#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hta n GLY 1 N 0.00 0.75 0.09 3.03 0.00 -1.26 -4.94 105.19 102.85 1hta n GLY 1 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1hta n GLY 1 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hta h GLU 2 N 0.00 0.09 -6.32 1.61 3.07 -1.99 -3.45 114.58 107.59 1hta h GLU 2 Ca -0.10 -0.14 -0.55 0.00 -0.50 0.00 0.00 59.36 58.07 1hta h GLU 2 Cb 0.34 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 1hta h GLU 2 CO 0.15 1.02 0.12 -0.51 -1.40 0.00 0.00 179.01 178.39 1hta s LEU 3 N -6.98 4.49 0.48 1.33 1.43 -1.26 -5.04 118.68 113.13 1hta s LEU 3 Ca -0.01 1.44 -0.21 0.00 -1.03 0.00 0.00 54.13 54.32 1hta s LEU 3 Cb 0.10 -3.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.07 1hta s LEU 3 CO 0.83 0.10 1.12 -2.16 0.23 0.00 0.00 176.35 176.48 1hta s PRO 4 N -0.46 3.68 0.13 1.29 0.04 -1.26 -4.97 135.00 133.44 1hta s PRO 4 Ca 0.36 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 1hta s PRO 4 Cb -0.21 -2.24 -0.12 0.00 0.04 0.00 0.00 34.50 31.97 1hta s PRO 4 CO 0.23 -0.58 1.29 -0.84 0.04 0.00 0.00 177.00 177.13 1hta h ILE 5 N 1.64 1.49 -0.53 0.56 3.07 -1.96 -3.33 117.51 118.45 1hta h ILE 5 Ca -0.49 -2.75 -0.01 0.00 1.55 0.00 0.00 64.86 63.16 1hta h ILE 5 Cb 1.24 2.61 -0.03 0.00 -0.27 0.00 0.00 36.82 40.38 1hta h ILE 5 CO 0.59 0.81 0.31 0.00 -1.05 0.00 0.00 178.15 178.81 1hta h ALA 6 N 0.81 0.68 -0.71 0.16 0.00 -1.98 -1.90 119.26 116.32 1hta h ALA 6 Ca -0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1hta h ALA 6 Cb 1.67 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1hta h ALA 6 CO 0.16 0.17 0.47 -1.35 0.00 0.00 0.00 179.25 178.70 1hta h PRO 7 N 0.71 0.92 -0.64 0.00 0.11 -2.00 -2.32 132.00 128.79 1hta h PRO 7 Ca 0.19 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1hta h PRO 7 Cb 0.01 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 30.88 1hta h PRO 7 CO -0.03 0.61 0.33 0.82 -0.21 0.00 0.00 178.00 179.52 1hta h ILE 8 N 0.95 1.20 -0.12 4.15 1.08 -1.46 -2.30 117.51 121.01 1hta h ILE 8 Ca 0.26 -0.53 -0.05 0.00 -0.39 0.00 0.00 64.86 64.15 1hta h ILE 8 Cb -0.10 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 1hta h ILE 8 CO -0.06 0.23 -0.14 1.23 -0.69 0.00 0.00 178.15 178.73 1hta h GLY 9 N 0.97 0.20 1.56 5.37 0.00 -1.16 -1.90 103.07 108.11 1hta h GLY 9 Ca 0.23 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1hta h GLY 9 CO -0.03 0.11 -0.10 3.21 0.00 0.00 0.00 176.54 179.73 1hta h ARG 10 N 0.18 0.54 -0.36 4.80 3.08 -1.26 0.55 114.38 121.91 1hta h ARG 10 Ca 0.04 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 59.96 1hta h ARG 10 Cb 0.36 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1hta h ARG 10 CO 0.02 0.64 0.18 0.82 -1.07 0.00 0.00 179.97 180.55 1hta h ILE 11 N 0.50 0.98 -0.22 2.04 2.04 -0.82 0.67 117.51 122.69 1hta h ILE 11 Ca 0.09 -0.12 -0.19 0.00 1.00 0.00 0.00 64.86 65.64 1hta h ILE 11 Cb 0.48 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1hta h ILE 11 CO 0.03 0.07 -0.60 0.40 0.00 0.00 0.00 178.15 178.04 1hta h ILE 12 N 0.36 1.29 -0.82 -0.67 2.04 -0.99 -2.27 117.51 116.44 1hta h ILE 12 Ca 0.15 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 1hta h ILE 12 Cb 0.06 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1hta h ILE 12 CO -0.11 0.58 0.50 0.11 0.00 0.00 0.00 178.15 179.23 1hta h LYS 13 N 0.54 1.11 0.00 2.37 6.56 -0.83 -2.69 116.57 123.63 1hta h LYS 13 Ca -0.01 -0.10 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 1hta h LYS 13 Cb 1.22 -0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 32.64 1hta h LYS 13 CO 0.13 0.77 -0.06 -0.91 -2.06 0.00 0.00 179.45 177.32 1hta h ASN 14 N 1.13 0.00 0.68 0.86 2.35 -0.73 -1.40 115.58 118.47 1hta h ASN 14 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1hta h ASN 14 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1hta h ASN 14 CO -0.06 0.06 -0.14 0.00 -1.65 0.00 0.00 177.43 175.64 1hta n ALA 15 N -2.13 2.73 0.00 -0.83 0.00 -0.87 -4.93 120.51 114.48 1hta n ALA 15 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1hta n ALA 15 Cb 0.34 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1hta n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hta n GLY 16 N 1.42 1.28 3.75 0.00 0.00 -0.53 -5.09 105.19 106.03 1hta n GLY 16 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1hta n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hta s ALA 17 N -1.97 3.43 -0.03 4.61 0.00 -1.09 -4.96 121.76 121.75 1hta s ALA 17 Ca 0.00 0.97 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 1hta s ALA 17 Cb 0.00 -3.38 -0.22 0.00 0.00 0.00 0.00 23.12 19.52 1hta s ALA 17 CO 0.00 -0.30 1.10 1.49 0.00 0.00 0.00 175.76 178.04 1hta h GLU 18 N 4.31 0.22 -4.39 0.00 4.81 -1.91 -3.42 114.58 114.20 1hta h GLU 18 Ca -0.46 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 58.33 1hta h GLU 18 Cb 1.21 0.05 -0.21 0.00 0.63 0.00 0.00 28.75 30.43 1hta h GLU 18 CO 0.70 0.89 -0.72 1.03 -0.73 0.00 0.00 179.01 180.17 1hta s ARG 19 N -3.37 0.47 -0.04 1.92 0.52 -1.26 -5.08 118.95 112.11 1hta s ARG 19 Ca -0.15 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1hta s ARG 19 Cb 0.02 -0.16 0.01 0.00 0.52 0.00 0.00 34.95 35.34 1hta s ARG 19 CO 0.75 0.02 -0.07 0.08 0.02 0.00 0.00 175.30 176.10 1hta s VAL 20 N -1.49 0.65 0.41 3.52 1.01 -1.26 -5.05 120.40 118.19 1hta s VAL 20 Ca -0.11 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1hta s VAL 20 Cb -0.09 -0.63 -0.10 0.00 0.00 0.00 0.00 36.38 35.55 1hta s VAL 20 CO -0.00 0.23 0.96 -0.94 0.00 0.00 0.00 175.10 175.35 1hta s SER 21 N 0.60 6.95 0.57 3.32 1.04 -1.26 -4.97 113.70 119.95 1hta s SER 21 Ca -0.09 1.76 0.32 0.00 0.48 0.00 0.00 55.95 58.42 1hta s SER 21 Cb -0.12 -2.55 1.72 0.00 0.10 0.00 0.00 66.02 65.17 1hta s SER 21 CO 0.01 -0.35 2.16 0.44 0.98 0.00 0.00 173.24 176.48 1hta h ASP 22 N 2.16 0.00 0.39 7.02 3.32 -2.01 -1.78 116.42 125.52 1hta h ASP 22 Ca -0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 1hta h ASP 22 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1hta h ASP 22 CO 0.62 0.06 -0.32 0.44 -1.72 0.00 0.00 179.24 178.31 1hta h ASP 23 N 0.00 0.00 0.59 6.45 3.32 -1.99 -1.73 116.42 123.05 1hta h ASP 23 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1hta h ASP 23 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1hta h ASP 23 CO 0.01 0.32 -1.16 0.00 -1.72 0.00 0.00 179.24 176.69 1hta h ALA 24 N 1.68 0.17 -0.55 3.45 0.00 -1.72 -1.62 119.26 120.67 1hta h ALA 24 Ca -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 1hta h ALA 24 Cb 0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1hta h ALA 24 CO 0.04 0.95 0.19 0.00 0.00 0.00 0.00 179.25 180.43 1hta h ARG 25 N 0.10 0.84 -0.56 0.00 3.08 -0.96 -1.41 114.38 115.47 1hta h ARG 25 Ca -0.12 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 1hta h ARG 25 Cb 1.87 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.77 1hta h ARG 25 CO 0.19 0.75 0.17 0.82 -1.07 0.00 0.00 179.97 180.83 1hta h ILE 26 N 0.76 1.24 -0.74 2.04 2.04 -1.29 -1.04 117.51 120.52 1hta h ILE 26 Ca 0.18 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1hta h ILE 26 Cb 0.24 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1hta h ILE 26 CO -0.01 0.30 0.47 0.00 0.00 0.00 0.00 178.15 178.92 1hta h ALA 27 N 1.04 0.94 -0.09 1.87 0.00 -1.08 -2.12 119.26 119.81 1hta h ALA 27 Ca 0.18 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 1hta h ALA 27 Cb 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hta h ALA 27 CO -0.00 0.37 -0.79 1.25 0.00 0.00 0.00 179.25 180.08 1hta h LEU 28 N 1.00 0.65 -1.00 0.00 5.85 -1.11 -2.63 115.31 118.06 1hta h LEU 28 Ca 0.27 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1hta h LEU 28 Cb -0.08 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.68 1hta h LEU 28 CO -0.06 1.21 0.64 0.00 -0.34 0.00 0.00 178.44 179.90 1hta h ALA 29 N 0.77 1.39 -0.42 1.25 0.00 -0.93 -1.23 119.26 120.09 1hta h ALA 29 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1hta h ALA 29 Cb 1.39 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1hta h ALA 29 CO 0.14 0.43 0.24 0.87 0.00 0.00 0.00 179.25 180.93 1hta h LYS 30 N 1.16 0.58 -0.47 0.00 1.57 -1.26 -0.09 116.57 118.07 1hta h LYS 30 Ca 0.43 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1hta h LYS 30 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1hta h LYS 30 CO -0.18 0.46 0.30 0.28 -0.57 0.00 0.00 179.45 179.74 1hta h VAL 31 N 0.55 1.13 -0.10 0.50 2.07 -1.09 -1.28 116.25 118.03 1hta h VAL 31 Ca 0.15 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 1hta h VAL 31 Cb 0.04 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1hta h VAL 31 CO -0.03 0.13 -0.59 -0.07 0.02 0.00 0.00 177.57 177.03 1hta h LEU 32 N 0.63 0.37 -0.62 2.57 3.38 -0.97 -1.58 115.31 119.10 1hta h LEU 32 Ca 0.17 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1hta h LEU 32 Cb -0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1hta h LEU 32 CO -0.04 0.88 -0.33 -0.33 0.09 0.00 0.00 178.44 178.71 1hta h GLU 33 N 0.25 0.72 -0.50 1.13 5.08 -0.80 -0.29 114.58 120.17 1hta h GLU 33 Ca -0.00 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1hta h GLU 33 Cb 1.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1hta h GLU 33 CO 0.10 0.95 0.13 1.49 -1.00 0.00 0.00 179.01 180.68 1hta h GLU 34 N 0.60 0.79 -0.55 2.33 4.81 -0.98 -0.86 114.58 120.72 1hta h GLU 34 Ca 0.06 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1hta h GLU 34 Cb 0.86 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1hta h GLU 34 CO 0.07 0.76 0.00 0.52 -0.73 0.00 0.00 179.01 179.64 1hta h MET 35 N 0.68 0.96 -0.53 1.92 2.86 -1.20 -1.56 114.93 118.06 1hta h MET 35 Ca 0.16 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1hta h MET 35 Cb 0.31 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1hta h MET 35 CO -0.00 0.97 0.30 0.78 1.06 0.00 0.00 176.91 180.02 1hta h GLY 36 N 0.84 0.79 1.00 8.32 0.00 -0.92 -1.37 103.07 111.74 1hta h GLY 36 Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1hta h GLY 36 CO 0.03 0.34 0.28 -2.09 0.00 0.00 0.00 176.54 175.10 1hta h GLU 37 N 0.72 0.92 -0.36 4.80 4.22 -0.81 -0.01 114.58 124.06 1hta h GLU 37 Ca 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 59.46 1hta h GLU 37 Cb 0.04 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1hta h GLU 37 CO -0.03 0.76 0.16 0.93 -2.18 0.00 0.00 179.01 178.65 1hta h GLU 38 N 0.87 0.54 -0.19 1.92 5.08 -0.93 0.34 114.58 122.21 1hta h GLU 38 Ca 0.21 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1hta h GLU 38 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1hta h GLU 38 CO -0.02 0.51 0.02 0.82 -1.00 0.00 0.00 179.01 179.33 1hta h ILE 39 N 0.44 1.24 -0.15 3.13 2.04 -1.20 -2.68 117.51 120.32 1hta h ILE 39 Ca 0.12 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1hta h ILE 39 Cb 0.16 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1hta h ILE 39 CO -0.01 0.24 -0.19 0.00 0.00 0.00 0.00 178.15 178.19 1hta h ALA 40 N 0.81 1.40 -0.44 1.87 0.00 -0.86 -1.09 119.26 120.95 1hta h ALA 40 Ca 0.06 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1hta h ALA 40 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1hta h ALA 40 CO 0.01 0.41 -0.16 1.03 0.00 0.00 0.00 179.25 180.53 1hta h SER 41 N 0.24 0.85 -0.64 0.00 0.87 -0.74 -1.02 113.55 113.10 1hta h SER 41 Ca 0.04 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 1hta h SER 41 Cb 0.47 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1hta h SER 41 CO 0.03 1.01 0.11 -0.33 -0.53 0.00 0.00 176.83 177.12 1hta h GLU 42 N 0.75 1.06 -0.61 2.24 4.39 -1.14 -2.83 114.58 118.45 1hta h GLU 42 Ca 0.11 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1hta h GLU 42 Cb 0.68 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1hta h GLU 42 CO 0.05 0.98 0.35 0.00 -1.16 0.00 0.00 179.01 179.23 1hta h ALA 43 N 1.04 1.46 -0.61 3.43 0.00 -0.67 -1.39 119.26 122.52 1hta h ALA 43 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1hta h ALA 43 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1hta h ALA 43 CO 0.01 0.46 0.31 0.28 0.00 0.00 0.00 179.25 180.30 1hta h VAL 44 N 0.85 1.21 -0.70 0.00 2.07 -0.99 -1.19 116.25 117.49 1hta h VAL 44 Ca 0.22 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1hta h VAL 44 Cb 0.00 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1hta h VAL 44 CO -0.04 0.24 0.17 0.11 0.02 0.00 0.00 177.57 178.08 1hta h LYS 45 N 0.84 1.13 -0.78 1.57 1.57 -1.11 -1.69 116.57 118.10 1hta h LYS 45 Ca 0.21 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1hta h LYS 45 Cb 0.10 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1hta h LYS 45 CO -0.03 0.99 0.45 -0.07 -0.57 0.00 0.00 179.45 180.22 1hta h LEU 46 N 1.06 0.95 -0.42 2.94 3.38 -0.98 -0.57 115.31 121.68 1hta h LEU 46 Ca 0.22 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1hta h LEU 46 Cb 0.37 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1hta h LEU 46 CO 0.00 0.76 0.03 0.00 0.09 0.00 0.00 178.44 179.32 1hta h ALA 47 N 1.24 0.56 -0.74 1.53 0.00 -0.84 -2.26 119.26 118.75 1hta h ALA 47 Ca 0.28 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1hta h ALA 47 Cb -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1hta h ALA 47 CO -0.05 0.32 0.22 0.87 0.00 0.00 0.00 179.25 180.61 1hta h LYS 48 N 0.56 1.15 -0.01 0.00 1.57 -1.21 -1.27 116.57 117.36 1hta h LYS 48 Ca 0.12 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1hta h LYS 48 Cb 0.44 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1hta h LYS 48 CO 0.02 0.99 0.01 1.25 -0.57 0.00 0.00 179.45 181.14 1hta h HIS 49 N 1.10 0.00 -0.01 -1.35 2.76 -0.82 -0.98 115.15 115.85 1hta h HIS 49 Ca 0.24 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1hta h HIS 49 Cb 0.32 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.28 1hta h HIS 49 CO 0.03 0.00 -0.06 0.00 -1.30 0.00 0.00 177.93 176.60 1hta n ALA 50 N -2.50 2.70 -1.09 5.26 0.00 -0.87 -4.93 120.51 119.07 1hta n ALA 50 Ca -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.07 1hta n ALA 50 Cb 0.10 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 1hta n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hta n GLY 51 N 1.18 0.48 3.60 0.00 0.00 -0.37 -5.06 105.19 105.01 1hta n GLY 51 Ca 0.18 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 1hta n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hta s ARG 52 N -2.22 2.15 0.00 1.61 0.52 -0.52 -5.01 118.95 115.47 1hta s ARG 52 Ca 0.00 -1.30 0.23 0.00 -0.52 0.00 0.00 55.73 54.13 1hta s ARG 52 Cb 0.00 -2.17 0.04 0.00 0.52 0.00 0.00 34.95 33.34 1hta s ARG 52 CO 0.00 0.42 1.09 1.63 0.02 0.00 0.00 175.30 178.46 1hta n LYS 53 N -0.24 0.16 -4.19 3.54 4.76 -1.26 -3.88 118.16 117.05 1hta n LYS 53 Ca -0.09 -0.12 -0.34 0.00 -2.87 0.00 0.00 58.31 54.88 1hta n LYS 53 Cb 0.56 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.15 1hta n LYS 53 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1hta s THR 54 N -2.92 4.41 -0.04 -0.18 2.01 -1.26 -5.05 115.64 112.60 1hta s THR 54 Ca 0.11 -0.18 -0.25 0.00 0.31 0.00 0.00 61.69 61.68 1hta s THR 54 Cb 0.17 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 1hta s THR 54 CO 0.78 0.49 0.78 -0.63 -0.69 0.00 0.00 174.62 175.35 1hta s ILE 55 N 0.21 4.99 0.35 1.82 1.09 -1.26 -4.92 121.20 123.47 1hta s ILE 55 Ca 0.01 1.62 0.08 0.00 -1.10 0.00 0.00 60.65 61.26 1hta s ILE 55 Cb -0.13 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.11 1hta s ILE 55 CO 0.01 0.23 0.15 -0.54 -0.10 0.00 0.00 174.94 174.69 1hta s LYS 56 N 0.83 2.36 0.29 2.79 1.02 -1.26 -5.04 119.74 120.73 1hta s LYS 56 Ca 0.41 -1.57 0.02 0.00 0.02 0.00 0.00 55.97 54.85 1hta s LYS 56 Cb -0.19 -2.16 0.58 0.00 -0.52 0.00 0.00 37.83 35.55 1hta s LYS 56 CO 0.21 0.09 1.83 0.00 -0.92 0.00 0.00 175.35 176.56 1hta h ALA 57 N 1.54 1.55 0.00 5.17 0.00 -2.00 -1.32 119.26 124.19 1hta h ALA 57 Ca -0.44 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1hta h ALA 57 Cb 1.25 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1hta h ALA 57 CO 0.64 0.19 -0.14 1.05 0.00 0.00 0.00 179.25 180.98 1hta h GLU 58 N 0.96 0.00 -0.27 0.00 4.11 -1.99 -0.11 114.58 117.28 1hta h GLU 58 Ca 0.50 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.82 1hta h GLU 58 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1hta h GLU 58 CO -0.27 0.14 -0.27 -0.44 0.07 0.00 0.00 179.01 178.24 1hta h ASP 59 N 0.00 0.70 -0.58 3.06 3.32 -1.61 -1.62 116.42 119.70 1hta h ASP 59 Ca -0.00 -0.47 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 1hta h ASP 59 Cb 0.30 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1hta h ASP 59 CO 0.02 1.03 0.15 0.40 -1.72 0.00 0.00 179.24 179.12 1hta h ILE 60 N 0.39 1.25 -0.41 0.35 1.08 -1.10 -1.43 117.51 117.64 1hta h ILE 60 Ca 0.04 -0.87 -0.12 0.00 -0.39 0.00 0.00 64.86 63.52 1hta h ILE 60 Cb 0.83 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1hta h ILE 60 CO 0.07 0.33 -0.23 -0.33 -0.69 0.00 0.00 178.15 177.30 1hta h GLU 61 N 0.83 0.82 -0.26 2.37 4.39 -0.95 -1.06 114.58 120.72 1hta h GLU 61 Ca 0.18 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.42 1hta h GLU 61 Cb 0.33 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1hta h GLU 61 CO -0.00 0.96 -0.35 1.25 -1.16 0.00 0.00 179.01 179.71 1hta h LEU 62 N 0.71 0.76 -0.98 1.33 5.85 -1.25 -3.00 115.31 118.73 1hta h LEU 62 Ca 0.10 -0.51 0.10 0.00 0.84 0.00 0.00 57.88 58.41 1hta h LEU 62 Cb 0.75 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 1hta h LEU 62 CO 0.06 1.12 0.62 0.00 -0.34 0.00 0.00 178.44 179.89 1hta h ALA 63 N 0.67 1.43 -0.03 1.25 0.00 -1.12 -0.86 119.26 120.59 1hta h ALA 63 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1hta h ALA 63 Cb 0.94 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1hta h ALA 63 CO 0.08 0.28 -0.16 -0.09 0.00 0.00 0.00 179.25 179.37 1hta h ARG 64 N 1.03 0.04 0.00 0.00 1.12 -1.11 -1.92 114.38 113.54 1hta h ARG 64 Ca 0.46 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.33 1hta h ARG 64 Cb 0.37 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1hta h ARG 64 CO -0.23 0.20 0.00 0.87 -3.11 0.00 0.00 179.97 177.70 1hta h LYS 65 N 0.04 0.00 0.00 0.20 1.57 -1.01 -2.11 116.57 115.25 1hta h LYS 65 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1hta h LYS 65 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1hta h LYS 65 CO 0.02 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.57 1hta n MET 66 N -2.46 0.07 0.00 3.15 2.81 -0.72 -5.14 117.12 114.83 1hta n MET 66 Ca 0.02 0.15 0.02 0.00 -1.81 0.00 0.00 57.70 56.08 1hta n MET 66 Cb 0.28 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.31 1hta n MET 66 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67