#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ota s SER 8 N 0.00 6.84 0.43 7.72 1.04 -1.26 -4.90 113.70 123.57 2ota s SER 8 Ca 0.00 2.57 0.15 0.00 0.48 0.00 0.00 55.95 59.15 2ota s SER 8 Cb 0.00 -2.64 1.04 0.00 0.10 0.00 0.00 66.02 64.52 2ota s SER 8 CO 0.00 -0.48 1.94 -0.55 0.98 0.00 0.00 173.24 175.13 2ota h ASN 9 N 3.37 0.38 0.17 7.02 -1.07 -2.05 -1.69 115.58 121.73 2ota h ASN 9 Ca -0.48 0.02 -0.01 0.00 0.07 0.00 0.00 56.30 55.89 2ota h ASN 9 Cb 1.22 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 2ota h ASN 9 CO 0.65 0.21 -0.08 1.05 0.07 0.00 0.00 177.43 179.33 2ota h GLU 10 N 0.42 -0.22 0.02 4.14 4.11 -1.99 0.70 114.58 121.76 2ota h GLU 10 Ca 0.34 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.78 2ota h GLU 10 Cb 0.74 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2ota h GLU 10 CO -0.10 -0.07 -0.01 -0.09 0.07 0.00 0.00 179.01 178.81 2ota h ARG 11 N -0.32 -0.03 -0.34 1.06 2.43 -1.72 -0.72 114.38 114.74 2ota h ARG 11 Ca -0.02 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2ota h ARG 11 Cb 0.25 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2ota h ARG 11 CO 0.04 0.02 0.13 0.28 -1.51 0.00 0.00 179.97 178.93 2ota h VAL 12 N -0.07 0.91 -0.59 0.20 2.07 -1.33 -1.22 116.25 116.23 2ota h VAL 12 Ca -0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2ota h VAL 12 Cb 0.06 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2ota h VAL 12 CO 0.00 0.05 0.34 -0.08 0.02 0.00 0.00 177.57 177.90 2ota h GLU 13 N 0.28 0.81 -0.71 1.57 4.57 -0.69 -1.75 114.58 118.67 2ota h GLU 13 Ca 0.15 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 2ota h GLU 13 Cb 0.12 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 2ota h GLU 13 CO -0.15 0.61 0.24 0.87 -1.18 0.00 0.00 179.01 179.39 2ota h LYS 14 N 0.80 1.09 -0.51 1.92 6.56 -0.77 -1.85 116.57 123.81 2ota h LYS 14 Ca 0.21 -0.23 -0.06 0.00 -1.06 0.00 0.00 60.65 59.52 2ota h LYS 14 Cb 0.02 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.49 2ota h LYS 14 CO -0.04 0.93 0.10 0.82 -2.06 0.00 0.00 179.45 179.20 2ota h ILE 15 N 1.04 1.25 -0.34 1.86 2.04 -0.97 -0.52 117.51 121.87 2ota h ILE 15 Ca 0.23 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 2ota h ILE 15 Cb 0.28 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2ota h ILE 15 CO -0.01 0.33 0.20 0.40 0.00 0.00 0.00 178.15 179.07 2ota h ILE 16 N 0.71 1.12 -0.39 -0.67 2.04 -1.15 -0.78 117.51 118.39 2ota h ILE 16 Ca 0.16 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2ota h ILE 16 Cb 0.38 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2ota h ILE 16 CO 0.01 0.12 0.07 -0.61 0.00 0.00 0.00 178.15 177.74 2ota h GLN 17 N 0.44 0.58 -0.25 2.37 5.75 -1.15 -0.54 115.11 122.32 2ota h GLN 17 Ca 0.12 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.40 2ota h GLN 17 Cb 0.02 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 2ota h GLN 17 CO -0.02 0.55 -0.33 -0.44 -2.65 0.00 0.00 178.83 175.94 2ota h ASP 18 N 0.56 0.54 -0.28 -0.69 3.32 -0.59 -0.12 116.42 119.17 2ota h ASP 18 Ca 0.13 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 2ota h ASP 18 Cb 0.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2ota h ASP 18 CO 0.00 0.84 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.26 2ota h LEU 19 N 0.45 0.51 -1.04 1.55 3.38 -0.33 -2.93 115.31 116.89 2ota h LEU 19 Ca 0.05 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 2ota h LEU 19 Cb 0.79 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2ota h LEU 19 CO 0.06 0.72 -0.44 -0.07 0.09 0.00 0.00 178.44 178.80 2ota h LEU 20 N 0.28 0.09 -0.73 1.67 3.38 -0.97 -3.00 115.31 116.03 2ota h LEU 20 Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2ota h LEU 20 Cb 0.47 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2ota h LEU 20 CO 0.02 0.52 0.33 0.44 0.09 0.00 0.00 178.44 179.84 2ota h ASP 21 N 0.07 0.97 -0.71 -0.43 3.32 -0.91 -0.29 116.42 118.45 2ota h ASP 21 Ca 0.00 -0.15 0.09 0.00 0.02 0.00 0.00 57.03 56.99 2ota h ASP 21 Cb 0.81 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.04 2ota h ASP 21 CO 0.06 0.85 0.36 0.58 -1.72 0.00 0.00 179.24 179.37 2ota h VAL 22 N 1.03 0.86 -0.19 -1.35 2.07 -1.37 0.31 116.25 117.61 2ota h VAL 22 Ca 0.25 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 2ota h VAL 22 Cb 0.15 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2ota h VAL 22 CO -0.03 0.11 -0.20 -0.07 0.02 0.00 0.00 177.57 177.40 2ota h LEU 23 N 0.61 0.50 -0.32 2.57 3.38 -1.45 -2.51 115.31 118.10 2ota h LEU 23 Ca 0.34 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2ota h LEU 23 Cb 0.34 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2ota h LEU 23 CO -0.26 0.89 0.20 0.58 0.09 0.00 0.00 178.44 179.94 2ota h VAL 24 N 0.13 1.10 -0.74 1.22 2.07 -0.58 -2.00 116.25 117.45 2ota h VAL 24 Ca 0.03 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.43 2ota h VAL 24 Cb 0.75 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2ota h VAL 24 CO 0.05 0.09 0.49 0.50 0.02 0.00 0.00 177.57 178.72 2ota h LYS 25 N 0.42 0.64 -0.02 1.57 3.64 -0.39 -0.12 116.57 122.31 2ota h LYS 25 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2ota h LYS 25 Cb -0.02 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2ota h LYS 25 CO -0.02 0.43 0.00 -1.91 -2.27 0.00 0.00 179.45 175.67 2ota n GLU 26 N -4.49 1.41 -3.97 1.90 4.07 -0.84 -4.94 120.64 113.77 2ota n GLU 26 Ca 0.12 -0.60 -0.27 0.00 -0.06 0.00 0.00 57.16 56.35 2ota n GLU 26 Cb 0.32 -1.48 -0.01 0.00 -0.06 0.00 0.00 31.44 30.21 2ota n GLU 26 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2ota n GLU 27 N -0.27 -3.57 -2.68 5.31 1.02 -0.06 -4.95 120.64 115.45 2ota n GLU 27 Ca 0.21 0.43 -0.30 0.00 -0.02 0.00 0.00 57.16 57.48 2ota n GLU 27 Cb 0.26 -4.74 -0.02 0.00 -0.02 0.00 0.00 31.44 26.92 2ota n GLU 27 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ota s VAL 28 N -3.79 4.78 0.47 2.62 -7.23 -1.18 -5.08 120.40 110.99 2ota s VAL 28 Ca 0.16 0.61 -0.04 0.00 -1.81 0.00 0.00 61.98 60.90 2ota s VAL 28 Cb -0.09 -3.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 2ota s VAL 28 CO 0.88 -0.66 0.76 0.42 -0.31 0.00 0.00 175.10 176.19 2ota s THR 29 N -2.54 4.86 0.25 5.32 -4.23 -1.26 -4.86 115.64 113.18 2ota s THR 29 Ca 0.51 0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 2ota s THR 29 Cb -0.10 -3.84 0.22 0.00 1.34 0.00 0.00 72.50 70.12 2ota s THR 29 CO 0.36 -0.78 1.72 -0.65 -0.54 0.00 0.00 174.62 174.73 2ota h PRO 30 N 0.28 0.41 -0.44 3.99 0.11 -1.98 0.06 132.00 134.42 2ota h PRO 30 Ca -0.47 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.65 2ota h PRO 30 Cb 1.21 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2ota h PRO 30 CO 0.61 0.27 0.23 -0.44 -0.21 0.00 0.00 178.00 178.47 2ota h ASP 31 N 0.42 0.34 -0.33 -2.05 5.19 -1.99 -0.44 116.42 117.57 2ota h ASP 31 Ca 0.42 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.78 2ota h ASP 31 Cb 0.66 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 2ota h ASP 31 CO -0.42 0.24 -0.09 0.25 -3.12 0.00 0.00 179.24 176.10 2ota h LEU 32 N 0.46 0.65 -0.89 1.55 5.85 -1.77 -3.03 115.31 118.13 2ota h LEU 32 Ca 0.19 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 58.64 2ota h LEU 32 Cb 0.08 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 2ota h LEU 32 CO -0.13 0.87 0.53 0.00 -0.34 0.00 0.00 178.44 179.37 2ota h ALA 33 N 0.80 1.28 0.00 1.25 0.00 -0.62 -1.45 119.26 120.52 2ota h ALA 33 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ota h ALA 33 Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ota h ALA 33 CO 0.03 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.72 2ota n LEU 34 N -4.69 2.19 0.00 0.00 4.77 -0.21 -1.29 117.00 117.77 2ota n LEU 34 Ca 0.15 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 2ota n LEU 34 Cb 0.29 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2ota n LEU 34 CO 0.27 0.39 0.00 0.00 -1.33 0.00 0.00 177.39 176.72 2ota h LEU 37 N 0.00 0.79 -0.48 0.00 3.38 -1.45 -1.69 115.31 115.87 2ota h LEU 37 Ca 0.00 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2ota h LEU 37 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2ota h LEU 37 CO 0.00 1.02 0.22 1.23 0.09 0.00 0.00 178.44 180.99 2ota h GLY 38 N 0.95 0.75 1.27 0.83 0.00 -1.20 -0.41 103.07 105.26 2ota h GLY 38 Ca 0.08 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 2ota h GLY 38 CO 0.06 0.36 0.18 3.43 0.00 0.00 0.00 176.54 180.58 2ota h ASN 39 N 0.63 0.85 -0.46 0.19 2.35 -1.77 -1.18 115.58 116.19 2ota h ASN 39 Ca 0.16 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2ota h ASN 39 Cb 0.14 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2ota h ASN 39 CO -0.02 0.80 0.18 0.00 -1.65 0.00 0.00 177.43 176.75 2ota h ALA 40 N 1.31 0.60 -0.63 -0.83 0.00 -0.81 -1.50 119.26 117.41 2ota h ALA 40 Ca 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2ota h ALA 40 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2ota h ALA 40 CO -0.01 0.21 0.21 0.28 0.00 0.00 0.00 179.25 179.95 2ota h VAL 41 N 0.61 1.24 -0.75 0.00 2.07 -0.74 -1.72 116.25 116.96 2ota h VAL 41 Ca 0.15 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2ota h VAL 41 Cb 0.20 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2ota h VAL 41 CO -0.01 0.31 0.33 0.74 0.02 0.00 0.00 177.57 178.96 2ota h THR 42 N 0.89 1.25 -0.81 2.57 2.02 -1.04 0.22 112.91 118.01 2ota h THR 42 Ca 0.20 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 2ota h THR 42 Cb 0.27 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2ota h THR 42 CO -0.01 0.31 0.41 -1.13 0.37 0.00 0.00 175.52 175.47 2ota h ASN 43 N 1.08 1.04 -0.17 4.18 -0.73 -0.82 -2.19 115.58 117.98 2ota h ASN 43 Ca 0.26 -0.12 -0.11 0.00 1.87 0.00 0.00 56.30 58.20 2ota h ASN 43 Cb 0.16 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.49 2ota h ASN 43 CO -0.03 0.87 -0.31 0.40 -0.37 0.00 0.00 177.43 177.99 2ota h ILE 44 N 1.14 1.35 0.00 2.57 1.08 -0.62 -3.11 117.51 119.91 2ota h ILE 44 Ca 0.28 -1.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.19 2ota h ILE 44 Cb 0.09 1.94 -0.00 0.00 -3.07 0.00 0.00 36.82 35.78 2ota h ILE 44 CO -0.04 0.47 -0.04 0.40 -0.69 0.00 0.00 178.15 178.25 2ota h ILE 45 N 0.14 0.77 0.00 -0.67 2.04 -0.85 0.40 117.51 119.34 2ota h ILE 45 Ca 0.01 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2ota h ILE 45 Cb 0.90 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2ota h ILE 45 CO 0.07 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.26 2ota n ALA 46 N -2.41 2.01 0.57 1.87 0.00 -0.84 -2.18 120.51 119.53 2ota n ALA 46 Ca -0.03 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2ota n ALA 46 Cb 0.13 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.42 2ota n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ota n GLN 47 N -1.33 0.29 -3.67 0.00 6.02 0.14 -4.87 117.38 113.96 2ota n GLN 47 Ca 0.08 0.08 -0.25 0.00 -0.01 0.00 0.00 57.00 56.91 2ota n GLN 47 Cb 0.17 -1.68 -0.02 0.00 1.02 0.00 0.00 30.24 29.73 2ota n GLN 47 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2ota s VAL 48 N -3.17 5.19 0.37 5.09 -7.23 -0.93 -5.04 120.40 114.69 2ota s VAL 48 Ca 0.06 -0.54 -0.25 0.00 -1.81 0.00 0.00 61.98 59.44 2ota s VAL 48 Cb 0.13 -3.80 -0.12 0.00 0.56 0.00 0.00 36.38 33.15 2ota s VAL 48 CO 0.72 -0.33 0.86 -2.65 -0.31 0.00 0.00 175.10 173.40 2ota n PRO 49 N -1.17 1.07 0.05 4.82 -0.02 -1.26 -4.79 135.00 133.69 2ota n PRO 49 Ca -0.06 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 2ota n PRO 49 Cb 0.55 -1.79 0.60 0.00 -0.02 0.00 0.00 33.50 32.85 2ota n PRO 49 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ota h GLU 50 N 1.43 0.15 0.00 -0.52 4.81 -1.93 -0.43 114.58 118.08 2ota h GLU 50 Ca -0.41 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2ota h GLU 50 Cb 1.36 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2ota h GLU 50 CO 0.56 0.10 0.00 -1.13 -0.73 0.00 0.00 179.01 177.81 2ota n SER 51 N -4.46 0.00 0.00 1.04 3.41 -1.26 -3.03 113.62 109.32 2ota n SER 51 Ca 0.06 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2ota n SER 51 Cb 0.36 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2ota n SER 51 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ota n LYS 52 N -1.23 2.14 -0.22 4.33 5.02 -0.19 -4.81 118.16 123.18 2ota n LYS 52 Ca 0.11 -0.27 -0.08 0.00 -2.02 0.00 0.00 58.31 56.05 2ota n LYS 52 Cb 0.14 -0.76 0.03 0.00 -0.02 0.00 0.00 35.03 34.43 2ota n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ota h ARG 53 N 0.00 0.98 -0.33 1.97 3.08 -1.41 -0.33 114.38 118.34 2ota h ARG 53 Ca 0.00 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 2ota h ARG 53 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2ota h ARG 53 CO 0.00 0.87 -0.07 0.28 -1.07 0.00 0.00 179.97 179.98 2ota h VAL 54 N 0.90 1.28 -0.12 2.04 2.07 -1.87 -1.10 116.25 119.44 2ota h VAL 54 Ca 0.20 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2ota h VAL 54 Cb 0.31 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2ota h VAL 54 CO -0.00 0.36 0.05 0.00 0.02 0.00 0.00 177.57 178.00 2ota h ALA 55 N 0.81 0.16 -0.25 1.67 0.00 -1.88 -0.69 119.26 119.09 2ota h ALA 55 Ca 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ota h ALA 55 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2ota h ALA 55 CO 0.03 -0.26 0.11 0.28 0.00 0.00 0.00 179.25 179.41 2ota h VAL 56 N 0.05 0.98 -0.88 0.00 2.07 -1.02 -0.18 116.25 117.27 2ota h VAL 56 Ca 0.04 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2ota h VAL 56 Cb 0.16 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2ota h VAL 56 CO -0.00 0.04 0.45 1.62 0.02 0.00 0.00 177.57 179.70 2ota h VAL 57 N 0.24 1.26 -0.71 2.57 3.04 -1.08 -0.26 116.25 121.32 2ota h VAL 57 Ca 0.10 -0.70 -0.04 0.00 -1.01 0.00 0.00 66.70 65.05 2ota h VAL 57 Cb 0.04 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.39 2ota h VAL 57 CO -0.08 0.31 0.27 0.44 -1.01 0.00 0.00 177.57 177.50 2ota h ASP 58 N 1.24 1.00 -0.45 3.17 3.32 -0.57 0.10 116.42 124.23 2ota h ASP 58 Ca 0.31 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2ota h ASP 58 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2ota h ASP 58 CO -0.04 0.91 -0.18 0.78 -1.72 0.00 0.00 179.24 178.99 2ota h ASN 59 N 1.02 0.94 -0.21 6.45 -0.26 -0.66 -1.02 115.58 121.84 2ota h ASN 59 Ca 0.24 -0.39 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 2ota h ASN 59 Cb 0.23 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 2ota h ASN 59 CO -0.02 1.12 0.13 0.15 -1.06 0.00 0.00 177.43 177.75 2ota h PHE 60 N 0.75 0.26 -0.41 1.19 3.57 -0.74 -1.53 116.94 120.04 2ota h PHE 60 Ca 0.11 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 2ota h PHE 60 Cb 0.74 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2ota h PHE 60 CO 0.05 0.18 -0.29 1.79 -2.23 0.00 0.00 178.31 177.81 2ota h THR 61 N 0.27 1.27 0.30 4.41 1.35 -0.92 -1.10 112.91 118.50 2ota h THR 61 Ca 0.08 -1.46 -0.01 0.00 -0.55 0.00 0.00 66.41 64.46 2ota h THR 61 Cb -0.02 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2ota h THR 61 CO -0.02 0.49 -0.16 0.50 -0.25 0.00 0.00 175.52 176.09 2ota h LYS 62 N 0.74 -0.41 -0.69 4.72 3.64 -1.07 0.83 116.57 124.32 2ota h LYS 62 Ca 0.08 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2ota h LYS 62 Cb 0.88 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 2ota h LYS 62 CO 0.08 -0.28 0.42 0.00 -2.27 0.00 0.00 179.45 177.40 2ota h ALA 63 N 0.26 0.92 0.01 5.00 0.00 -1.29 -0.88 119.26 123.29 2ota h ALA 63 Ca -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ota h ALA 63 Cb 0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ota h ALA 63 CO 0.06 0.15 -0.13 1.25 0.00 0.00 0.00 179.25 180.57 2ota h LEU 64 N 0.79 -0.38 -0.25 0.00 6.46 -0.73 -0.24 115.31 120.96 2ota h LEU 64 Ca 0.29 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 58.12 2ota h LEU 64 Cb 0.09 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 2ota h LEU 64 CO -0.14 -0.19 0.13 0.11 -0.62 0.00 0.00 178.44 177.74 2ota h LYS 65 N -0.23 0.27 -0.42 1.25 1.57 -0.47 -0.33 116.57 118.21 2ota h LYS 65 Ca 0.04 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2ota h LYS 65 Cb 0.28 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 2ota h LYS 65 CO -0.12 0.18 0.11 -0.56 -0.57 0.00 0.00 179.45 178.49 2ota h GLN 66 N 0.28 0.25 -0.61 3.15 -0.00 -0.88 -0.20 115.11 117.10 2ota h GLN 66 Ca 0.10 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.68 2ota h GLN 66 Cb 0.01 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 27.41 2ota h GLN 66 CO -0.06 0.16 0.16 0.77 -0.00 0.00 0.00 178.83 179.87 2ota h SER 67 N 0.25 0.87 -0.48 0.06 0.02 -0.69 -2.17 113.55 111.42 2ota h SER 67 Ca 0.20 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 2ota h SER 67 Cb 0.23 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2ota h SER 67 CO -0.24 0.84 -0.08 0.58 -1.14 0.00 0.00 176.83 176.79 2ota h VAL 68 N 0.90 1.26 -0.39 2.27 2.07 -0.10 -2.47 116.25 119.80 2ota h VAL 68 Ca 0.20 -1.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.38 2ota h VAL 68 Cb 0.30 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2ota h VAL 68 CO -0.00 0.42 -0.29 -0.07 0.02 0.00 0.00 177.57 177.65 2ota h LEU 69 N 0.85 0.87 -1.37 2.57 3.38 -0.86 -3.13 115.31 117.62 2ota h LEU 69 Ca 0.14 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2ota h LEU 69 Cb 0.62 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2ota h LEU 69 CO 0.04 1.10 -0.03 -0.08 0.09 0.00 0.00 178.44 179.56 2ota h GLU 70 N 0.71 0.00 -0.95 1.13 4.81 -1.24 -3.24 114.58 115.79 2ota h GLU 70 Ca 0.08 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.71 2ota h GLU 70 Cb 0.84 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.92 2ota h GLU 70 CO 0.07 0.03 0.66 0.72 -0.73 0.00 0.00 179.01 179.76 2ota n HIS 71 N -3.13 3.06 -3.65 0.92 8.25 -0.94 -4.90 115.22 114.83 2ota n HIS 71 Ca 0.01 -2.58 -0.38 0.00 -0.26 0.00 0.00 57.72 54.51 2ota n HIS 71 Cb 0.33 -1.20 -0.12 0.00 1.12 0.00 0.00 29.99 30.13 2ota n HIS 71 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ota s HIS 72 N -3.64 3.17 -2.05 4.41 4.02 -1.23 -5.05 115.29 114.92 2ota s HIS 72 Ca 0.61 -0.09 0.32 0.00 1.02 0.00 0.00 55.06 56.91 2ota s HIS 72 Cb 0.49 -2.33 1.82 0.00 -1.02 0.00 0.00 32.58 31.54 2ota s HIS 72 CO 0.03 -0.24 2.18 0.72 1.02 0.00 0.00 174.74 178.45