#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1k s LYS 21 N 0.00 4.27 0.00 2.12 2.20 -1.26 -4.88 119.74 122.20 1y1k s LYS 21 Ca 0.00 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.47 1y1k s LYS 21 Cb 0.00 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1y1k s LYS 21 CO 0.00 -0.61 0.38 0.25 -0.36 0.00 0.00 175.35 175.01 1y1k n THR 22 N 4.90 0.00 -3.88 3.43 -2.24 -1.26 -4.99 114.28 110.24 1y1k n THR 22 Ca 0.13 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1y1k n THR 22 Cb 0.44 1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 69.80 1y1k n THR 22 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1y1k s GLU 23 N -0.00 0.30 -0.53 -0.78 2.02 -1.26 -0.97 118.70 117.48 1y1k s GLU 23 Ca 0.00 -0.21 0.07 0.00 0.02 0.00 0.00 54.97 54.85 1y1k s GLU 23 Cb 0.00 0.12 0.29 0.00 0.10 0.00 0.00 34.13 34.64 1y1k s GLU 23 CO 0.00 -0.06 0.76 0.91 0.02 0.00 0.00 175.26 176.89 1y1k n TRP 24 N 2.15 2.46 0.28 1.61 8.01 -0.06 -4.94 117.44 126.95 1y1k n TRP 24 Ca -0.19 -3.95 0.13 0.00 -1.31 0.00 0.00 57.50 52.18 1y1k n TRP 24 Cb 0.57 -0.48 0.81 0.00 -2.01 0.00 0.00 31.31 30.20 1y1k n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1y1k h PRO 25 N 3.63 0.00 0.00 -0.99 0.13 -1.94 -0.96 132.00 131.86 1y1k h PRO 25 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1y1k h PRO 25 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1y1k h PRO 25 CO 0.71 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.65 1y1k n GLU 26 N -4.01 0.16 0.01 0.86 0.00 -1.26 -2.32 120.64 114.08 1y1k n GLU 26 Ca -0.03 0.54 0.12 0.00 0.00 0.00 0.00 57.16 57.80 1y1k n GLU 26 Cb 0.11 -1.92 0.30 0.00 0.00 0.00 0.00 31.44 29.94 1y1k n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1y1k n LEU 27 N -2.24 0.46 -4.73 -1.84 4.77 -0.37 -4.83 117.00 108.22 1y1k n LEU 27 Ca 0.00 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1y1k n LEU 27 Cb 0.12 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1y1k n LEU 27 CO 0.14 0.06 1.31 -0.69 -1.33 0.00 0.00 177.39 176.88 1y1k s VAL 28 N -3.04 2.19 0.00 4.08 1.01 -0.98 -1.72 120.40 121.94 1y1k s VAL 28 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1y1k s VAL 28 Cb 0.17 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1y1k s VAL 28 CO 0.67 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1y1k n GLY 29 N 3.55 1.60 3.92 4.51 0.00 0.25 -4.97 105.19 114.04 1y1k n GLY 29 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1y1k n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1k s LYS 30 N -0.40 2.51 0.59 1.61 -0.14 -0.70 -4.72 119.74 118.50 1y1k s LYS 30 Ca 0.00 -0.04 -0.18 0.00 -1.36 0.00 0.00 55.97 54.40 1y1k s LYS 30 Cb 0.00 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.95 1y1k s LYS 30 CO 0.00 -1.06 1.15 -1.54 -0.76 0.00 0.00 175.35 173.14 1y1k s SER 31 N -4.43 5.36 0.43 2.83 1.04 -1.26 -0.24 113.70 117.44 1y1k s SER 31 Ca 0.58 2.19 0.09 0.00 0.48 0.00 0.00 55.95 59.30 1y1k s SER 31 Cb -0.11 -2.58 0.95 0.00 0.10 0.00 0.00 66.02 64.39 1y1k s SER 31 CO 0.46 -1.47 2.07 1.62 0.98 0.00 0.00 173.24 176.91 1y1k h VAL 32 N 0.76 1.08 -0.25 5.02 3.04 -1.62 -1.77 116.25 122.51 1y1k h VAL 32 Ca -0.49 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.00 1y1k h VAL 32 Cb 1.27 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1y1k h VAL 32 CO 0.55 0.09 0.08 -0.33 -1.01 0.00 0.00 177.57 176.95 1y1k h GLU 33 N 0.40 0.39 -0.54 4.17 3.07 -1.91 -1.12 114.58 119.05 1y1k h GLU 33 Ca 0.11 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 1y1k h GLU 33 Cb -0.02 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1y1k h GLU 33 CO -0.02 0.46 -0.01 1.49 -1.40 0.00 0.00 179.01 179.53 1y1k h GLU 34 N 0.25 0.95 -0.67 2.33 4.81 -1.86 -1.96 114.58 118.43 1y1k h GLU 34 Ca 0.08 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1y1k h GLU 34 Cb 0.23 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1y1k h GLU 34 CO -0.00 0.97 0.38 0.00 -0.73 0.00 0.00 179.01 179.63 1y1k h ALA 35 N 0.95 0.89 -0.42 2.92 0.00 -1.19 -0.92 119.26 121.50 1y1k h ALA 35 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1y1k h ALA 35 Cb 0.54 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1y1k h ALA 35 CO 0.03 0.08 0.24 0.87 0.00 0.00 0.00 179.25 180.47 1y1k h LYS 36 N 0.72 0.57 -0.23 0.00 1.57 -0.97 -0.35 116.57 117.88 1y1k h LYS 36 Ca 0.29 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1y1k h LYS 36 Cb 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1y1k h LYS 36 CO -0.16 0.45 0.09 -0.22 -0.57 0.00 0.00 179.45 179.03 1y1k h LYS 37 N 0.54 0.20 -0.22 3.15 3.64 -0.83 -1.25 116.57 121.79 1y1k h LYS 37 Ca 0.15 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1y1k h LYS 37 Cb 0.03 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1y1k h LYS 37 CO -0.03 0.13 0.01 0.28 -2.27 0.00 0.00 179.45 177.58 1y1k h VAL 38 N 0.21 1.24 -0.60 2.00 2.07 -1.02 -2.27 116.25 117.88 1y1k h VAL 38 Ca 0.10 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1y1k h VAL 38 Cb 0.05 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1y1k h VAL 38 CO -0.09 0.26 0.40 0.40 0.02 0.00 0.00 177.57 178.56 1y1k h ILE 39 N 0.17 1.15 0.00 4.57 2.04 -0.95 -1.92 117.51 122.56 1y1k h ILE 39 Ca 0.07 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1y1k h ILE 39 Cb 0.37 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1y1k h ILE 39 CO 0.01 0.15 -0.06 -0.07 0.00 0.00 0.00 178.15 178.17 1y1k h LEU 40 N 0.81 0.00 -0.35 1.44 3.38 -1.12 0.14 115.31 119.60 1y1k h LEU 40 Ca 0.22 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 1y1k h LEU 40 Cb -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1y1k h LEU 40 CO -0.05 0.06 -0.55 1.56 0.09 0.00 0.00 178.44 179.55 1y1k h GLN 41 N 0.00 0.80 0.00 1.13 4.20 -0.75 -2.70 115.11 117.79 1y1k h GLN 41 Ca -0.00 -0.51 -0.21 0.00 0.06 0.00 0.00 58.65 57.99 1y1k h GLN 41 Cb 0.41 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1y1k h GLN 41 CO 0.01 1.14 -0.99 -0.44 -0.67 0.00 0.00 178.83 177.87 1y1k h ASP 42 N 0.61 0.02 -1.85 1.46 3.32 -0.94 -3.41 116.42 115.63 1y1k h ASP 42 Ca 0.01 -0.02 -0.49 0.00 0.02 0.00 0.00 57.03 56.55 1y1k h ASP 42 Cb 1.15 -0.01 -0.34 0.00 0.22 0.00 0.00 39.33 40.35 1y1k h ASP 42 CO 0.12 1.00 -0.93 1.17 -1.72 0.00 0.00 179.24 178.88 1y1k n LYS 43 N -3.38 0.47 0.29 3.56 4.81 0.42 -4.97 118.16 119.37 1y1k n LYS 43 Ca -0.00 -2.92 0.20 0.00 -0.87 0.00 0.00 58.31 54.71 1y1k n LYS 43 Cb 0.93 -1.46 1.02 0.00 0.02 0.00 0.00 35.03 35.54 1y1k n LYS 43 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1y1k h PRO 44 N 4.81 0.00 -0.37 1.64 0.11 -1.69 -1.28 132.00 135.22 1y1k h PRO 44 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1y1k h PRO 44 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1y1k h PRO 44 CO 0.36 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.15 1y1k n ALA 45 N -2.02 2.45 -1.73 -0.75 0.00 -1.26 -4.97 120.51 112.23 1y1k n ALA 45 Ca -0.02 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.19 1y1k n ALA 45 Cb 0.10 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1y1k n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y1k n ALA 46 N 0.93 1.98 -2.88 0.00 0.00 -0.48 -4.95 120.51 115.11 1y1k n ALA 46 Ca 0.17 0.37 -0.44 0.00 0.00 0.00 0.00 53.44 53.54 1y1k n ALA 46 Cb 0.45 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 1y1k n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y1k s GLN 47 N -1.11 3.07 -0.19 0.00 -0.21 0.89 -4.95 119.66 117.16 1y1k s GLN 47 Ca 0.61 -1.11 -0.13 0.00 0.02 0.00 0.00 55.36 54.75 1y1k s GLN 47 Cb -0.54 -4.15 -0.05 0.00 1.00 0.00 0.00 33.01 29.28 1y1k s GLN 47 CO 0.55 -1.25 0.24 0.42 -2.12 0.00 0.00 175.29 173.13 1y1k s ILE 48 N 2.39 5.32 -0.07 1.08 1.01 -1.26 -1.52 121.20 128.16 1y1k s ILE 48 Ca 0.12 0.41 0.04 0.00 0.00 0.00 0.00 60.65 61.21 1y1k s ILE 48 Cb -0.22 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1y1k s ILE 48 CO 0.09 0.37 -0.19 -0.63 0.00 0.00 0.00 174.94 174.58 1y1k s ILE 49 N 0.72 1.66 -0.21 2.92 1.09 -0.96 -5.00 121.20 121.42 1y1k s ILE 49 Ca 0.13 -0.81 -0.09 0.00 -1.10 0.00 0.00 60.65 58.77 1y1k s ILE 49 Cb -0.13 -1.44 -0.05 0.00 -1.06 0.00 0.00 42.46 39.79 1y1k s ILE 49 CO 0.03 0.47 0.11 -0.69 -0.10 0.00 0.00 174.94 174.77 1y1k s VAL 50 N 0.24 5.14 0.06 2.92 1.01 -1.26 -0.57 120.40 127.94 1y1k s VAL 50 Ca -0.11 0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1y1k s VAL 50 Cb -0.15 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1y1k s VAL 50 CO 0.05 0.42 -0.07 -0.76 0.00 0.00 0.00 175.10 174.73 1y1k s LEU 51 N 0.62 2.35 0.30 3.92 1.43 0.04 -4.97 118.68 122.37 1y1k s LEU 51 Ca 0.06 -0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 1y1k s LEU 51 Cb -0.12 -0.12 -0.10 0.00 0.03 0.00 0.00 46.19 45.87 1y1k s LEU 51 CO 0.01 -0.31 1.32 -2.84 0.23 0.00 0.00 176.35 174.76 1y1k s PRO 52 N -2.44 4.36 0.49 1.29 0.02 -1.26 -0.82 135.00 136.63 1y1k s PRO 52 Ca -0.02 2.19 -0.23 0.00 0.02 0.00 0.00 61.00 62.96 1y1k s PRO 52 Cb -0.04 -3.10 -0.07 0.00 0.02 0.00 0.00 34.50 31.32 1y1k s PRO 52 CO -0.02 -0.22 1.35 0.54 -0.33 0.00 0.00 177.00 178.33 1y1k s VAL 53 N -0.80 2.25 0.00 3.83 0.11 0.30 -2.92 120.40 123.16 1y1k s VAL 53 Ca 0.51 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 1y1k s VAL 53 Cb -0.39 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1y1k s VAL 53 CO 0.49 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 1y1k n GLY 54 N 0.64 0.39 3.97 6.54 0.00 -1.26 -4.98 105.19 110.49 1y1k n GLY 54 Ca 0.08 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 1y1k n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y1k s THR 55 N -2.00 4.14 -0.07 2.61 -4.23 -1.15 -5.11 115.64 109.83 1y1k s THR 55 Ca 0.00 -0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 1y1k s THR 55 Cb 0.00 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1y1k s THR 55 CO 0.00 -0.24 0.16 -0.63 -0.54 0.00 0.00 174.62 173.36 1y1k s ILE 56 N -2.32 5.48 0.15 2.99 1.01 -1.26 -5.10 121.20 122.14 1y1k s ILE 56 Ca 0.46 0.06 0.05 0.00 0.00 0.00 0.00 60.65 61.21 1y1k s ILE 56 Cb -0.10 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1y1k s ILE 56 CO 0.34 0.50 -0.11 0.68 0.00 0.00 0.00 174.94 176.34 1y1k s VAL 57 N -1.15 1.24 0.53 2.92 -7.23 -1.26 -5.14 120.40 110.31 1y1k s VAL 57 Ca 0.20 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 1y1k s VAL 57 Cb -0.12 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 1y1k s VAL 57 CO 0.10 -0.67 1.38 0.00 -0.31 0.00 0.00 175.10 175.60 1y1k s ALA 58 N -3.06 2.90 -0.66 1.32 0.00 -1.26 -4.95 121.76 116.04 1y1k s ALA 58 Ca 0.15 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 1y1k s ALA 58 Cb 0.01 -3.58 0.45 0.00 0.00 0.00 0.00 23.12 20.00 1y1k s ALA 58 CO 0.02 -1.37 2.03 -1.33 0.00 0.00 0.00 175.76 175.10 1y1k n MET 59 N -0.89 2.69 -3.04 0.00 2.81 -1.26 -4.97 117.12 112.46 1y1k n MET 59 Ca 0.09 -3.30 -0.29 0.00 -1.81 0.00 0.00 57.70 52.39 1y1k n MET 59 Cb 0.44 -2.29 -0.03 0.00 -0.71 0.00 0.00 33.22 30.63 1y1k n MET 59 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1y1k s GLU 60 N -3.82 3.71 -0.24 0.03 1.03 -1.26 -5.06 118.70 113.09 1y1k s GLU 60 Ca 0.65 0.27 -0.04 0.00 0.03 0.00 0.00 54.97 55.88 1y1k s GLU 60 Cb 0.51 -2.49 -0.00 0.00 -0.80 0.00 0.00 34.13 31.34 1y1k s GLU 60 CO -0.01 0.06 -0.01 -0.47 -1.33 0.00 0.00 175.26 173.50 1y1k s TYR 61 N -2.27 3.02 -0.25 4.83 5.04 -1.26 -5.02 117.35 121.44 1y1k s TYR 61 Ca 0.48 -0.95 0.02 0.00 -2.44 0.00 0.00 57.07 54.18 1y1k s TYR 61 Cb -0.10 -2.14 0.06 0.00 0.35 0.00 0.00 41.96 40.13 1y1k s TYR 61 CO 0.31 -0.55 -0.07 1.03 -1.34 0.00 0.00 175.55 174.93 1y1k s ARG 62 N 1.48 1.85 0.57 4.97 0.52 0.34 -5.01 118.95 123.68 1y1k s ARG 62 Ca 0.05 -1.16 0.26 0.00 -0.52 0.00 0.00 55.73 54.36 1y1k s ARG 62 Cb -0.15 -2.72 1.57 0.00 0.52 0.00 0.00 34.95 34.17 1y1k s ARG 62 CO -0.02 -0.60 2.10 0.97 0.02 0.00 0.00 175.30 177.77 1y1k h ILE 63 N 6.71 0.59 0.00 1.52 2.10 -1.95 -2.22 117.51 124.26 1y1k h ILE 63 Ca -0.18 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1y1k h ILE 63 Cb 1.06 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 1y1k h ILE 63 CO 0.44 0.00 -0.46 -0.90 -1.08 0.00 0.00 178.15 176.15 1y1k n ASP 64 N -4.01 0.46 -4.90 2.19 5.75 -1.26 -4.63 116.55 110.15 1y1k n ASP 64 Ca 0.02 -0.13 -0.34 0.00 -0.01 0.00 0.00 54.79 54.33 1y1k n ASP 64 Cb 0.32 0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 40.52 1y1k n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1y1k s ARG 65 N -3.02 3.47 -0.20 0.11 3.52 -0.85 -0.08 118.95 121.89 1y1k s ARG 65 Ca 0.11 -0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 55.45 1y1k s ARG 65 Cb 0.17 -3.11 0.06 0.00 -1.56 0.00 0.00 34.95 30.51 1y1k s ARG 65 CO 0.68 0.69 0.00 0.08 -0.81 0.00 0.00 175.30 175.95 1y1k s VAL 66 N -1.26 0.87 0.19 7.11 1.01 -0.57 -1.01 120.40 126.72 1y1k s VAL 66 Ca 0.25 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1y1k s VAL 66 Cb -0.13 -1.28 -0.08 0.00 0.00 0.00 0.00 36.38 34.89 1y1k s VAL 66 CO 0.15 -0.16 0.92 -0.13 0.00 0.00 0.00 175.10 175.89 1y1k s ARG 67 N 1.70 4.77 -0.26 2.72 0.52 -1.26 -2.26 118.95 124.88 1y1k s ARG 67 Ca -0.02 1.43 -0.02 0.00 -0.52 0.00 0.00 55.73 56.60 1y1k s ARG 67 Cb -0.18 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.02 1y1k s ARG 67 CO -0.07 0.43 -0.05 -0.51 0.02 0.00 0.00 175.30 175.11 1y1k s LEU 68 N -0.79 3.32 -0.30 2.53 1.43 0.27 -4.45 118.68 120.68 1y1k s LEU 68 Ca 0.42 -0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 1y1k s LEU 68 Cb -0.25 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1y1k s LEU 68 CO 0.30 -0.15 0.36 -0.36 0.23 0.00 0.00 176.35 176.74 1y1k s PHE 69 N 1.31 3.23 0.14 0.29 0.08 -1.26 -0.78 117.98 120.99 1y1k s PHE 69 Ca -0.01 0.23 0.06 0.00 0.12 0.00 0.00 56.93 57.33 1y1k s PHE 69 Cb -0.17 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.63 1y1k s PHE 69 CO -0.04 -0.31 0.01 0.14 -0.10 0.00 0.00 175.22 174.92 1y1k s VAL 70 N 2.05 3.88 0.83 -0.44 -7.23 -0.00 -0.85 120.40 118.64 1y1k s VAL 70 Ca 0.13 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.93 1y1k s VAL 70 Cb -0.16 -2.92 0.19 0.00 0.56 0.00 0.00 36.38 34.05 1y1k s VAL 70 CO 0.11 -0.03 1.13 -0.90 -0.31 0.00 0.00 175.10 175.10 1y1k n ASP 71 N 0.11 0.14 0.00 4.85 5.68 -0.22 -0.54 116.55 126.56 1y1k n ASP 71 Ca -0.10 -1.44 0.09 0.00 -0.50 0.00 0.00 54.79 52.84 1y1k n ASP 71 Cb 0.54 -0.86 0.39 0.00 -1.14 0.00 0.00 41.12 40.05 1y1k n ASP 71 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1y1k n ARG 72 N -3.38 0.00 0.00 0.11 1.85 -1.26 -1.78 116.66 112.20 1y1k n ARG 72 Ca 0.14 0.19 0.13 0.00 -1.00 0.00 0.00 57.85 57.31 1y1k n ARG 72 Cb 0.50 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.75 1y1k n ARG 72 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1y1k n LEU 73 N -1.50 1.00 -0.40 2.89 4.77 -1.26 -4.96 117.00 117.54 1y1k n LEU 73 Ca 0.04 -0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 55.73 1y1k n LEU 73 Cb 0.21 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1y1k n LEU 73 CO 0.17 0.19 -0.05 0.47 -1.33 0.00 0.00 177.39 176.85 1y1k n ASP 74 N -0.73 -2.03 -4.83 -1.43 9.92 -0.73 -5.02 116.55 111.69 1y1k n ASP 74 Ca 0.11 0.01 -0.30 0.00 -0.53 0.00 0.00 54.79 54.07 1y1k n ASP 74 Cb 0.35 -1.28 -0.05 0.00 -0.64 0.00 0.00 41.12 39.50 1y1k n ASP 74 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1y1k s ASN 75 N -2.85 5.86 0.14 -2.24 0.01 -1.26 -1.56 114.94 113.04 1y1k s ASN 75 Ca 0.00 0.10 -0.31 0.00 -0.71 0.00 0.00 52.86 51.93 1y1k s ASN 75 Cb 0.00 -1.67 -0.09 0.00 0.41 0.00 0.00 41.25 39.90 1y1k s ASN 75 CO 0.00 0.17 1.49 -0.63 -1.51 0.00 0.00 177.10 176.61 1y1k s ILE 76 N -1.45 2.95 -0.55 0.60 -1.09 0.67 -1.06 121.20 121.28 1y1k s ILE 76 Ca 0.32 0.68 0.05 0.00 -2.23 0.00 0.00 60.65 59.46 1y1k s ILE 76 Cb -0.12 -3.43 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1y1k s ILE 76 CO 0.24 0.05 0.55 0.00 -1.23 0.00 0.00 174.94 174.55 1y1k n ALA 77 N 4.02 2.52 -3.18 9.38 0.00 -0.03 -0.58 120.51 132.64 1y1k n ALA 77 Ca 0.13 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 1y1k n ALA 77 Cb 0.40 -0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 1y1k n ALA 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1y1k s GLN 78 N -0.70 0.48 -0.05 0.00 0.74 -1.24 -4.99 119.66 113.90 1y1k s GLN 78 Ca 0.05 0.02 -0.31 0.00 0.05 0.00 0.00 55.36 55.17 1y1k s GLN 78 Cb 0.04 0.22 -0.09 0.00 1.10 0.00 0.00 33.01 34.28 1y1k s GLN 78 CO 0.10 -0.11 2.00 0.28 -0.55 0.00 0.00 175.29 177.01 1y1k n VAL 79 N 2.03 0.63 -2.02 1.34 0.31 -1.26 -4.71 118.33 114.64 1y1k n VAL 79 Ca -0.18 -0.19 -0.41 0.00 -0.01 0.00 0.00 64.34 63.55 1y1k n VAL 79 Cb 0.57 -2.21 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 1y1k n VAL 79 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1y1k s PRO 80 N 4.74 4.28 0.08 5.55 0.02 -1.26 -4.90 135.00 143.51 1y1k s PRO 80 Ca 0.93 2.30 -0.07 0.00 0.02 0.00 0.00 61.00 64.18 1y1k s PRO 80 Cb -0.51 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 30.92 1y1k s PRO 80 CO 0.44 -0.35 0.14 -0.98 -0.33 0.00 0.00 177.00 175.92 1y1k s ARG 81 N -1.11 0.79 0.48 5.54 1.70 -1.26 -0.88 118.95 124.20 1y1k s ARG 81 Ca 0.55 -1.01 -0.22 0.00 -0.47 0.00 0.00 55.73 54.58 1y1k s ARG 81 Cb -0.42 0.31 -0.07 0.00 -0.57 0.00 0.00 34.95 34.20 1y1k s ARG 81 CO 0.49 -0.23 1.15 0.14 -1.08 0.00 0.00 175.30 175.78 1y1k s VAL 82 N -3.84 3.13 0.00 4.99 -7.23 -0.14 -4.14 120.40 113.17 1y1k s VAL 82 Ca 0.05 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 1y1k s VAL 82 Cb 0.05 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.60 1y1k s VAL 82 CO -0.11 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.25