#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 6.49 0.73 0.55 1.11 -1.26 -5.08 116.67 119.21 2kob s ASP 62 Ca 0.00 0.58 -0.10 0.00 0.18 0.00 0.00 52.55 53.21 2kob s ASP 62 Cb 0.00 -2.18 0.04 0.00 1.07 0.00 0.00 42.92 41.86 2kob s ASP 62 CO 0.00 0.19 1.09 -0.44 1.18 0.00 0.00 175.17 177.18 2kob s SER 63 N -0.04 5.03 0.44 0.27 0.01 -1.26 -4.74 113.70 113.40 2kob s SER 63 Ca 0.17 0.84 0.11 0.00 1.31 0.00 0.00 55.95 58.38 2kob s SER 63 Cb -0.13 -1.53 1.00 0.00 0.21 0.00 0.00 66.02 65.56 2kob s SER 63 CO 0.05 -1.54 2.06 0.15 0.41 0.00 0.00 173.24 174.37 2kob h PHE 64 N -0.72 0.38 -0.90 2.43 3.57 -1.64 0.06 116.94 120.12 2kob h PHE 64 Ca -0.45 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.11 2kob h PHE 64 Cb 1.29 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 2kob h PHE 64 CO 0.40 0.22 0.57 0.78 -2.23 0.00 0.00 178.31 178.06 2kob h GLY 65 N 0.39 1.34 1.07 2.40 0.00 -1.64 0.24 103.07 106.86 2kob h GLY 65 Ca 0.15 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 2kob h GLY 65 CO -0.03 0.33 -0.61 -1.80 0.00 0.00 0.00 176.54 174.43 2kob h ASP 66 N 1.08 0.85 -0.85 0.19 1.82 -1.31 -2.40 116.42 115.80 2kob h ASP 66 Ca 0.38 -0.60 0.01 0.00 -0.39 0.00 0.00 57.03 56.43 2kob h ASP 66 Cb 0.09 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 39.81 2kob h ASP 66 CO -0.15 1.30 0.56 -0.50 -1.61 0.00 0.00 179.24 178.84 2kob h TRP 67 N 0.44 1.05 -0.51 0.28 4.06 -0.84 0.20 115.95 120.63 2kob h TRP 67 Ca -0.03 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2kob h TRP 67 Cb 1.23 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 29.01 2kob h TRP 67 CO 0.09 0.65 0.30 0.00 -3.56 0.00 0.00 178.44 175.92 2kob h ALA 68 N 1.48 0.65 -0.77 1.49 0.00 -0.43 -0.13 119.26 121.56 2kob h ALA 68 Ca 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2kob h ALA 68 Cb -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 2kob h ALA 68 CO -0.08 0.16 0.38 1.49 0.00 0.00 0.00 179.25 181.20 2kob h GLU 69 N 0.68 1.10 -0.63 0.00 4.81 -0.76 -1.82 114.58 117.96 2kob h GLU 69 Ca 0.18 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2kob h GLU 69 Cb 0.02 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 2kob h GLU 69 CO -0.03 0.85 0.36 0.87 -0.73 0.00 0.00 179.01 180.32 2kob h LYS 70 N 1.07 0.66 0.25 1.92 1.57 -0.08 0.22 116.57 122.18 2kob h LYS 70 Ca 0.26 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2kob h LYS 70 Cb 0.10 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2kob h LYS 70 CO -0.03 0.43 -0.12 0.35 -0.57 0.00 0.00 179.45 179.51 2kob h PHE 71 N 0.68 -0.31 -0.28 -1.35 3.57 -0.58 0.14 116.94 118.81 2kob h PHE 71 Ca 0.27 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.77 2kob h PHE 71 Cb 0.13 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2kob h PHE 71 CO -0.07 -0.18 0.17 -0.07 -2.23 0.00 0.00 178.31 175.93 2kob h LEU 72 N -0.36 0.29 -0.46 0.59 -0.00 -1.09 0.20 115.31 114.48 2kob h LEU 72 Ca -0.03 -0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.89 2kob h LEU 72 Cb 0.27 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 40.82 2kob h LEU 72 CO 0.06 0.21 0.19 0.50 -0.00 0.00 0.00 178.44 179.39 2kob h LYS 73 N 0.35 0.37 -0.31 1.13 3.64 -0.40 0.30 116.57 121.65 2kob h LYS 73 Ca 0.10 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2kob h LYS 73 Cb -0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2kob h LYS 73 CO -0.04 0.24 -0.13 0.77 -2.27 0.00 0.00 179.45 178.03 2kob h SER 74 N 0.38 0.64 0.24 4.20 0.02 -0.41 -2.82 113.55 115.80 2kob h SER 74 Ca 0.21 -0.40 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 2kob h SER 74 Cb 0.18 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2kob h SER 74 CO -0.19 0.90 -0.42 0.11 -1.14 0.00 0.00 176.83 176.08 2kob h LYS 75 N 0.39 0.24 -0.02 3.45 1.79 -0.20 0.16 116.57 122.38 2kob h LYS 75 Ca 0.07 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2kob h LYS 75 Cb 0.65 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 2kob h LYS 75 CO 0.04 0.63 -0.05 1.49 -1.08 0.00 0.00 179.45 180.48 2kob h GLU 76 N 0.20 -0.08 0.00 3.15 4.81 -0.37 -1.75 114.58 120.54 2kob h GLU 76 Ca 0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2kob h GLU 76 Cb 0.84 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2kob h GLU 76 CO 0.07 -0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.29 2kob n ALA 77 N -2.26 2.03 0.70 2.92 0.00 -1.02 -2.92 120.51 119.97 2kob n ALA 77 Ca -0.06 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2kob n ALA 77 Cb 0.10 -1.36 0.48 0.00 0.00 0.00 0.00 19.45 18.66 2kob n ALA 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kob n ASP 78 N -1.51 0.29 0.00 0.00 2.03 0.53 -4.88 116.55 113.01 2kob n ASP 78 Ca 0.05 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.91 2kob n ASP 78 Cb 0.26 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 2kob n ASP 78 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kob n GLY 79 N 0.88 1.60 3.94 0.27 0.00 -1.15 -5.05 105.19 105.68 2kob n GLY 79 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 5.11 0.87 1.61 -7.23 -1.23 -5.11 120.40 112.43 2kob s VAL 80 Ca 0.00 -1.04 -0.12 0.00 -1.81 0.00 0.00 61.98 59.01 2kob s VAL 80 Cb 0.00 -3.76 0.15 0.00 0.56 0.00 0.00 36.38 33.32 2kob s VAL 80 CO 0.00 -0.31 1.22 -0.94 -0.31 0.00 0.00 175.10 174.76 2kob s SER 81 N -3.89 3.79 0.13 4.85 1.04 -1.26 -4.86 113.70 113.51 2kob s SER 81 Ca 0.34 0.36 -0.13 0.00 0.48 0.00 0.00 55.95 57.00 2kob s SER 81 Cb -0.09 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.38 2kob s SER 81 CO 0.28 -2.30 1.51 0.58 0.98 0.00 0.00 173.24 174.29 2kob h VAL 82 N -1.26 1.28 -0.94 5.02 2.07 -1.99 -0.46 116.25 119.97 2kob h VAL 82 Ca -0.44 -1.32 0.03 0.00 0.82 0.00 0.00 66.70 65.79 2kob h VAL 82 Cb 1.27 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 2kob h VAL 82 CO 0.48 0.44 0.62 0.77 0.02 0.00 0.00 177.57 179.90 2kob h SER 83 N 0.65 1.02 -0.12 0.57 4.64 -1.99 0.35 113.55 118.68 2kob h SER 83 Ca 0.09 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2kob h SER 83 Cb 0.74 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2kob h SER 83 CO 0.06 0.71 -0.01 -0.61 -0.87 0.00 0.00 176.83 176.11 2kob h GLN 84 N 1.19 0.22 -0.56 4.77 5.75 -1.87 -2.22 115.11 122.39 2kob h GLN 84 Ca 0.37 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 2kob h GLN 84 Cb -0.01 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 2kob h GLN 84 CO -0.11 0.47 0.26 1.25 -2.65 0.00 0.00 178.83 178.06 2kob h LEU 85 N -0.06 0.74 -1.03 -2.39 7.12 -0.44 -2.46 115.31 116.79 2kob h LEU 85 Ca 0.03 -0.13 -0.02 0.00 0.13 0.00 0.00 57.88 57.89 2kob h LEU 85 Cb 0.38 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 40.28 2kob h LEU 85 CO 0.01 0.67 0.45 0.78 -0.13 0.00 0.00 178.44 180.21 2kob h ASN 86 N 0.76 1.01 -0.56 1.25 -0.26 -0.32 -2.03 115.58 115.43 2kob h ASN 86 Ca 0.19 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2kob h ASN 86 Cb 0.13 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.10 2kob h ASN 86 CO -0.02 0.81 0.36 0.28 -1.06 0.00 0.00 177.43 177.80 2kob h SER 87 N 1.13 0.65 -0.65 5.81 0.02 -0.94 0.11 113.55 119.68 2kob h SER 87 Ca 0.29 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2kob h SER 87 Cb 0.02 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2kob h SER 87 CO -0.05 0.48 0.29 1.88 -1.14 0.00 0.00 176.83 178.29 2kob h TYR 88 N 0.76 0.98 -0.42 3.45 0.05 -1.11 -2.09 116.97 118.59 2kob h TYR 88 Ca 0.20 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 2kob h TYR 88 Cb -0.07 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.35 2kob h TYR 88 CO -0.03 0.74 -0.09 0.87 -1.05 0.00 0.00 178.16 178.60 2kob h LYS 89 N 0.97 0.74 -0.32 4.88 1.57 -0.62 -1.49 116.57 122.30 2kob h LYS 89 Ca 0.23 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2kob h LYS 89 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2kob h LYS 89 CO -0.02 0.81 0.16 -0.97 -0.57 0.00 0.00 179.45 178.85 2kob h ASN 90 N 0.67 0.38 0.02 0.86 -0.73 -0.17 0.39 115.58 117.01 2kob h ASN 90 Ca 0.12 -0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.26 2kob h ASN 90 Cb 0.55 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.04 2kob h ASN 90 CO 0.03 0.33 -0.01 1.88 -0.37 0.00 0.00 177.43 179.29 2kob h TYR 91 N 0.44 -0.03 0.05 0.67 0.05 -0.80 -2.62 116.97 114.72 2kob h TYR 91 Ca 0.11 -0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.63 2kob h TYR 91 Cb 0.04 0.01 0.02 0.00 1.01 0.00 0.00 36.73 37.82 2kob h TYR 91 CO 0.00 0.56 -1.05 0.00 -1.05 0.00 0.00 178.16 176.62 2kob h ARG 93 N 0.25 -0.03 0.00 0.00 2.43 -0.39 -2.88 114.38 113.76 2kob h ARG 93 Ca -0.15 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2kob h ARG 93 Cb 1.73 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 2kob h ARG 93 CO 0.20 0.64 -0.00 -0.91 -1.51 0.00 0.00 179.97 178.39 2kob h ASN 94 N -0.94 -0.00 0.00 -3.80 4.21 -1.57 -3.29 115.58 110.18 2kob h ASN 94 Ca -0.00 -0.87 -0.10 0.00 1.21 0.00 0.00 56.30 56.54 2kob h ASN 94 Cb 0.69 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2kob h ASN 94 CO 0.01 0.88 -0.66 0.45 -1.29 0.00 0.00 177.43 176.82 2kob h HIS 95 N -0.90 0.00 -0.33 1.19 3.86 -1.32 -3.37 115.15 114.28 2kob h HIS 95 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2kob h HIS 95 Cb 0.88 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.27 2kob h HIS 95 CO 0.24 0.79 0.17 1.28 0.86 0.00 0.00 177.93 181.27 2kob n LEU 96 N -4.56 3.90 -0.09 2.43 4.77 0.55 -4.46 117.00 119.54 2kob n LEU 96 Ca -0.17 -2.02 -0.07 0.00 -0.03 0.00 0.00 56.01 53.73 2kob n LEU 96 Cb 0.44 -0.61 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2kob n LEU 96 CO 0.17 0.61 0.92 0.77 -1.33 0.00 0.00 177.39 178.52 2kob h SER 97 N 0.74 0.07 -0.71 -1.43 4.64 -1.58 -0.49 113.55 114.79 2kob h SER 97 Ca 0.16 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.57 2kob h SER 97 Cb 1.50 0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.60 2kob h SER 97 CO 0.35 0.08 0.47 1.55 -0.87 0.00 0.00 176.83 178.40 2kob h PRO 98 N 0.22 0.81 -0.13 4.77 0.13 -1.90 -2.19 132.00 133.71 2kob h PRO 98 Ca 0.15 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.11 2kob h PRO 98 Cb 0.15 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 2kob h PRO 98 CO -0.18 0.54 -0.47 -0.07 -0.23 0.00 0.00 178.00 177.59 2kob h LEU 99 N 0.83 0.37 -2.01 1.56 4.07 -1.67 -2.73 115.31 115.73 2kob h LEU 99 Ca 0.29 -0.17 0.07 0.00 0.08 0.00 0.00 57.88 58.14 2kob h LEU 99 Cb 0.09 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 2kob h LEU 99 CO -0.08 0.79 0.18 0.22 -1.08 0.00 0.00 178.44 178.47 2kob h TYR 100 N 0.28 0.00 0.00 1.13 5.03 -0.46 -0.64 116.97 122.31 2kob h TYR 100 Ca 0.02 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2kob h TYR 100 Cb 0.94 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.22 2kob h TYR 100 CO 0.02 0.00 -0.61 1.98 -1.32 0.00 0.00 178.16 178.23 2kob h MET 101 N 0.00 0.00 -6.85 1.82 4.05 -1.45 -2.76 114.93 109.75 2kob h MET 101 Ca 0.12 0.00 -0.46 0.00 -0.28 0.00 0.00 59.70 59.08 2kob h MET 101 Cb 0.49 0.00 0.04 0.00 -0.80 0.00 0.00 31.60 31.33 2kob h MET 101 CO -0.00 0.00 -0.00 0.15 0.23 0.00 0.00 176.91 177.29 2kob s LYS 102 N -3.27 2.95 0.56 0.39 1.02 -0.25 -4.96 119.74 116.19 2kob s LYS 102 Ca 0.03 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.69 2kob s LYS 102 Cb 0.09 -2.46 0.05 0.00 -0.52 0.00 0.00 37.83 35.00 2kob s LYS 102 CO 0.73 -0.46 0.77 0.45 -0.92 0.00 0.00 175.35 175.93 2kob s SER 103 N -4.27 5.17 0.20 2.83 0.15 -1.26 -1.95 113.70 114.57 2kob s SER 103 Ca 0.51 -0.24 -0.11 0.00 0.70 0.00 0.00 55.95 56.81 2kob s SER 103 Cb -0.10 -0.56 0.15 0.00 -1.71 0.00 0.00 66.02 63.80 2kob s SER 103 CO 0.40 -1.21 1.85 -0.07 1.20 0.00 0.00 173.24 175.40 2kob h LEU 104 N 0.09 0.69 -0.53 3.45 3.38 -1.92 -0.83 115.31 119.64 2kob h LEU 104 Ca -0.39 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2kob h LEU 104 Cb 1.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2kob h LEU 104 CO 0.47 0.48 0.00 -0.24 0.09 0.00 0.00 178.44 179.25 2kob n SER 105 N -4.68 0.80 -0.00 -0.43 2.88 -1.26 -3.22 113.62 107.71 2kob n SER 105 Ca 0.06 -1.40 0.09 0.00 -1.33 0.00 0.00 58.87 56.29 2kob n SER 105 Cb 0.06 -0.02 -0.12 0.00 -0.75 0.00 0.00 64.21 63.37 2kob n SER 105 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kob n GLU 106 N -0.32 0.73 -2.97 -1.46 4.07 -0.35 -4.96 120.64 115.38 2kob n GLU 106 Ca 0.18 -0.07 -0.39 0.00 -0.06 0.00 0.00 57.16 56.82 2kob n GLU 106 Cb 0.22 -1.41 -0.06 0.00 -0.06 0.00 0.00 31.44 30.13 2kob n GLU 106 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2kob s ILE 107 N -3.00 4.35 0.12 6.31 1.01 -0.98 -4.86 121.20 124.16 2kob s ILE 107 Ca 0.01 1.71 0.06 0.00 0.00 0.00 0.00 60.65 62.44 2kob s ILE 107 Cb 0.13 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2kob s ILE 107 CO 0.78 0.49 -0.04 -0.76 0.00 0.00 0.00 174.94 175.42 2kob s LEU 108 N -1.22 3.27 0.55 2.97 1.43 -1.26 -5.00 118.68 119.41 2kob s LEU 108 Ca 0.37 -0.31 0.25 0.00 -1.03 0.00 0.00 54.13 53.40 2kob s LEU 108 Cb -0.23 -2.01 1.56 0.00 0.03 0.00 0.00 46.19 45.54 2kob s LEU 108 CO 0.26 0.15 2.18 1.55 0.23 0.00 0.00 176.35 180.72 2kob h PRO 109 N 3.30 0.00 0.00 1.29 0.13 -1.98 -2.11 132.00 132.63 2kob h PRO 109 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 2kob h PRO 109 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kob h PRO 109 CO 0.57 0.04 -0.36 0.00 -0.23 0.00 0.00 178.00 178.01 2kob h ALA 110 N 1.96 1.03 0.53 -0.56 0.00 -1.95 -1.26 119.26 119.02 2kob h ALA 110 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2kob h ALA 110 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kob h ALA 110 CO 0.00 0.45 -0.37 -0.44 0.00 0.00 0.00 179.25 178.90 2kob h ASP 111 N 0.00 -0.94 -0.32 0.00 3.32 -1.79 0.11 116.42 116.80 2kob h ASP 111 Ca -0.00 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 2kob h ASP 111 Cb 0.85 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2kob h ASP 111 CO 0.05 -0.56 -0.17 0.40 -1.72 0.00 0.00 179.24 177.24 2kob h ILE 112 N -0.87 1.27 -0.07 0.35 2.04 -1.65 -2.66 117.51 115.92 2kob h ILE 112 Ca -0.06 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.55 2kob h ILE 112 Cb 0.72 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2kob h ILE 112 CO 0.04 0.43 -0.03 -0.61 0.00 0.00 0.00 178.15 177.98 2kob h GLN 113 N 0.70 -0.01 -0.37 2.37 5.75 -1.05 -1.29 115.11 121.21 2kob h GLN 113 Ca 0.11 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 2kob h GLN 113 Cb 0.67 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 2kob h GLN 113 CO 0.05 -0.01 -0.03 0.66 -2.65 0.00 0.00 178.83 176.85 2kob h SER 114 N -0.02 0.57 0.33 -0.69 4.64 -0.70 0.03 113.55 117.72 2kob h SER 114 Ca 0.04 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2kob h SER 114 Cb 0.07 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2kob h SER 114 CO -0.09 0.66 -0.16 0.40 -0.87 0.00 0.00 176.83 176.77 2kob h ILE 115 N 0.56 0.68 -0.80 0.95 2.04 -1.11 -1.66 117.51 118.18 2kob h ILE 115 Ca 0.11 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2kob h ILE 115 Cb 0.40 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2kob h ILE 115 CO 0.02 0.01 0.53 0.40 0.00 0.00 0.00 178.15 179.10 2kob h ILE 116 N -0.46 1.21 -0.18 -0.67 1.08 -0.91 -0.09 117.51 117.49 2kob h ILE 116 Ca -0.05 -0.40 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 2kob h ILE 116 Cb 0.35 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 2kob h ILE 116 CO 0.07 0.21 -0.18 -1.13 -0.69 0.00 0.00 178.15 176.43 2kob h ASN 117 N 1.09 0.29 -0.28 1.72 -0.73 -0.88 -2.79 115.58 114.00 2kob h ASN 117 Ca 0.29 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.39 2kob h ASN 117 Cb -0.11 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.40 2kob h ASN 117 CO -0.06 0.49 0.00 -0.62 -0.37 0.00 0.00 177.43 176.87 2kob n GLU 118 N -4.21 2.21 -3.39 6.67 1.02 -0.63 -4.83 120.64 117.47 2kob n GLU 118 Ca -0.01 -2.04 -0.42 0.00 -0.02 0.00 0.00 57.16 54.68 2kob n GLU 118 Cb 0.32 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.22 2kob n GLU 118 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2kob s THR 119 N -1.40 5.17 -0.93 2.62 2.01 -0.08 -5.02 115.64 118.01 2kob s THR 119 Ca 0.31 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.87 2kob s THR 119 Cb 0.19 -3.92 0.17 0.00 0.01 0.00 0.00 72.50 68.95 2kob s THR 119 CO 0.27 -0.26 1.02 -0.54 -0.69 0.00 0.00 174.62 174.42 2kob s LYS 120 N 1.97 3.68 0.17 4.92 3.01 -1.26 -4.92 119.74 127.30 2kob s LYS 120 Ca 0.10 -2.17 0.04 0.00 -1.01 0.00 0.00 55.97 52.93 2kob s LYS 120 Cb -0.17 -4.74 -0.01 0.00 -1.01 0.00 0.00 37.83 31.90 2kob s LYS 120 CO 0.12 -1.57 0.13 1.28 0.51 0.00 0.00 175.35 175.82 2kob n LEU 121 N 5.33 0.00 -4.76 3.17 4.77 -1.26 -5.14 117.00 119.11 2kob n LEU 121 Ca 0.21 -1.53 -0.37 0.00 -0.03 0.00 0.00 56.01 54.29 2kob n LEU 121 Cb 0.47 0.77 0.02 0.00 -2.33 0.00 0.00 43.42 42.35 2kob n LEU 121 CO 0.45 -0.25 0.89 0.00 -1.33 0.00 0.00 177.39 177.15 2kob s ALA 122 N -2.64 2.79 0.43 -1.18 0.00 -1.26 -4.87 121.76 115.03 2kob s ALA 122 Ca 0.18 1.12 0.14 0.00 0.00 0.00 0.00 51.96 53.39 2kob s ALA 122 Cb 0.01 -3.48 1.02 0.00 0.00 0.00 0.00 23.12 20.67 2kob s ALA 122 CO 0.13 -1.09 1.96 0.87 0.00 0.00 0.00 175.76 177.63 2kob h LYS 123 N 1.49 0.42 -0.60 0.00 1.57 -1.95 -0.42 116.57 117.07 2kob h LYS 123 Ca -0.50 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.18 2kob h LYS 123 Cb 1.28 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 2kob h LYS 123 CO 0.58 0.28 0.10 -0.97 -0.57 0.00 0.00 179.45 178.86 2kob h ASN 124 N 0.43 0.92 -0.26 0.86 -1.24 -2.00 -2.40 115.58 111.90 2kob h ASN 124 Ca 0.30 -0.20 -0.12 0.00 0.71 0.00 0.00 56.30 56.98 2kob h ASN 124 Cb 0.60 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 2kob h ASN 124 CO -0.09 0.93 -0.27 0.74 -1.29 0.00 0.00 177.43 177.45 2kob h THR 125 N 0.92 1.28 -0.73 -3.57 2.02 -1.45 -1.52 112.91 109.85 2kob h THR 125 Ca 0.19 -1.40 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 2kob h THR 125 Cb 0.40 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2kob h THR 125 CO 0.01 0.46 0.39 -0.07 0.37 0.00 0.00 175.52 176.68 2kob h LEU 126 N 0.65 0.93 -0.42 2.58 3.38 -1.13 -1.46 115.31 119.85 2kob h LEU 126 Ca 0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2kob h LEU 126 Cb 0.79 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2kob h LEU 126 CO 0.06 0.77 0.16 0.11 0.09 0.00 0.00 178.44 179.63 2kob h LYS 127 N 1.01 0.63 -0.97 1.13 1.57 -1.22 -2.76 116.57 115.98 2kob h LYS 127 Ca 0.26 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 2kob h LYS 127 Cb 0.06 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 2kob h LYS 127 CO -0.04 0.60 0.62 0.00 -0.57 0.00 0.00 179.45 180.07 2kob h ALA 128 N 1.00 1.33 0.02 3.86 0.00 -0.75 0.30 119.26 125.01 2kob h ALA 128 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kob h ALA 128 Cb 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kob h ALA 128 CO -0.01 0.43 -0.01 0.82 0.00 0.00 0.00 179.25 180.48 2kob h ILE 129 N 1.15 1.08 -0.39 0.00 2.04 -1.13 0.17 117.51 120.43 2kob h ILE 129 Ca 0.41 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2kob h ILE 129 Cb 0.13 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2kob h ILE 129 CO -0.16 0.08 0.21 -0.09 0.00 0.00 0.00 178.15 178.19 2kob h ARG 130 N -0.15 0.55 -0.13 2.37 2.43 -1.13 -2.14 114.38 116.17 2kob h ARG 130 Ca -0.00 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2kob h ARG 130 Cb 0.15 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2kob h ARG 130 CO 0.00 0.45 0.01 -0.91 -1.51 0.00 0.00 179.97 178.01 2kob h ASN 131 N 0.50 -0.03 -0.21 -3.80 4.21 -0.30 0.23 115.58 116.19 2kob h ASN 131 Ca 0.14 0.02 0.05 0.00 1.21 0.00 0.00 56.30 57.72 2kob h ASN 131 Cb 0.06 0.04 -0.05 0.00 -1.12 0.00 0.00 38.32 37.25 2kob h ASN 131 CO -0.02 0.01 -0.10 0.74 -1.29 0.00 0.00 177.43 176.77 2kob h THR 132 N 0.06 0.69 -0.86 2.81 2.02 -0.86 -0.55 112.91 116.21 2kob h THR 132 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2kob h THR 132 Cb 0.06 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 2kob h THR 132 CO -0.09 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.30 2kob h ALA 133 N 1.11 1.09 -0.47 6.16 0.00 -1.04 -2.32 119.26 123.80 2kob h ALA 133 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kob h ALA 133 Cb 0.24 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2kob h ALA 133 CO -0.26 0.57 0.29 0.77 0.00 0.00 0.00 179.25 180.62 2kob h SER 134 N 1.18 0.48 -0.15 0.00 0.02 0.14 -1.61 113.55 113.61 2kob h SER 134 Ca 0.31 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.17 2kob h SER 134 Cb -0.03 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2kob h SER 134 CO -0.06 0.35 -0.14 1.56 -1.14 0.00 0.00 176.83 177.40 2kob h GLN 135 N 0.59 0.53 -0.44 3.45 1.08 -0.79 0.90 115.11 120.43 2kob h GLN 135 Ca 0.18 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 2kob h GLN 135 Cb -0.02 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 2kob h GLN 135 CO -0.07 0.66 0.10 0.82 -0.95 0.00 0.00 178.83 179.40 2kob h ILE 136 N 0.49 1.24 -0.75 2.54 2.04 -1.00 0.69 117.51 122.75 2kob h ILE 136 Ca 0.09 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 2kob h ILE 136 Cb 0.54 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2kob h ILE 136 CO 0.03 0.29 0.24 -0.26 0.00 0.00 0.00 178.15 178.46 2kob h PHE 137 N 0.58 1.20 -0.48 1.37 0.04 -0.83 -2.37 116.94 116.46 2kob h PHE 137 Ca 0.14 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 2kob h PHE 137 Cb 0.33 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2kob h PHE 137 CO 0.02 0.94 0.08 0.00 -0.60 0.00 0.00 178.31 178.75 2kob h ARG 138 N 1.12 0.75 -0.86 1.51 3.08 -0.50 -0.32 114.38 119.15 2kob h ARG 138 Ca 0.24 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.16 2kob h ARG 138 Cb 0.30 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 2kob h ARG 138 CO -0.01 0.71 0.56 1.25 -1.07 0.00 0.00 179.97 181.41 2kob h LEU 139 N 0.72 0.95 -0.84 3.04 5.85 -0.45 0.28 115.31 124.86 2kob h LEU 139 Ca 0.15 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 2kob h LEU 139 Cb 0.32 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2kob h LEU 139 CO 0.00 0.67 -0.18 0.00 -0.34 0.00 0.00 178.44 178.59 2kob h ALA 140 N 1.34 1.01 -0.35 1.25 0.00 -0.86 -2.04 119.26 119.62 2kob h ALA 140 Ca 0.33 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kob h ALA 140 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2kob h ALA 140 CO -0.10 0.59 0.13 0.82 0.00 0.00 0.00 179.25 180.69 2kob h ILE 141 N 0.59 1.19 0.00 0.00 2.04 -0.01 0.17 117.51 121.50 2kob h ILE 141 Ca 0.09 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 2kob h ILE 141 Cb 0.64 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2kob h ILE 141 CO 0.05 0.21 -0.12 -0.33 0.00 0.00 0.00 178.15 177.96 2kob h GLU 142 N 0.41 0.00 -0.61 2.37 5.08 -0.29 -0.33 114.58 121.21 2kob h GLU 142 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2kob h GLU 142 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kob h GLU 142 CO -0.01 0.12 0.00 0.09 -1.00 0.00 0.00 179.01 178.21 2kob n ASN 143 N -4.05 3.50 -1.94 1.42 3.02 -0.78 -4.93 115.26 111.50 2kob n ASN 143 Ca -0.02 -2.14 -0.20 0.00 -0.03 0.00 0.00 54.58 52.19 2kob n ASN 143 Cb 0.21 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 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 1.11 -1.51 0.09 3.52 1.74 -0.13 -4.87 116.66 116.62 2kob n ARG 144 Ca 0.20 1.09 -0.22 0.00 -0.77 0.00 0.00 57.85 58.15 2kob n ARG 144 Cb 0.60 -5.58 -0.15 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 0.50 -0.11 -2.60 7.54 0.00 -0.90 -3.48 119.26 120.21 2kob h ALA 145 Ca -0.45 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 53.54 2kob h ALA 145 Cb 1.33 0.16 -0.19 0.00 0.00 0.00 0.00 17.79 19.09 2kob h ALA 145 CO 0.58 0.55 -0.38 -1.50 0.00 0.00 0.00 179.25 178.51 2kob s ILE 146 N -2.51 0.09 -0.57 0.00 2.07 -1.20 -5.00 121.20 114.08 2kob s ILE 146 Ca -0.12 -0.71 0.07 0.00 -1.41 0.00 0.00 60.65 58.47 2kob s ILE 146 Cb 0.03 -0.70 0.25 0.00 0.13 0.00 0.00 42.46 42.16 2kob s ILE 146 CO 0.88 -0.39 0.68 -0.67 -1.91 0.00 0.00 174.94 173.53 2kob n ASP 147 N 1.04 2.72 -3.64 4.50 2.03 -1.26 -3.26 116.55 118.68 2kob n ASP 147 Ca -0.21 -3.23 -0.05 0.00 0.52 0.00 0.00 54.79 51.83 2kob n ASP 147 Cb 0.57 -0.66 -0.07 0.00 -0.72 0.00 0.00 41.12 40.24 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 -2.10 -0.51 -0.46 -0.67 5.36 -1.26 -5.12 117.98 113.22 2kob s PHE 148 Ca 0.38 1.08 -0.00 0.00 -0.96 0.00 0.00 56.93 57.44 2kob s PHE 148 Cb 0.15 0.35 0.12 0.00 -0.34 0.00 0.00 43.02 43.31 2kob s PHE 148 CO -0.04 -0.25 0.23 1.21 -1.46 0.00 0.00 175.22 174.91 2kob s ASN 149 N 0.90 4.99 0.55 6.13 3.04 -1.26 -4.92 114.94 124.38 2kob s ASN 149 Ca -0.04 -2.40 0.33 0.00 0.04 0.00 0.00 52.86 50.79 2kob s ASN 149 Cb -0.04 -1.76 1.53 0.00 -1.54 0.00 0.00 41.25 39.44 2kob s ASN 149 CO -0.12 -0.42 2.06 -0.65 -3.04 0.00 0.00 177.10 174.93 2kob h PRO 150 N 7.47 0.00 0.00 0.43 0.11 -1.96 -2.58 132.00 135.47 2kob h PRO 150 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2kob h PRO 150 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2kob h PRO 150 CO 0.66 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.50 2kob h ALA 151 N 1.95 1.00 0.00 -0.75 0.00 -1.92 -2.62 119.26 116.92 2kob h ALA 151 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kob h ALA 151 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kob h ALA 151 CO 0.01 0.00 0.00 0.22 0.00 0.00 0.00 179.25 179.48 2kob h ASP 152 N 0.00 0.00 -0.09 0.00 3.58 -1.84 -2.65 116.42 115.42 2kob h ASP 152 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kob h ASP 152 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2kob h ASP 152 CO 0.00 0.00 0.00 -1.22 -2.88 0.00 0.00 179.24 175.14 2kob n TYR 153 N -3.02 0.10 -2.47 0.28 4.01 -0.99 -4.84 117.16 110.23 2kob n TYR 153 Ca 0.01 -0.05 -0.43 0.00 -0.16 0.00 0.00 57.90 57.27 2kob n TYR 153 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.90 4.07 0.15 -0.72 1.01 -1.00 -4.99 120.40 117.02 2kob s VAL 154 Ca 0.34 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 2kob s VAL 154 Cb 0.20 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 2kob s VAL 154 CO 0.31 -0.82 1.05 -0.13 0.00 0.00 0.00 175.10 175.51 2kob s ARG 155 N 4.63 4.64 -0.43 2.72 0.52 -1.26 -5.02 118.95 124.74 2kob s ARG 155 Ca 0.55 1.62 -0.11 0.00 -0.52 0.00 0.00 55.73 57.27 2kob s ARG 155 Cb -0.11 -3.31 0.08 0.00 0.52 0.00 0.00 34.95 32.12 2kob s ARG 155 CO 0.31 0.13 0.29 0.42 0.02 0.00 0.00 175.30 176.47 2kob s ILE 156 N -0.16 4.47 0.11 1.52 -1.09 -1.26 -4.86 121.20 119.94 2kob s ILE 156 Ca 0.48 -1.32 -0.30 0.00 -2.23 0.00 0.00 60.65 57.28 2kob s ILE 156 Cb -0.27 -3.72 -0.07 0.00 -1.58 0.00 0.00 42.46 36.82 2kob s ILE 156 CO 0.33 -0.52 1.22 -2.16 -1.23 0.00 0.00 174.94 172.57 2kob s PRO 157 N 1.48 4.44 -0.22 2.79 0.04 -1.26 -4.95 135.00 137.32 2kob s PRO 157 Ca 0.03 1.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.74 2kob s PRO 157 Cb -0.23 -3.30 -0.18 0.00 0.04 0.00 0.00 34.50 30.82 2kob s PRO 157 CO 0.03 -0.22 0.10 1.63 0.04 0.00 0.00 177.00 178.58 2kob n LYS 158 N 3.46 0.59 -2.11 4.56 5.02 -1.26 -4.95 118.16 123.46 2kob n LYS 158 Ca 0.08 0.47 -0.03 0.00 -2.02 0.00 0.00 58.31 56.81 2kob n LYS 158 Cb 0.45 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 2kob n LYS 158 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2kob n ILE 159 N -4.26 -8.44 -1.30 -0.18 5.41 -1.26 -4.96 119.36 104.37 2kob n ILE 159 Ca -0.37 1.50 -0.02 0.00 1.00 0.00 0.00 62.75 64.85 2kob n ILE 159 Cb 0.77 -5.26 0.22 0.00 -0.71 0.00 0.00 39.64 34.66 2kob n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kob n ALA 160 N 0.88 4.04 -2.71 -1.39 0.00 -1.26 -4.54 120.51 115.54 2kob n ALA 160 Ca -0.21 -2.87 -0.05 0.00 0.00 0.00 0.00 53.44 50.31 2kob n ALA 160 Cb 0.33 -0.80 0.09 0.00 0.00 0.00 0.00 19.45 19.07 2kob n ALA 160 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2kob n LEU 161 N -0.94 -0.45 -4.55 0.00 -0.00 -1.26 -5.11 117.00 104.69 2kob n LEU 161 Ca 0.32 -3.39 -0.51 0.00 -0.00 0.00 0.00 56.01 52.43 2kob n LEU 161 Cb 1.06 0.21 -0.06 0.00 -0.00 0.00 0.00 43.42 44.62 2kob n LEU 161 CO 0.22 1.64 1.67 -0.62 -0.00 0.00 0.00 177.39 180.30 2kob n GLU 162 N -0.70 1.39 -1.88 1.47 4.71 -1.26 -4.93 120.64 119.44 2kob n GLU 162 Ca -0.02 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.57 2kob n GLU 162 Cb 0.84 -2.52 0.00 0.00 -1.01 0.00 0.00 31.44 28.76 2kob n GLU 162 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2kob n HIS 163 N 8.71 0.00 -2.13 -0.32 1.44 -1.26 -4.67 115.22 116.98 2kob n HIS 163 Ca 0.34 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 56.04 2kob n HIS 163 Cb 0.25 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.34 2kob n HIS 163 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kob n HIS 164 N 0.00 -2.36 -2.34 -1.40 -0.00 -1.26 -4.35 115.22 103.51 2kob n HIS 164 Ca 0.00 1.22 -0.19 0.00 -0.00 0.00 0.00 57.72 58.76 2kob n HIS 164 Cb 0.00 -2.87 -0.01 0.00 -0.00 0.00 0.00 29.99 27.11 2kob n HIS 164 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kob n HIS 165 N 0.67 -0.88 -3.88 1.57 -0.00 -1.26 -4.98 115.22 106.47 2kob n HIS 165 Ca -0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.32 2kob n HIS 165 Cb 0.19 -3.67 -0.17 0.00 -0.00 0.00 0.00 29.99 26.34 2kob n HIS 165 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kob s HIS 166 N -2.93 1.53 -0.46 1.57 4.02 -1.26 -5.08 115.29 112.67 2kob s HIS 166 Ca 0.00 -0.90 -0.17 0.00 1.02 0.00 0.00 55.06 55.01 2kob s HIS 166 Cb 0.00 -1.24 0.05 0.00 -1.02 0.00 0.00 32.58 30.37 2kob s HIS 166 CO 0.00 -0.56 0.46 -3.38 1.02 0.00 0.00 174.74 172.27 2kob s HIS 167 N 1.69 3.17 -2.46 1.40 0.00 -1.26 -4.74 115.29 113.09 2kob s HIS 167 Ca 0.02 -0.65 0.28 0.00 -3.00 0.00 0.00 55.06 51.72 2kob s HIS 167 Cb -0.14 -3.14 1.12 0.00 -4.00 0.00 0.00 32.58 26.42 2kob s HIS 167 CO -0.08 -0.81 1.79 1.58 -1.00 0.00 0.00 174.74 176.21