#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kob s ASP 62 N 0.00 6.08 0.78 0.55 1.11 -1.26 -5.05 116.67 118.88 2kob s ASP 62 Ca 0.00 0.07 -0.04 0.00 0.18 0.00 0.00 52.55 52.76 2kob s ASP 62 Cb 0.00 -2.12 0.15 0.00 1.07 0.00 0.00 42.92 42.02 2kob s ASP 62 CO 0.00 -0.01 1.07 -0.55 1.18 0.00 0.00 175.17 176.87 2kob s SER 63 N 1.43 4.03 0.34 0.27 0.15 -1.26 -3.97 113.70 114.70 2kob s SER 63 Ca 0.08 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.54 2kob s SER 63 Cb -0.15 -0.01 0.62 0.00 -1.71 0.00 0.00 66.02 64.77 2kob s SER 63 CO 0.08 -2.08 1.82 0.15 1.20 0.00 0.00 173.24 174.41 2kob h PHE 64 N -0.79 0.30 -0.99 3.44 3.57 -1.67 -1.94 116.94 118.86 2kob h PHE 64 Ca -0.38 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.09 2kob h PHE 64 Cb 1.26 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 2kob h PHE 64 CO -0.43 0.49 0.65 0.78 -2.23 0.00 0.00 178.31 177.57 2kob h GLY 65 N 0.94 1.40 0.97 2.40 0.00 -1.75 0.42 103.07 107.45 2kob h GLY 65 Ca 0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2kob h GLY 65 CO 0.04 0.49 0.23 -0.55 0.00 0.00 0.00 176.54 176.75 2kob h ASP 66 N 1.32 0.56 0.76 0.19 3.32 -1.69 -0.88 116.42 120.00 2kob h ASP 66 Ca 0.37 -0.11 -0.21 0.00 0.02 0.00 0.00 57.03 57.10 2kob h ASP 66 Cb -0.13 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2kob h ASP 66 CO -0.09 0.51 -0.98 -0.50 -1.72 0.00 0.00 179.24 176.46 2kob h TRP 67 N 0.57 0.20 -0.47 4.55 4.06 -1.05 0.27 115.95 124.07 2kob h TRP 67 Ca 0.15 -0.13 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 2kob h TRP 67 Cb 0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.21 2kob h TRP 67 CO -0.02 1.02 0.20 0.00 -3.56 0.00 0.00 178.44 176.08 2kob h ALA 68 N 0.93 0.61 -0.38 1.49 0.00 -0.07 0.17 119.26 122.02 2kob h ALA 68 Ca -0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2kob h ALA 68 Cb 1.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2kob h ALA 68 CO 0.14 0.21 -0.29 1.49 0.00 0.00 0.00 179.25 180.81 2kob h GLU 69 N 0.62 0.81 -0.52 0.00 4.57 -1.11 -2.64 114.58 116.32 2kob h GLU 69 Ca 0.16 -0.36 0.04 0.00 -1.18 0.00 0.00 59.36 58.02 2kob h GLU 69 Cb 0.18 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2kob h GLU 69 CO -0.01 0.99 0.28 -0.22 -1.18 0.00 0.00 179.01 178.86 2kob h LYS 70 N 0.69 0.52 -0.47 1.92 1.63 0.03 0.20 116.57 121.09 2kob h LYS 70 Ca 0.08 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 2kob h LYS 70 Cb 0.83 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2kob h LYS 70 CO 0.07 0.34 0.22 0.35 -3.45 0.00 0.00 179.45 176.99 2kob h PHE 71 N 0.54 0.69 -0.11 1.91 3.57 -0.60 0.15 116.94 123.08 2kob h PHE 71 Ca 0.23 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2kob h PHE 71 Cb 0.11 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2kob h PHE 71 CO -0.09 0.55 0.07 -0.07 -2.23 0.00 0.00 178.31 176.54 2kob h LEU 72 N 0.62 0.13 -1.16 0.59 4.07 -1.05 -1.39 115.31 117.12 2kob h LEU 72 Ca 0.16 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.12 2kob h LEU 72 Cb 0.13 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 2kob h LEU 72 CO -0.02 0.11 0.57 0.11 -1.08 0.00 0.00 178.44 178.13 2kob h LYS 73 N 0.14 1.12 -0.45 1.13 1.57 -0.36 0.24 116.57 119.96 2kob h LYS 73 Ca 0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2kob h LYS 73 Cb 0.00 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 2kob h LYS 73 CO -0.01 0.74 0.25 0.77 -0.57 0.00 0.00 179.45 180.63 2kob h SER 74 N 1.15 0.56 -0.21 0.86 0.02 -0.26 0.11 113.55 115.78 2kob h SER 74 Ca 0.32 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 61.05 2kob h SER 74 Cb -0.11 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.29 2kob h SER 74 CO -0.08 0.49 -0.39 0.11 -1.14 0.00 0.00 176.83 175.83 2kob h LYS 75 N 0.59 0.63 -0.47 3.45 1.79 -0.79 -0.21 116.57 121.56 2kob h LYS 75 Ca 0.16 -0.40 0.04 0.00 -2.18 0.00 0.00 60.65 58.27 2kob h LYS 75 Cb 0.05 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 2kob h LYS 75 CO -0.03 1.02 0.24 1.49 -1.08 0.00 0.00 179.45 181.09 2kob h GLU 76 N 0.32 0.46 0.00 3.15 4.57 -0.37 -1.66 114.58 121.04 2kob h GLU 76 Ca 0.01 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2kob h GLU 76 Cb 0.99 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2kob h GLU 76 CO 0.09 0.30 -0.19 0.00 -1.18 0.00 0.00 179.01 178.03 2kob h ALA 77 N 1.25 0.88 0.26 2.92 0.00 -0.79 -3.31 119.26 120.47 2kob h ALA 77 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kob h ALA 77 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kob h ALA 77 CO -0.14 0.24 -0.12 0.22 0.00 0.00 0.00 179.25 179.44 2kob h ASP 78 N 0.00 -0.29 0.00 0.00 3.58 -0.37 -3.48 116.42 115.85 2kob h ASP 78 Ca -0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2kob h ASP 78 Cb 1.11 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2kob h ASP 78 CO 0.02 0.13 0.00 0.61 -2.88 0.00 0.00 179.24 177.13 2kob n GLY 79 N -0.02 -0.11 3.50 -0.78 0.00 -0.69 -5.08 105.19 102.00 2kob n GLY 79 Ca -0.09 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 2kob n GLY 79 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kob s VAL 80 N 0.00 2.62 0.73 1.61 -7.23 -1.18 -5.06 120.40 111.89 2kob s VAL 80 Ca 0.00 -2.34 -0.11 0.00 -1.81 0.00 0.00 61.98 57.72 2kob s VAL 80 Cb 0.00 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.59 2kob s VAL 80 CO 0.00 -0.40 1.08 -0.55 -0.31 0.00 0.00 175.10 174.92 2kob s SER 81 N -3.53 4.98 0.15 4.85 0.15 -1.26 -4.83 113.70 114.21 2kob s SER 81 Ca 0.30 1.74 -0.16 0.00 0.70 0.00 0.00 55.95 58.53 2kob s SER 81 Cb -0.05 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2kob s SER 81 CO 0.16 -1.71 1.81 0.58 1.20 0.00 0.00 173.24 175.28 2kob h VAL 82 N -0.83 1.10 -0.94 4.45 2.07 -2.00 -0.20 116.25 119.91 2kob h VAL 82 Ca -0.44 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 66.96 2kob h VAL 82 Cb 1.22 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 2kob h VAL 82 CO 0.54 0.10 0.59 0.77 0.02 0.00 0.00 177.57 179.59 2kob h SER 83 N 0.54 0.94 -0.28 0.57 4.64 -1.97 0.27 113.55 118.25 2kob h SER 83 Ca 0.15 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 2kob h SER 83 Cb -0.06 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 2kob h SER 83 CO -0.04 0.60 0.03 -0.61 -0.87 0.00 0.00 176.83 175.94 2kob h GLN 84 N 1.07 0.48 -0.56 4.77 5.75 -1.71 0.61 115.11 125.52 2kob h GLN 84 Ca 0.41 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.72 2kob h GLN 84 Cb 0.18 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2kob h GLN 84 CO -0.18 0.60 0.16 1.25 -2.65 0.00 0.00 178.83 178.01 2kob h LEU 85 N 0.29 0.84 -1.86 -2.39 7.12 -0.50 -1.88 115.31 116.92 2kob h LEU 85 Ca 0.08 -0.22 -0.01 0.00 0.13 0.00 0.00 57.88 57.86 2kob h LEU 85 Cb 0.36 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.27 2kob h LEU 85 CO 0.01 0.84 -0.06 0.78 -0.13 0.00 0.00 178.44 179.87 2kob h ASN 86 N 0.80 0.00 -0.08 1.25 4.21 -0.25 0.18 115.58 121.68 2kob h ASN 86 Ca 0.18 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.67 2kob h ASN 86 Cb 0.31 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2kob h ASN 86 CO -0.00 0.06 -0.01 0.28 -1.29 0.00 0.00 177.43 176.47 2kob h SER 87 N 0.00 0.15 -0.23 5.81 0.02 -0.06 0.72 113.55 119.96 2kob h SER 87 Ca -0.00 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.51 2kob h SER 87 Cb 0.39 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2kob h SER 87 CO 0.01 0.47 -0.12 1.88 -1.14 0.00 0.00 176.83 177.93 2kob h TYR 88 N -0.17 0.69 -0.63 3.45 0.05 -1.04 -2.30 116.97 117.02 2kob h TYR 88 Ca 0.02 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2kob h TYR 88 Cb 0.40 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 2kob h TYR 88 CO 0.05 0.73 0.41 -0.22 -1.05 0.00 0.00 178.16 178.08 2kob h LYS 89 N 0.58 0.84 -0.27 4.88 3.64 -0.54 0.51 116.57 126.21 2kob h LYS 89 Ca 0.10 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2kob h LYS 89 Cb 0.54 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2kob h LYS 89 CO 0.03 0.56 -0.01 -0.97 -2.27 0.00 0.00 179.45 176.79 2kob h ASN 90 N 0.86 0.38 0.50 4.20 -1.24 -0.49 0.55 115.58 120.34 2kob h ASN 90 Ca 0.23 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 2kob h ASN 90 Cb -0.09 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 38.87 2kob h ASN 90 CO -0.05 0.45 -0.24 1.88 -1.29 0.00 0.00 177.43 178.18 2kob h TYR 91 N 0.39 -0.63 -0.14 0.67 0.05 -0.80 -2.72 116.97 113.80 2kob h TYR 91 Ca 0.09 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2kob h TYR 91 Cb 0.29 0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 2kob h TYR 91 CO 0.01 -0.38 -0.01 0.00 -1.05 0.00 0.00 178.16 176.73 2kob h ARG 93 N -0.02 0.06 0.00 0.00 2.47 -1.06 -3.17 114.38 112.65 2kob h ARG 93 Ca 0.04 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 2kob h ARG 93 Cb 0.39 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2kob h ARG 93 CO 0.01 0.90 -0.59 -0.91 0.56 0.00 0.00 179.97 179.94 2kob h ASN 94 N -0.75 0.00 0.16 7.04 4.21 -1.62 -3.30 115.58 121.32 2kob h ASN 94 Ca -0.02 -0.70 -0.34 0.00 1.21 0.00 0.00 56.30 56.45 2kob h ASN 94 Cb 0.95 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 2kob h ASN 94 CO 0.02 1.20 -1.71 0.45 -1.29 0.00 0.00 177.43 176.10 2kob h HIS 95 N -1.00 0.62 -0.31 1.19 3.86 -1.02 -3.30 115.15 115.19 2kob h HIS 95 Ca -0.16 -0.46 -0.05 0.00 -1.16 0.00 0.00 60.37 58.54 2kob h HIS 95 Cb 1.08 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 2kob h HIS 95 CO 0.17 1.67 0.07 1.28 0.86 0.00 0.00 177.93 181.98 2kob n LEU 96 N -3.66 3.54 -0.32 2.43 4.77 0.11 -4.45 117.00 119.42 2kob n LEU 96 Ca -0.26 -1.81 0.01 0.00 -0.03 0.00 0.00 56.01 53.92 2kob n LEU 96 Cb 1.03 -0.60 0.14 0.00 -2.33 0.00 0.00 43.42 41.66 2kob n LEU 96 CO 0.48 0.50 1.20 0.77 -1.33 0.00 0.00 177.39 179.01 2kob h SER 97 N 1.53 0.87 -0.65 -1.43 4.64 -1.63 0.10 113.55 116.99 2kob h SER 97 Ca 0.07 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.44 2kob h SER 97 Cb 1.34 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 2kob h SER 97 CO 0.29 0.56 0.43 -0.65 -0.87 0.00 0.00 176.83 176.59 2kob h PRO 98 N 1.01 0.70 0.00 4.77 0.11 -1.89 -2.64 132.00 134.06 2kob h PRO 98 Ca 0.38 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 66.20 2kob h PRO 98 Cb 0.15 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 2kob h PRO 98 CO -0.17 0.47 -1.32 -0.07 -0.21 0.00 0.00 178.00 176.70 2kob h LEU 99 N 0.73 0.00 -2.22 2.35 3.38 -1.67 -3.32 115.31 114.55 2kob h LEU 99 Ca 0.26 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.27 2kob h LEU 99 Cb 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2kob h LEU 99 CO -0.08 1.01 0.14 0.22 0.09 0.00 0.00 178.44 179.82 2kob h TYR 100 N 0.00 0.00 -0.15 1.13 3.20 -0.45 0.13 116.97 120.83 2kob h TYR 100 Ca -0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2kob h TYR 100 Cb 1.88 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.15 2kob h TYR 100 CO 0.00 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.52 2kob n MET 101 N -3.99 2.25 -4.17 1.82 0.00 -1.22 -2.97 117.12 108.85 2kob n MET 101 Ca 0.01 -1.85 -0.30 0.00 0.00 0.00 0.00 57.70 55.55 2kob n MET 101 Cb 0.26 -1.47 -0.08 0.00 0.00 0.00 0.00 33.22 31.92 2kob n MET 101 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2kob s LYS 102 N -1.83 2.52 0.47 3.17 1.02 0.44 -5.03 119.74 120.51 2kob s LYS 102 Ca 0.33 -0.83 -0.22 0.00 0.02 0.00 0.00 55.97 55.26 2kob s LYS 102 Cb 0.21 -2.52 -0.07 0.00 -0.52 0.00 0.00 37.83 34.92 2kob s LYS 102 CO 0.31 0.55 1.15 -1.12 -0.92 0.00 0.00 175.35 175.32 2kob s SER 103 N -2.20 6.13 0.44 2.83 0.01 -1.26 -2.22 113.70 117.43 2kob s SER 103 Ca 0.24 2.27 0.16 0.00 1.31 0.00 0.00 55.95 59.93 2kob s SER 103 Cb -0.12 -2.60 1.07 0.00 0.21 0.00 0.00 66.02 64.59 2kob s SER 103 CO 0.17 -0.94 1.95 0.25 0.41 0.00 0.00 173.24 175.08 2kob h LEU 104 N 1.94 0.35 0.00 2.44 5.85 -1.82 -1.69 115.31 122.37 2kob h LEU 104 Ca -0.49 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2kob h LEU 104 Cb 1.25 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2kob h LEU 104 CO 0.60 0.19 -0.14 0.77 -0.34 0.00 0.00 178.44 179.52 2kob h SER 105 N 0.38 0.00 -0.41 1.25 4.64 -1.91 -3.30 113.55 114.19 2kob h SER 105 Ca 0.32 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2kob h SER 105 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2kob h SER 105 CO -0.09 0.01 0.00 -1.84 -0.87 0.00 0.00 176.83 174.05 2kob n GLU 106 N -2.51 2.71 -2.88 4.77 0.28 -0.64 -4.89 120.64 117.49 2kob n GLU 106 Ca 0.04 -2.14 -0.43 0.00 -0.16 0.00 0.00 57.16 54.47 2kob n GLU 106 Cb 0.47 -1.34 -0.04 0.00 1.43 0.00 0.00 31.44 31.96 2kob n GLU 106 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2kob s ILE 107 N -1.01 4.40 0.34 3.84 1.01 -1.20 -4.94 121.20 123.64 2kob s ILE 107 Ca 0.29 -0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.53 2kob s ILE 107 Cb 0.15 -4.59 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 2kob s ILE 107 CO 0.20 -1.27 1.06 -1.48 0.00 0.00 0.00 174.94 173.45 2kob s LEU 108 N 3.88 4.34 0.49 2.97 2.34 -1.26 -4.82 118.68 126.62 2kob s LEU 108 Ca 0.24 2.11 0.18 0.00 0.06 0.00 0.00 54.13 56.72 2kob s LEU 108 Cb -0.15 -3.93 1.21 0.00 -0.56 0.00 0.00 46.19 42.76 2kob s LEU 108 CO 0.14 -0.30 2.04 -0.65 -1.06 0.00 0.00 176.35 176.52 2kob h PRO 109 N 3.14 0.16 -0.49 1.48 0.11 -1.96 -1.49 132.00 132.95 2kob h PRO 109 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2kob h PRO 109 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2kob h PRO 109 CO 0.65 0.11 0.24 0.00 -0.21 0.00 0.00 178.00 178.78 2kob h ALA 110 N 1.80 1.49 -0.19 -0.75 0.00 -1.92 -0.87 119.26 118.82 2kob h ALA 110 Ca 0.18 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 2kob h ALA 110 Cb 0.50 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kob h ALA 110 CO -0.03 0.41 -0.63 0.22 0.00 0.00 0.00 179.25 179.23 2kob h ASP 111 N 0.69 0.77 -0.46 0.00 3.58 -1.66 -0.08 116.42 119.27 2kob h ASP 111 Ca 0.17 -0.45 -0.10 0.00 0.42 0.00 0.00 57.03 57.08 2kob h ASP 111 Cb 0.07 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2kob h ASP 111 CO -0.02 1.21 -0.07 0.40 -2.88 0.00 0.00 179.24 177.88 2kob h ILE 112 N 0.50 1.26 -0.65 2.25 2.04 -1.48 -2.37 117.51 119.07 2kob h ILE 112 Ca -0.01 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 2kob h ILE 112 Cb 1.21 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2kob h ILE 112 CO 0.12 0.41 0.30 -0.61 0.00 0.00 0.00 178.15 178.37 2kob h GLN 113 N 0.82 0.93 -0.94 2.37 5.75 -0.81 -1.96 115.11 121.27 2kob h GLN 113 Ca 0.14 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 2kob h GLN 113 Cb 0.58 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.91 2kob h GLN 113 CO 0.04 0.73 0.62 0.77 -2.65 0.00 0.00 178.83 178.34 2kob h SER 114 N 0.92 1.07 -0.19 -0.69 0.02 -0.52 0.80 113.55 114.96 2kob h SER 114 Ca 0.22 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2kob h SER 114 Cb 0.12 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2kob h SER 114 CO -0.03 0.77 0.10 0.40 -1.14 0.00 0.00 176.83 176.93 2kob h ILE 115 N 1.26 1.11 0.00 3.27 2.04 -0.92 -1.07 117.51 123.20 2kob h ILE 115 Ca 0.35 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2kob h ILE 115 Cb -0.12 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2kob h ILE 115 CO -0.08 0.10 0.00 0.40 0.00 0.00 0.00 178.15 178.57 2kob h ILE 116 N 0.20 0.00 0.02 -0.67 1.08 -1.06 -0.16 117.51 116.91 2kob h ILE 116 Ca 0.07 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2kob h ILE 116 Cb 0.08 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 2kob h ILE 116 CO -0.01 0.00 -0.01 0.78 -0.69 0.00 0.00 178.15 178.22 2kob h ASN 117 N 0.00 -0.02 0.84 1.72 4.21 -0.17 -3.37 115.58 118.79 2kob h ASN 117 Ca 0.00 -0.76 -0.24 0.00 1.21 0.00 0.00 56.30 56.52 2kob h ASN 117 Cb 0.49 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.66 2kob h ASN 117 CO 0.00 0.80 -1.21 -0.33 -1.29 0.00 0.00 177.43 175.40 2kob h GLU 118 N -0.89 0.01 -6.34 0.81 5.08 -1.14 -3.43 114.58 108.68 2kob h GLU 118 Ca -0.00 -0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.77 2kob h GLU 118 Cb 0.78 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 2kob h GLU 118 CO 0.00 0.87 1.18 0.99 -1.00 0.00 0.00 179.01 181.05 2kob s THR 119 N -2.68 3.65 -0.87 1.13 2.01 -0.08 -4.92 115.64 113.89 2kob s THR 119 Ca -0.01 0.69 -0.00 0.00 0.31 0.00 0.00 61.69 62.68 2kob s THR 119 Cb 0.09 -3.80 0.22 0.00 0.01 0.00 0.00 72.50 69.03 2kob s THR 119 CO 0.82 -0.46 0.80 0.29 -0.69 0.00 0.00 174.62 175.39 2kob n LYS 120 N 8.09 2.67 -2.59 4.92 5.02 -1.26 -4.83 118.16 130.19 2kob n LYS 120 Ca 0.20 -4.51 -0.13 0.00 -2.02 0.00 0.00 58.31 51.85 2kob n LYS 120 Cb 0.47 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 2kob n LYS 120 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kob n LEU 121 N 2.03 0.00 -4.69 -0.35 7.99 -1.26 -5.08 117.00 115.64 2kob n LEU 121 Ca 0.23 -1.41 -0.44 0.00 -0.01 0.00 0.00 56.01 54.38 2kob n LEU 121 Cb 0.37 -0.04 -0.03 0.00 -0.11 0.00 0.00 43.42 43.61 2kob n LEU 121 CO 0.38 -0.44 1.10 0.00 -1.51 0.00 0.00 177.39 176.92 2kob n ALA 122 N -2.46 1.51 -0.21 -1.18 0.00 -1.26 -4.78 120.51 112.13 2kob n ALA 122 Ca -0.08 0.41 0.14 0.00 0.00 0.00 0.00 53.44 53.90 2kob n ALA 122 Cb 0.31 -2.33 0.45 0.00 0.00 0.00 0.00 19.45 17.88 2kob n ALA 122 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kob h LYS 123 N 4.65 0.52 -0.71 0.00 1.57 -1.97 0.21 116.57 120.83 2kob h LYS 123 Ca -0.45 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.35 2kob h LYS 123 Cb 1.26 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 2kob h LYS 123 CO 0.79 0.34 0.42 -0.97 -0.57 0.00 0.00 179.45 179.46 2kob h ASN 124 N 0.53 0.65 0.27 0.86 -1.24 -1.98 0.07 115.58 114.75 2kob h ASN 124 Ca 0.41 0.02 -0.18 0.00 0.71 0.00 0.00 56.30 57.26 2kob h ASN 124 Cb 0.81 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 2kob h ASN 124 CO -0.16 0.43 -0.72 0.74 -1.29 0.00 0.00 177.43 176.43 2kob h THR 125 N 0.78 1.38 -0.74 -3.57 2.02 -1.05 -2.33 112.91 109.40 2kob h THR 125 Ca 0.31 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.36 2kob h THR 125 Cb 0.14 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 2kob h THR 125 CO -0.16 0.64 0.44 -0.07 0.37 0.00 0.00 175.52 176.74 2kob h LEU 126 N 0.26 0.90 -0.41 2.58 3.38 -0.32 0.25 115.31 121.95 2kob h LEU 126 Ca -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2kob h LEU 126 Cb 1.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2kob h LEU 126 CO 0.12 0.70 0.27 0.11 0.09 0.00 0.00 178.44 179.73 2kob h LYS 127 N 1.02 0.54 -0.47 1.13 1.57 -0.90 -1.85 116.57 117.60 2kob h LYS 127 Ca 0.27 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 2kob h LYS 127 Cb -0.03 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 2kob h LYS 127 CO -0.05 0.37 0.26 0.00 -0.57 0.00 0.00 179.45 179.45 2kob h ALA 128 N 1.14 0.60 -0.21 3.86 0.00 -0.79 0.35 119.26 124.21 2kob h ALA 128 Ca 0.15 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2kob h ALA 128 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2kob h ALA 128 CO -0.03 -0.08 0.10 0.82 0.00 0.00 0.00 179.25 180.06 2kob h ILE 129 N 0.51 0.99 -0.04 0.00 2.04 -0.79 0.10 117.51 120.32 2kob h ILE 129 Ca 0.20 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 2kob h ILE 129 Cb 0.07 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2kob h ILE 129 CO -0.12 0.04 0.02 -0.09 0.00 0.00 0.00 178.15 178.00 2kob h ARG 130 N 0.22 0.05 -0.78 2.37 1.12 -0.83 -2.28 114.38 114.25 2kob h ARG 130 Ca 0.09 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.91 2kob h ARG 130 Cb 0.02 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.94 2kob h ARG 130 CO -0.06 0.18 0.35 -0.91 -3.11 0.00 0.00 179.97 176.42 2kob h ASN 131 N -0.08 1.04 -0.80 -3.80 2.35 -0.18 -0.68 115.58 113.44 2kob h ASN 131 Ca 0.01 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2kob h ASN 131 Cb 0.14 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 2kob h ASN 131 CO -0.00 0.89 0.52 0.74 -1.65 0.00 0.00 177.43 177.93 2kob h THR 132 N 1.12 1.17 -0.40 2.81 2.02 -0.85 -0.74 112.91 118.05 2kob h THR 132 Ca 0.27 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2kob h THR 132 Cb 0.15 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 2kob h THR 132 CO -0.03 0.19 0.05 0.00 0.37 0.00 0.00 175.52 176.10 2kob h ALA 133 N 1.31 0.53 -0.02 6.16 0.00 -0.73 -1.20 119.26 125.30 2kob h ALA 133 Ca 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kob h ALA 133 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2kob h ALA 133 CO -0.08 0.25 -0.23 0.66 0.00 0.00 0.00 179.25 179.85 2kob h SER 134 N 0.51 0.03 0.17 0.00 4.64 -0.82 -0.80 113.55 117.27 2kob h SER 134 Ca 0.12 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 2kob h SER 134 Cb 0.39 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2kob h SER 134 CO 0.01 0.27 -0.60 1.56 -0.87 0.00 0.00 176.83 177.20 2kob h GLN 135 N 0.03 0.43 -0.21 4.77 7.50 -0.80 -1.59 115.11 125.24 2kob h GLN 135 Ca 0.00 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 58.85 2kob h GLN 135 Cb 0.43 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 2kob h GLN 135 CO 0.03 0.90 0.09 0.82 -1.50 0.00 0.00 178.83 179.17 2kob h ILE 136 N 0.32 1.16 -0.59 2.54 2.04 -0.17 -0.59 117.51 122.22 2kob h ILE 136 Ca -0.00 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 2kob h ILE 136 Cb 1.13 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2kob h ILE 136 CO 0.10 0.16 0.09 -0.26 0.00 0.00 0.00 178.15 178.24 2kob h PHE 137 N 0.20 1.01 0.00 1.37 0.04 -1.13 -1.91 116.94 116.51 2kob h PHE 137 Ca 0.07 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.63 2kob h PHE 137 Cb 0.17 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2kob h PHE 137 CO -0.01 0.86 -0.40 0.07 -0.60 0.00 0.00 178.31 178.23 2kob h ARG 138 N 0.90 0.00 -0.14 1.51 0.11 -1.18 -0.67 114.38 114.91 2kob h ARG 138 Ca 0.18 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.17 2kob h ARG 138 Cb 0.41 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 2kob h ARG 138 CO 0.01 0.40 -0.32 1.25 0.10 0.00 0.00 179.97 181.42 2kob h LEU 139 N 0.00 0.27 -0.30 0.08 5.85 -0.63 -1.93 115.31 118.65 2kob h LEU 139 Ca -0.00 -0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.43 2kob h LEU 139 Cb 1.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2kob h LEU 139 CO 0.05 0.58 -0.68 0.00 -0.34 0.00 0.00 178.44 178.06 2kob h ALA 140 N 1.44 0.47 -0.35 1.25 0.00 -0.63 -3.19 119.26 118.25 2kob h ALA 140 Ca 0.03 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.42 2kob h ALA 140 Cb 0.68 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2kob h ALA 140 CO 0.05 0.70 0.12 0.82 0.00 0.00 0.00 179.25 180.94 2kob h ILE 141 N 0.50 0.90 0.00 0.00 2.04 -0.74 0.11 117.51 120.32 2kob h ILE 141 Ca -0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2kob h ILE 141 Cb 1.28 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2kob h ILE 141 CO 0.14 0.05 0.00 -1.84 0.00 0.00 0.00 178.15 176.49 2kob n GLU 142 N -5.02 0.17 -0.16 2.37 0.28 -0.76 -0.56 120.64 116.96 2kob n GLU 142 Ca 0.01 0.16 0.05 0.00 -0.16 0.00 0.00 57.16 57.22 2kob n GLU 142 Cb 0.13 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.64 2kob n GLU 142 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kob n ASN 143 N -1.34 2.85 -1.66 -1.84 3.02 -0.68 -4.97 115.26 110.64 2kob n ASN 143 Ca 0.07 -1.97 -0.19 0.00 -0.03 0.00 0.00 54.58 52.46 2kob n ASN 143 Cb 0.14 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 2kob n ASN 143 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kob n ARG 144 N 0.49 -1.36 0.09 3.52 1.74 0.28 -4.86 116.66 116.55 2kob n ARG 144 Ca 0.11 1.08 -0.15 0.00 -0.77 0.00 0.00 57.85 58.12 2kob n ARG 144 Cb 0.41 -5.45 -0.09 0.00 -1.02 0.00 0.00 32.46 26.31 2kob n ARG 144 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kob h ALA 145 N 0.29 0.22 -2.71 7.54 0.00 -1.03 -3.46 119.26 120.11 2kob h ALA 145 Ca -0.40 -0.80 -0.14 0.00 0.00 0.00 0.00 54.91 53.57 2kob h ALA 145 Cb 1.26 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.85 2kob h ALA 145 CO 0.55 0.88 -0.52 -1.50 0.00 0.00 0.00 179.25 178.67 2kob s ILE 146 N -2.96 0.11 -0.44 0.00 2.07 -1.22 -4.95 121.20 113.80 2kob s ILE 146 Ca -0.05 -0.87 0.13 0.00 -1.41 0.00 0.00 60.65 58.44 2kob s ILE 146 Cb 0.08 -0.61 0.35 0.00 0.13 0.00 0.00 42.46 42.41 2kob s ILE 146 CO 0.88 -0.48 1.28 -0.67 -1.91 0.00 0.00 174.94 174.03 2kob n ASP 147 N 1.17 3.12 -3.83 4.50 2.03 -1.26 -3.85 116.55 118.43 2kob n ASP 147 Ca -0.21 -2.51 -0.12 0.00 0.52 0.00 0.00 54.79 52.47 2kob n ASP 147 Cb 0.57 -0.34 -0.11 0.00 -0.72 0.00 0.00 41.12 40.51 2kob n ASP 147 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2kob s PHE 148 N -1.91 -0.11 -0.56 -0.67 5.36 -1.26 -5.11 117.98 113.72 2kob s PHE 148 Ca 0.29 0.24 0.03 0.00 -0.96 0.00 0.00 56.93 56.53 2kob s PHE 148 Cb 0.21 0.02 0.14 0.00 -0.34 0.00 0.00 43.02 43.05 2kob s PHE 148 CO 0.10 -0.18 0.31 1.21 -1.46 0.00 0.00 175.22 175.20 2kob s ASN 149 N -0.54 4.48 0.53 6.13 3.84 -1.26 -4.94 114.94 123.18 2kob s ASN 149 Ca -0.06 -3.12 0.18 0.00 0.21 0.00 0.00 52.86 50.07 2kob s ASN 149 Cb -0.04 -1.66 1.36 0.00 -0.55 0.00 0.00 41.25 40.36 2kob s ASN 149 CO 0.01 -0.22 2.17 -0.65 -2.79 0.00 0.00 177.10 175.61 2kob h PRO 150 N 6.40 0.00 0.00 0.43 0.11 -1.98 -2.71 132.00 134.25 2kob h PRO 150 Ca -0.04 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 2kob h PRO 150 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2kob h PRO 150 CO 0.70 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 178.09 2kob h ALA 151 N 2.00 1.11 0.00 -0.75 0.00 -1.92 -2.42 119.26 117.29 2kob h ALA 151 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kob h ALA 151 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kob h ALA 151 CO -0.00 0.50 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 2kob n ASP 152 N -3.74 0.74 -0.37 0.00 5.68 -1.02 -1.99 116.55 115.85 2kob n ASP 152 Ca -0.01 0.58 0.14 0.00 -0.50 0.00 0.00 54.79 55.00 2kob n ASP 152 Cb 0.48 -0.77 0.56 0.00 -1.14 0.00 0.00 41.12 40.25 2kob n ASP 152 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2kob n TYR 153 N -2.20 0.00 -2.98 2.11 4.01 -0.91 -4.80 117.16 112.39 2kob n TYR 153 Ca 0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 2kob n TYR 153 Cb 0.40 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.36 2kob n TYR 153 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2kob s VAL 154 N -2.10 4.97 -0.09 -0.72 1.01 -0.84 -5.04 120.40 117.59 2kob s VAL 154 Ca 0.37 1.50 -0.04 0.00 0.00 0.00 0.00 61.98 63.81 2kob s VAL 154 Cb 0.21 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2kob s VAL 154 CO 0.37 0.13 0.07 -0.60 0.00 0.00 0.00 175.10 175.08 2kob s ARG 155 N 1.53 3.19 0.10 2.72 3.52 -1.26 -5.05 118.95 123.71 2kob s ARG 155 Ca 0.37 -0.29 -0.20 0.00 -0.13 0.00 0.00 55.73 55.48 2kob s ARG 155 Cb -0.17 -2.97 -0.07 0.00 -1.56 0.00 0.00 34.95 30.18 2kob s ARG 155 CO 0.15 0.73 0.61 0.42 -0.81 0.00 0.00 175.30 176.40 2kob s ILE 156 N -0.98 4.68 0.15 4.11 1.09 -1.26 -5.01 121.20 123.98 2kob s ILE 156 Ca 0.15 1.27 -0.33 0.00 -1.10 0.00 0.00 60.65 60.64 2kob s ILE 156 Cb -0.12 -3.92 -0.13 0.00 -1.06 0.00 0.00 42.46 37.23 2kob s ILE 156 CO 0.04 0.50 1.67 -2.65 -0.10 0.00 0.00 174.94 174.41 2kob n PRO 157 N 1.56 2.39 0.00 2.79 -0.02 -1.26 -3.71 135.00 136.74 2kob n PRO 157 Ca -0.09 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2kob n PRO 157 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2kob n PRO 157 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kob n LYS 158 N 4.08 0.00 -3.11 -0.52 5.02 -1.26 -4.88 118.16 117.49 2kob n LYS 158 Ca 0.17 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.07 2kob n LYS 158 Cb 0.31 -0.05 -0.05 0.00 -0.02 0.00 0.00 35.03 35.22 2kob n LYS 158 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kob s ILE 159 N 0.00 5.04 0.00 -0.18 -1.09 -1.24 -5.03 121.20 118.70 2kob s ILE 159 Ca 0.00 1.25 0.00 0.00 -2.23 0.00 0.00 60.65 59.67 2kob s ILE 159 Cb 0.00 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 2kob s ILE 159 CO 0.00 0.18 0.00 0.00 -1.23 0.00 0.00 174.94 173.89 2kob n ALA 160 N 4.49 0.00 -2.85 9.38 0.00 -1.26 -4.31 120.51 125.96 2kob n ALA 160 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 2kob n ALA 160 Cb 0.50 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.04 2kob n ALA 160 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kob n LEU 161 N 0.00 0.00 0.00 0.00 4.77 -1.26 -5.02 117.00 115.49 2kob n LEU 161 Ca 0.00 -2.28 0.02 0.00 -0.03 0.00 0.00 56.01 53.72 2kob n LEU 161 Cb 0.00 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 2kob n LEU 161 CO 0.00 -0.82 -0.03 -0.62 -1.33 0.00 0.00 177.39 174.59 2kob n GLU 162 N -2.48 -0.30 -3.77 3.23 1.02 -1.26 -4.70 120.64 112.39 2kob n GLU 162 Ca 0.16 0.20 -0.37 0.00 -0.02 0.00 0.00 57.16 57.13 2kob n GLU 162 Cb 0.58 -0.37 -0.13 0.00 -0.02 0.00 0.00 31.44 31.51 2kob n GLU 162 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kob s HIS 163 N -0.28 3.10 0.00 -0.32 -3.43 -1.26 -4.87 115.29 108.23 2kob s HIS 163 Ca 0.00 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.52 2kob s HIS 163 Cb 0.00 -2.23 0.00 0.00 -1.43 0.00 0.00 32.58 28.92 2kob s HIS 163 CO 0.00 -0.49 0.00 0.72 -2.00 0.00 0.00 174.74 172.97 2kob n HIS 164 N 4.89 0.00 -0.08 0.38 8.25 -1.26 -4.84 115.22 122.55 2kob n HIS 164 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2kob n HIS 164 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2kob n HIS 164 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kob n HIS 165 N -0.44 0.00 -2.94 4.41 -0.00 -1.26 -5.03 115.22 109.96 2kob n HIS 165 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 2kob n HIS 165 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.05 2kob n HIS 165 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kob n HIS 166 N -0.38 -1.45 -3.66 1.57 -0.00 -1.26 -5.04 115.22 105.00 2kob n HIS 166 Ca 0.00 0.61 -0.06 0.00 0.46 0.00 0.00 57.72 58.73 2kob n HIS 166 Cb 0.02 -3.97 -0.07 0.00 -0.12 0.00 0.00 29.99 25.85 2kob n HIS 166 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kob s HIS 167 N -3.23 -1.03 -1.71 1.57 5.65 -1.26 -5.21 115.29 110.08 2kob s HIS 167 Ca 0.03 1.90 0.14 0.00 0.25 0.00 0.00 55.06 57.37 2kob s HIS 167 Cb -0.01 0.54 0.11 0.00 -1.18 0.00 0.00 32.58 32.04 2kob s HIS 167 CO 0.47 -0.55 0.93 -2.39 -0.65 0.00 0.00 174.74 172.56