113.62 122.03 1hcf n SER 125 Ca -0.01 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1hcf n SER 125 Cb 0.51 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1hcf n SER 125 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1hcf n ARG 126 N -2.40 0.00 -0.72 -1.46 0.63 -0.10 -4.78 116.66 107.82 1hcf n ARG 126 Ca 0.12 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.79 1hcf n ARG 126 Cb 0.50 -0.08 0.11 0.00 0.45 0.00 0.00 32.46 33.45 1hcf n ARG 126 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1hcf n THR 127 N 0.00 0.00 0.12 5.15 -1.04 -1.01 -4.87 114.28 112.63 1hcf n THR 127 Ca 0.00 -0.10 0.01 0.00 -2.04 0.00 0.00 64.05 61.92 1hcf n THR 127 Cb 0.20 -0.34 0.01 0.00 -1.82 0.00 0.00 70.33 68.38 1hcf n THR 127 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04