#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 -0.07 0.26 2.89 -4.77 -1.26 -5.17 116.67 108.56 2kob s ASP 62 Ca 0.00 0.08 0.12 0.00 -3.30 0.00 0.00 52.55 49.44 2kob s ASP 62 Cb 0.00 0.06 -0.05 0.00 -1.09 0.00 0.00 42.92 41.84 2kob s ASP 62 CO 0.00 -0.06 -0.20 -0.94 0.70 0.00 0.00 175.17 174.67 2kob s SER 63 N -1.00 3.61 0.50 2.11 1.04 -1.26 -4.37 113.70 114.32 2kob s SER 63 Ca 0.08 -0.98 0.19 0.00 0.48 0.00 0.00 55.95 55.72 2kob s SER 63 Cb -0.01 -0.32 1.26 0.00 0.10 0.00 0.00 66.02 67.05 2kob s SER 63 CO -0.07 0.06 2.09 0.15 0.98 0.00 0.00 173.24 176.45 2kob h PHE 64 N 2.45 0.00 -0.58 5.02 3.57 0.13 -1.34 116.94 126.18 2kob h PHE 64 Ca -0.42 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 2kob h PHE 64 Cb 1.25 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 2kob h PHE 64 CO 0.78 0.09 0.15 0.78 -2.23 0.00 0.00 178.31 177.88 2kob h GLY 65 N 0.32 0.96 0.95 2.40 0.00 -1.67 0.40 103.07 106.43 2kob h GLY 65 Ca -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 2kob h GLY 65 CO 0.01 0.52 0.06 -0.55 0.00 0.00 0.00 176.54 176.58 2kob h ASP 66 N 0.86 0.67 -0.11 0.19 3.32 -1.56 -1.35 116.42 118.45 2kob h ASP 66 Ca 0.19 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 2kob h ASP 66 Cb 0.30 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2kob h ASP 66 CO -0.00 0.77 -0.40 -0.50 -1.72 0.00 0.00 179.24 177.38 2kob h TRP 67 N 0.55 0.77 -0.68 4.55 4.06 -1.21 -1.69 115.95 122.30 2kob h TRP 67 Ca 0.13 -0.23 0.02 0.00 2.06 0.00 0.00 58.89 60.87 2kob h TRP 67 Cb 0.39 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.34 2kob h TRP 67 CO 0.03 0.94 0.43 0.00 -3.56 0.00 0.00 178.44 176.29 2kob h ALA 68 N 1.02 0.88 -0.45 1.49 0.00 0.00 0.26 119.26 122.47 2kob h ALA 68 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kob h ALA 68 Cb 0.93 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kob h ALA 68 CO 0.08 0.23 0.21 1.49 0.00 0.00 0.00 179.25 181.26 2kob h GLU 69 N 0.86 0.65 -1.01 0.00 4.81 -1.10 -1.16 114.58 117.63 2kob h GLU 69 Ca 0.26 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2kob h GLU 69 Cb -0.03 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 2kob h GLU 69 CO -0.09 0.55 0.67 -0.22 -0.73 0.00 0.00 179.01 179.19 2kob h LYS 70 N 0.58 1.29 -0.44 1.92 3.64 -0.49 0.20 116.57 123.27 2kob h LYS 70 Ca 0.15 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2kob h LYS 70 Cb 0.12 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2kob h LYS 70 CO -0.02 0.85 0.16 0.35 -2.27 0.00 0.00 179.45 178.52 2kob h PHE 71 N 1.33 0.68 -0.48 1.91 3.57 -0.25 -0.91 116.94 122.79 2kob h PHE 71 Ca 0.38 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 2kob h PHE 71 Cb -0.09 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2kob h PHE 71 CO -0.00 0.60 0.04 -0.07 -2.23 0.00 0.00 178.31 176.65 2kob h LEU 72 N 0.56 0.72 -0.31 0.59 3.38 -0.25 0.11 115.31 120.12 2kob h LEU 72 Ca 0.14 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2kob h LEU 72 Cb 0.23 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kob h LEU 72 CO -0.01 0.77 -0.44 0.11 0.09 0.00 0.00 178.44 178.97 2kob h LYS 73 N 0.72 0.84 -0.11 1.13 1.79 -0.42 0.27 116.57 120.79 2kob h LYS 73 Ca 0.15 -0.49 -0.16 0.00 -2.18 0.00 0.00 60.65 57.97 2kob h LYS 73 Cb 0.39 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2kob h LYS 73 CO 0.01 1.13 -0.61 0.66 -1.08 0.00 0.00 179.45 179.56 2kob h SER 74 N 0.62 0.45 0.68 0.86 4.64 -0.97 -1.43 113.55 118.40 2kob h SER 74 Ca 0.03 -0.26 -0.15 0.00 -0.47 0.00 0.00 61.79 60.95 2kob h SER 74 Cb 1.03 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 2kob h SER 74 CO 0.10 0.95 -0.70 0.50 -0.87 0.00 0.00 176.83 176.81 2kob h LYS 75 N 0.29 0.02 -0.00 4.77 1.63 -0.71 0.39 116.57 122.96 2kob h LYS 75 Ca -0.01 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2kob h LYS 75 Cb 1.14 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2kob h LYS 75 CO 0.10 0.72 -0.02 1.49 -3.45 0.00 0.00 179.45 178.29 2kob h GLU 76 N 0.01 -0.03 0.00 1.90 4.81 -0.20 -2.18 114.58 118.89 2kob h GLU 76 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kob h GLU 76 Cb 1.25 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2kob h GLU 76 CO 0.09 -0.02 0.00 0.00 -0.73 0.00 0.00 179.01 178.35 2kob n ALA 77 N -2.14 1.84 0.43 2.92 0.00 -0.56 -1.70 120.51 121.30 2kob n ALA 77 Ca -0.07 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.46 2kob n ALA 77 Cb 0.05 -1.32 0.47 0.00 0.00 0.00 0.00 19.45 18.66 2kob n ALA 77 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kob h ASP 78 N 0.00 0.00 -1.22 0.00 3.58 -0.25 -3.47 116.42 115.06 2kob h ASP 78 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kob h ASP 78 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2kob h ASP 78 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2kob n GLY 79 N 0.45 0.89 3.52 -0.78 0.00 -0.69 -5.07 105.19 103.52 2kob n GLY 79 Ca 0.03 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.41 2.95 0.68 1.61 -7.23 -1.24 -5.08 120.40 109.68 2kob s VAL 80 Ca 0.00 -1.63 -0.16 0.00 -1.81 0.00 0.00 61.98 58.38 2kob s VAL 80 Cb 0.00 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.54 2kob s VAL 80 CO 0.00 -0.02 1.19 -0.55 -0.31 0.00 0.00 175.10 175.42 2kob s SER 81 N -2.51 4.65 0.16 4.85 0.15 -1.26 -4.81 113.70 114.93 2kob s SER 81 Ca 0.21 2.31 -0.13 0.00 0.70 0.00 0.00 55.95 59.04 2kob s SER 81 Cb -0.09 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.69 2kob s SER 81 CO 0.12 -1.96 1.74 0.58 1.20 0.00 0.00 173.24 174.93 2kob h VAL 82 N 0.12 1.21 -0.05 4.45 2.07 -1.99 0.22 116.25 122.27 2kob h VAL 82 Ca -0.48 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 2kob h VAL 82 Cb 1.29 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2kob h VAL 82 CO 0.52 0.24 -0.20 -1.28 0.02 0.00 0.00 177.57 176.87 2kob h SER 83 N 0.74 0.08 -0.15 0.57 0.87 -1.98 0.22 113.55 113.89 2kob h SER 83 Ca 0.19 -0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.54 2kob h SER 83 Cb 0.14 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2kob h SER 83 CO -0.02 0.28 -0.61 -0.61 -0.53 0.00 0.00 176.83 175.34 2kob h GLN 84 N 0.08 0.76 -0.52 2.24 5.75 -1.66 -1.73 115.11 120.03 2kob h GLN 84 Ca 0.01 -0.52 -0.10 0.00 -0.15 0.00 0.00 58.65 57.90 2kob h GLN 84 Cb 0.39 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 2kob h GLN 84 CO 0.03 1.14 -0.07 1.25 -2.65 0.00 0.00 178.83 178.52 2kob h LEU 85 N 0.57 0.93 -1.80 -2.39 5.85 0.16 -2.09 115.31 116.54 2kob h LEU 85 Ca -0.00 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2kob h LEU 85 Cb 1.21 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 2kob h LEU 85 CO 0.13 1.03 -0.15 0.78 -0.34 0.00 0.00 178.44 179.88 2kob h ASN 86 N 0.85 0.00 -0.09 1.25 2.35 -0.48 0.21 115.58 119.66 2kob h ASN 86 Ca 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2kob h ASN 86 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 2kob h ASN 86 CO 0.04 0.15 0.01 -1.28 -1.65 0.00 0.00 177.43 174.70 2kob h SER 87 N 0.00 0.16 -0.41 5.81 0.87 -0.63 -0.83 113.55 118.52 2kob h SER 87 Ca -0.00 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 2kob h SER 87 Cb 0.34 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2kob h SER 87 CO 0.02 0.40 0.17 1.88 -0.53 0.00 0.00 176.83 178.77 2kob h TYR 88 N -0.09 0.68 -0.67 2.24 0.05 -1.06 -1.94 116.97 116.17 2kob h TYR 88 Ca 0.03 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2kob h TYR 88 Cb 0.32 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 2kob h TYR 88 CO 0.02 0.55 0.37 -0.22 -1.05 0.00 0.00 178.16 177.83 2kob h LYS 89 N 0.67 0.92 -0.61 4.88 3.64 -0.69 -0.39 116.57 124.99 2kob h LYS 89 Ca 0.16 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2kob h LYS 89 Cb 0.17 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2kob h LYS 89 CO -0.01 0.67 0.05 -0.97 -2.27 0.00 0.00 179.45 176.92 2kob h ASN 90 N 0.93 0.99 0.80 4.20 -0.73 -0.39 -0.37 115.58 121.01 2kob h ASN 90 Ca 0.24 -0.25 -0.04 0.00 1.87 0.00 0.00 56.30 58.12 2kob h ASN 90 Cb 0.02 -0.26 0.01 0.00 0.27 0.00 0.00 38.32 38.35 2kob h ASN 90 CO -0.04 1.02 -0.38 1.88 -0.37 0.00 0.00 177.43 179.53 2kob h TYR 91 N 0.95 -1.00 -0.26 0.67 0.05 -0.94 -1.42 116.97 115.03 2kob h TYR 91 Ca 0.18 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 2kob h TYR 91 Cb 0.48 0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 2kob h TYR 91 CO 0.03 -0.61 0.09 0.00 -1.05 0.00 0.00 178.16 176.62 2kob h ARG 93 N 0.26 0.38 0.00 0.00 2.43 -1.19 -3.27 114.38 112.99 2kob h ARG 93 Ca 0.08 -0.65 -0.22 0.00 -0.81 0.00 0.00 59.98 58.39 2kob h ARG 93 Cb 0.20 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2kob h ARG 93 CO -0.01 1.31 -1.36 -1.71 -1.51 0.00 0.00 179.97 176.70 2kob n ASN 94 N -3.58 1.88 0.09 -3.80 5.15 -0.62 -3.43 115.26 110.94 2kob n ASN 94 Ca -0.26 0.44 -0.16 0.00 -0.60 0.00 0.00 54.58 54.01 2kob n ASN 94 Cb 1.07 -0.90 -0.09 0.00 -0.53 0.00 0.00 39.78 39.33 2kob n ASN 94 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 2kob h HIS 95 N -1.00 0.64 -0.80 1.20 3.86 -0.58 -3.13 115.15 115.34 2kob h HIS 95 Ca -0.33 -0.40 -0.33 0.00 -1.16 0.00 0.00 60.37 58.15 2kob h HIS 95 Cb 1.18 -0.05 -0.20 0.00 1.06 0.00 0.00 27.41 29.40 2kob h HIS 95 CO -0.05 1.25 0.42 1.28 0.86 0.00 0.00 177.93 181.70 2kob n LEU 96 N -3.68 6.09 -0.18 2.43 4.77 0.75 -4.70 117.00 122.48 2kob n LEU 96 Ca -0.09 -3.21 -0.01 0.00 -0.03 0.00 0.00 56.01 52.68 2kob n LEU 96 Cb 0.93 -0.77 0.09 0.00 -2.33 0.00 0.00 43.42 41.34 2kob n LEU 96 CO 0.53 0.88 0.93 0.77 -1.33 0.00 0.00 177.39 179.18 2kob h SER 97 N 1.72 0.07 -0.40 -1.43 4.64 -1.56 0.42 113.55 117.00 2kob h SER 97 Ca 0.41 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2kob h SER 97 Cb 2.46 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 64.64 2kob h SER 97 CO 0.84 0.05 0.25 1.55 -0.87 0.00 0.00 176.83 178.66 2kob h PRO 98 N 0.29 0.56 0.00 4.77 0.13 -1.88 -2.52 132.00 133.35 2kob h PRO 98 Ca 0.29 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 65.17 2kob h PRO 98 Cb 0.40 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 2kob h PRO 98 CO -0.35 0.39 -1.16 -0.07 -0.23 0.00 0.00 178.00 176.59 2kob h LEU 99 N 0.57 0.00 -2.38 1.56 3.38 -1.53 -3.31 115.31 113.59 2kob h LEU 99 Ca 0.15 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2kob h LEU 99 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kob h LEU 99 CO -0.03 0.88 0.04 0.22 0.09 0.00 0.00 178.44 179.64 2kob h TYR 100 N 0.00 0.00 -0.32 1.13 3.20 0.24 0.14 116.97 121.36 2kob h TYR 100 Ca -0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2kob h TYR 100 Cb 1.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.03 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 -3.91 2.23 -3.65 1.82 0.00 -1.21 -2.56 117.12 109.84 2kob n MET 101 Ca -0.02 -2.05 -0.21 0.00 0.00 0.00 0.00 57.70 55.42 2kob n MET 101 Cb 0.13 -1.41 -0.03 0.00 0.00 0.00 0.00 33.22 31.91 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 -1.28 2.71 0.53 3.17 1.02 0.04 -4.93 119.74 120.99 2kob s LYS 102 Ca 0.31 -1.34 0.03 0.00 0.02 0.00 0.00 55.97 54.99 2kob s LYS 102 Cb 0.18 -2.50 0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2kob s LYS 102 CO 0.25 -0.02 0.74 -1.54 -0.92 0.00 0.00 175.35 173.86 2kob s SER 103 N -4.08 5.29 0.50 2.83 1.04 -1.26 0.76 113.70 118.78 2kob s SER 103 Ca 0.45 -0.16 0.16 0.00 0.48 0.00 0.00 55.95 56.87 2kob s SER 103 Cb -0.06 -0.72 1.20 0.00 0.10 0.00 0.00 66.02 66.54 2kob s SER 103 CO 0.28 -1.11 2.09 -0.07 0.98 0.00 0.00 173.24 175.41 2kob h LEU 104 N 0.17 0.11 0.00 2.42 3.38 -1.88 -0.84 115.31 118.67 2kob h LEU 104 Ca -0.41 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 2kob h LEU 104 Cb 1.29 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kob h LEU 104 CO 0.49 0.08 -0.77 0.28 0.09 0.00 0.00 178.44 178.61 2kob h SER 105 N 0.13 0.00 1.25 -0.43 0.02 -1.94 -3.32 113.55 109.27 2kob h SER 105 Ca 0.10 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 2kob h SER 105 Cb 0.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2kob h SER 105 CO -0.01 0.10 -0.78 -0.08 -1.14 0.00 0.00 176.83 174.92 2kob h GLU 106 N 0.00 0.00 -6.43 3.45 4.22 -1.56 -3.45 114.58 110.81 2kob h GLU 106 Ca -0.02 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.88 2kob h GLU 106 Cb 1.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.35 2kob h GLU 106 CO 0.01 0.44 0.76 0.42 -2.18 0.00 0.00 179.01 178.47 2kob s ILE 107 N -2.95 3.66 -0.13 2.32 1.01 -0.68 -4.88 121.20 119.54 2kob s ILE 107 Ca 0.02 1.11 -0.07 0.00 0.00 0.00 0.00 60.65 61.71 2kob s ILE 107 Cb 0.08 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2kob s ILE 107 CO 0.77 0.03 0.13 -0.76 0.00 0.00 0.00 174.94 175.11 2kob s LEU 108 N 1.87 4.30 0.21 2.97 1.43 -1.26 -5.01 118.68 123.19 2kob s LEU 108 Ca 0.63 0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 54.04 2kob s LEU 108 Cb -0.32 -2.06 0.25 0.00 0.03 0.00 0.00 46.19 44.08 2kob s LEU 108 CO 0.28 0.36 1.81 -0.65 0.23 0.00 0.00 176.35 178.37 2kob h PRO 109 N 5.35 0.66 0.00 1.29 0.11 -1.96 -2.08 132.00 135.37 2kob h PRO 109 Ca -0.52 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 2kob h PRO 109 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2kob h PRO 109 CO 0.61 0.44 -0.23 0.00 -0.21 0.00 0.00 178.00 178.61 2kob h ALA 110 N 1.35 1.42 -0.45 -0.75 0.00 -1.95 -1.11 119.26 117.77 2kob h ALA 110 Ca 0.30 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2kob h ALA 110 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kob h ALA 110 CO -0.19 0.29 -0.27 0.22 0.00 0.00 0.00 179.25 179.30 2kob h ASP 111 N 0.00 1.01 -0.37 0.00 3.58 -1.80 -0.20 116.42 118.64 2kob h ASP 111 Ca -0.00 -0.41 -0.12 0.00 0.42 0.00 0.00 57.03 56.92 2kob h ASP 111 Cb 0.47 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2kob h ASP 111 CO 0.03 1.21 -0.19 0.40 -2.88 0.00 0.00 179.24 177.81 2kob h ILE 112 N 0.83 1.27 -0.73 2.25 2.04 -1.21 -2.63 117.51 119.33 2kob h ILE 112 Ca 0.09 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 2kob h ILE 112 Cb 0.85 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2kob h ILE 112 CO 0.08 0.45 0.31 -0.61 0.00 0.00 0.00 178.15 178.38 2kob h GLN 113 N 0.75 1.07 -0.02 2.37 5.75 -0.81 -2.39 115.11 121.83 2kob h GLN 113 Ca 0.11 -0.18 -0.11 0.00 -0.15 0.00 0.00 58.65 58.32 2kob h GLN 113 Cb 0.72 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 2kob h GLN 113 CO 0.06 0.86 -0.50 0.66 -2.65 0.00 0.00 178.83 177.26 2kob h SER 114 N 1.03 0.07 0.28 -0.69 4.64 -0.96 -0.45 113.55 117.46 2kob h SER 114 Ca 0.24 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2kob h SER 114 Cb 0.17 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2kob h SER 114 CO -0.02 0.56 -0.29 0.40 -0.87 0.00 0.00 176.83 176.60 2kob h ILE 115 N 0.05 0.39 -0.00 0.95 2.04 -1.06 -0.23 117.51 119.64 2kob h ILE 115 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2kob h ILE 115 Cb 0.90 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2kob h ILE 115 CO 0.07 0.00 -0.23 0.40 0.00 0.00 0.00 178.15 178.38 2kob h ILE 116 N -0.60 1.17 -0.41 -0.67 1.08 -1.32 -0.12 117.51 116.64 2kob h ILE 116 Ca -0.01 -0.81 -0.07 0.00 -0.39 0.00 0.00 64.86 63.58 2kob h ILE 116 Cb 0.56 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.73 2kob h ILE 116 CO -0.07 0.23 -0.01 -1.13 -0.69 0.00 0.00 178.15 176.48 2kob h ASN 117 N 0.00 0.72 0.41 1.72 -1.24 -0.51 -3.30 115.58 113.39 2kob h ASN 117 Ca -0.00 -0.32 -0.31 0.00 0.71 0.00 0.00 56.30 56.39 2kob h ASN 117 Cb 0.42 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.22 2kob h ASN 117 CO 0.03 0.86 -1.82 -0.62 -1.29 0.00 0.00 177.43 174.59 2kob n GLU 118 N -4.42 0.64 -1.86 6.67 1.02 -0.15 -4.84 120.64 117.71 2kob n GLU 118 Ca -0.01 0.25 -0.43 0.00 -0.02 0.00 0.00 57.16 56.96 2kob n GLU 118 Cb 0.30 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.58 3.32 -1.18 2.62 2.01 -0.08 -4.89 115.64 114.85 2kob s THR 119 Ca -0.06 0.34 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 2kob s THR 119 Cb 0.08 -3.39 0.21 0.00 0.01 0.00 0.00 72.50 69.40 2kob s THR 119 CO 0.82 -0.21 1.36 0.29 -0.69 0.00 0.00 174.62 176.18 2kob n LYS 120 N 8.30 3.45 -3.48 4.92 5.02 -1.26 -4.90 118.16 130.21 2kob n LYS 120 Ca 0.24 -4.04 -0.16 0.00 -2.02 0.00 0.00 58.31 52.33 2kob n LYS 120 Cb 0.45 -2.88 -0.04 0.00 -0.02 0.00 0.00 35.03 32.54 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 4.62 0.00 -4.75 -0.35 4.77 -1.26 -5.13 117.00 114.90 2kob n LEU 121 Ca 0.33 -1.86 -0.35 0.00 -0.03 0.00 0.00 56.01 54.10 2kob n LEU 121 Cb 0.41 0.48 0.05 0.00 -2.33 0.00 0.00 43.42 42.03 2kob n LEU 121 CO 0.59 -0.28 0.80 0.00 -1.33 0.00 0.00 177.39 177.17 2kob s ALA 122 N -2.61 2.41 0.31 -1.18 0.00 -1.26 -4.81 121.76 114.62 2kob s ALA 122 Ca 0.08 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.93 2kob s ALA 122 Cb 0.00 -3.43 0.52 0.00 0.00 0.00 0.00 23.12 20.22 2kob s ALA 122 CO 0.06 -1.38 1.86 0.87 0.00 0.00 0.00 175.76 177.17 2kob h LYS 123 N 0.37 0.67 -0.23 0.00 6.56 -1.97 0.47 116.57 122.44 2kob h LYS 123 Ca -0.49 -0.13 -0.13 0.00 -1.06 0.00 0.00 60.65 58.84 2kob h LYS 123 Cb 1.28 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.83 2kob h LYS 123 CO 0.53 0.63 -0.42 -0.97 -2.06 0.00 0.00 179.45 177.17 2kob h ASN 124 N 0.65 0.58 -0.38 0.86 -1.24 -1.99 -1.07 115.58 112.99 2kob h ASN 124 Ca 0.15 -0.26 -0.05 0.00 0.71 0.00 0.00 56.30 56.85 2kob h ASN 124 Cb 0.28 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2kob h ASN 124 CO 0.00 0.93 0.05 0.74 -1.29 0.00 0.00 177.43 177.85 2kob h THR 125 N 0.45 1.24 -0.61 -3.57 2.02 -1.61 -0.08 112.91 110.74 2kob h THR 125 Ca 0.04 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 2kob h THR 125 Cb 0.92 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 2kob h THR 125 CO 0.08 0.30 0.34 -0.07 0.37 0.00 0.00 175.52 176.54 2kob h LEU 126 N 0.48 0.76 -0.95 2.58 3.38 -0.79 -0.10 115.31 120.67 2kob h LEU 126 Ca 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kob h LEU 126 Cb 0.39 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2kob h LEU 126 CO 0.01 0.64 0.57 0.11 0.09 0.00 0.00 178.44 179.86 2kob h LYS 127 N 0.83 1.29 -0.32 1.13 1.57 -1.04 -2.18 116.57 117.85 2kob h LYS 127 Ca 0.22 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2kob h LYS 127 Cb 0.04 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 2kob h LYS 127 CO -0.03 0.90 -0.04 0.00 -0.57 0.00 0.00 179.45 179.70 2kob h ALA 128 N 1.31 1.34 0.29 3.86 0.00 -0.17 0.33 119.26 126.22 2kob h ALA 128 Ca 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2kob h ALA 128 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2kob h ALA 128 CO -0.06 0.45 -0.14 0.82 0.00 0.00 0.00 179.25 180.32 2kob h ILE 129 N 0.48 0.74 -0.77 0.00 2.04 -0.45 0.33 117.51 119.88 2kob h ILE 129 Ca 0.10 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 2kob h ILE 129 Cb 0.38 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2kob h ILE 129 CO 0.02 0.07 0.34 -0.09 0.00 0.00 0.00 178.15 178.48 2kob h ARG 130 N -0.56 1.13 0.20 2.37 2.43 -1.21 -1.99 114.38 116.77 2kob h ARG 130 Ca -0.04 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 2kob h ARG 130 Cb 0.41 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2kob h ARG 130 CO 0.07 0.90 -0.33 -0.97 -1.51 0.00 0.00 179.97 178.13 2kob h ASN 131 N 1.10 -0.93 -0.53 -3.80 -1.24 -0.24 0.31 115.58 110.25 2kob h ASN 131 Ca 0.26 0.10 0.05 0.00 0.71 0.00 0.00 56.30 57.42 2kob h ASN 131 Cb 0.17 0.34 -0.05 0.00 0.73 0.00 0.00 38.32 39.51 2kob h ASN 131 CO -0.03 -0.44 0.27 0.74 -1.29 0.00 0.00 177.43 176.68 2kob h THR 132 N -0.61 0.95 -0.11 -3.57 2.02 -0.77 0.90 112.91 111.73 2kob h THR 132 Ca 0.01 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2kob h THR 132 Cb 0.60 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2kob h THR 132 CO -0.14 0.09 0.04 0.00 0.37 0.00 0.00 175.52 175.88 2kob h ALA 133 N 1.29 0.14 -0.12 6.16 0.00 -1.07 -2.38 119.26 123.27 2kob h ALA 133 Ca 0.23 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2kob h ALA 133 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kob h ALA 133 CO -0.17 -0.27 -0.27 0.66 0.00 0.00 0.00 179.25 179.20 2kob h SER 134 N 0.01 0.21 -0.49 0.00 4.64 0.01 -1.73 113.55 116.20 2kob h SER 134 Ca 0.04 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2kob h SER 134 Cb 0.18 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2kob h SER 134 CO -0.00 0.49 0.01 1.56 -0.87 0.00 0.00 176.83 178.02 2kob h GLN 135 N 0.19 0.92 -0.75 4.77 1.08 -0.68 0.58 115.11 121.22 2kob h GLN 135 Ca 0.03 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 2kob h GLN 135 Cb 0.58 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 2kob h GLN 135 CO 0.04 0.90 0.23 0.82 -0.95 0.00 0.00 178.83 179.88 2kob h ILE 136 N 0.85 1.26 -0.59 2.54 2.04 -0.85 -0.32 117.51 122.44 2kob h ILE 136 Ca 0.16 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 2kob h ILE 136 Cb 0.49 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2kob h ILE 136 CO 0.02 0.36 0.26 -0.26 0.00 0.00 0.00 178.15 178.53 2kob h PHE 137 N 1.11 0.88 -0.82 1.37 0.04 -0.89 -2.59 116.94 116.04 2kob h PHE 137 Ca 0.24 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 2kob h PHE 137 Cb 0.31 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 2kob h PHE 137 CO 0.03 0.69 0.49 0.00 -0.60 0.00 0.00 178.31 178.91 2kob h ARG 138 N 0.81 1.11 -0.92 1.51 3.08 -0.41 0.13 114.38 119.70 2kob h ARG 138 Ca 0.20 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.24 2kob h ARG 138 Cb 0.17 -0.23 -0.07 0.00 0.08 0.00 0.00 29.97 29.92 2kob h ARG 138 CO -0.02 0.78 0.59 1.25 -1.07 0.00 0.00 179.97 181.50 2kob h LEU 139 N 1.13 0.87 -0.37 3.04 5.85 -0.70 0.17 115.31 125.30 2kob h LEU 139 Ca 0.29 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.85 2kob h LEU 139 Cb -0.04 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2kob h LEU 139 CO -0.05 0.53 -0.81 0.00 -0.34 0.00 0.00 178.44 177.77 2kob h ALA 140 N 1.53 0.59 -0.47 1.25 0.00 -0.90 -3.00 119.26 118.25 2kob h ALA 140 Ca 0.42 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2kob h ALA 140 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kob h ALA 140 CO -0.18 0.85 0.13 0.82 0.00 0.00 0.00 179.25 180.87 2kob h ILE 141 N 0.15 1.23 -0.90 0.00 2.04 0.49 0.78 117.51 121.31 2kob h ILE 141 Ca -0.04 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 2kob h ILE 141 Cb 1.40 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 2kob h ILE 141 CO 0.13 0.29 0.55 -0.33 0.00 0.00 0.00 178.15 178.79 2kob h GLU 142 N 0.63 1.22 -0.05 2.37 5.08 -0.75 0.08 114.58 123.15 2kob h GLU 142 Ca 0.15 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2kob h GLU 142 Cb 0.30 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2kob h GLU 142 CO -0.00 0.84 0.00 0.09 -1.00 0.00 0.00 179.01 178.94 2kob n ASN 143 N -4.37 0.66 -2.19 1.42 3.02 -1.08 -4.89 115.26 107.82 2kob n ASN 143 Ca 0.10 -1.45 -0.20 0.00 -0.03 0.00 0.00 54.58 53.00 2kob n ASN 143 Cb 0.05 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.39 -1.58 0.10 3.52 1.74 0.01 -4.86 116.66 115.21 2kob n ARG 144 Ca 0.17 1.01 -0.19 0.00 -0.77 0.00 0.00 57.85 58.06 2kob n ARG 144 Cb 0.18 -5.59 -0.12 0.00 -1.02 0.00 0.00 32.46 25.91 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 0.83 0.08 -3.31 7.54 0.00 -1.12 -3.46 119.26 119.82 2kob h ALA 145 Ca -0.47 -0.80 -0.18 0.00 0.00 0.00 0.00 54.91 53.46 2kob h ALA 145 Cb 1.35 0.07 -0.26 0.00 0.00 0.00 0.00 17.79 18.94 2kob h ALA 145 CO 0.57 0.79 -0.52 -1.50 0.00 0.00 0.00 179.25 178.59 2kob s ILE 146 N -2.91 0.00 -0.44 0.00 2.07 -1.18 -5.01 121.20 113.72 2kob s ILE 146 Ca -0.07 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.20 2kob s ILE 146 Cb 0.06 -0.25 0.43 0.00 0.13 0.00 0.00 42.46 42.83 2kob s ILE 146 CO 0.91 -0.01 1.27 -0.67 -1.91 0.00 0.00 174.94 174.53 2kob n ASP 147 N 2.95 5.20 -3.67 4.50 2.03 -1.26 -3.11 116.55 123.19 2kob n ASP 147 Ca -0.13 -3.74 -0.10 0.00 0.52 0.00 0.00 54.79 51.34 2kob n ASP 147 Cb 0.59 -0.50 -0.10 0.00 -0.72 0.00 0.00 41.12 40.38 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 -3.62 -0.69 -0.48 -0.67 5.36 -1.26 -5.12 117.98 111.50 2kob s PHE 148 Ca 0.50 1.38 -0.05 0.00 -0.96 0.00 0.00 56.93 57.80 2kob s PHE 148 Cb 0.41 0.26 0.12 0.00 -0.34 0.00 0.00 43.02 43.48 2kob s PHE 148 CO -0.12 -0.42 0.30 1.21 -1.46 0.00 0.00 175.22 174.73 2kob s ASN 149 N 2.12 5.43 0.39 6.13 3.84 -1.26 -4.94 114.94 126.65 2kob s ASN 149 Ca -0.05 -2.15 0.08 0.00 0.21 0.00 0.00 52.86 50.95 2kob s ASN 149 Cb -0.11 -1.90 0.80 0.00 -0.55 0.00 0.00 41.25 39.50 2kob s ASN 149 CO -0.12 -0.56 1.97 -0.65 -2.79 0.00 0.00 177.10 174.95 2kob h PRO 150 N 7.99 0.40 0.00 0.43 0.11 -1.95 -2.38 132.00 136.60 2kob h PRO 150 Ca -0.13 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2kob h PRO 150 Cb 1.04 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2kob h PRO 150 CO 0.75 0.38 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 2kob h ALA 151 N 1.67 1.00 0.00 -0.75 0.00 -1.92 -2.51 119.26 116.76 2kob h ALA 151 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2kob h ALA 151 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2kob h ALA 151 CO -0.00 0.00 -0.27 0.22 0.00 0.00 0.00 179.25 179.20 2kob h ASP 152 N 0.00 0.00 0.21 0.00 3.58 -1.80 -2.41 116.42 116.00 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 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2kob h ASP 152 CO 0.00 0.27 -0.22 -1.22 -2.88 0.00 0.00 179.24 175.19 2kob n TYR 153 N -3.40 0.00 -3.29 0.28 4.01 -0.95 -4.82 117.16 109.00 2kob n TYR 153 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 2kob n TYR 153 Cb 0.47 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.33 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 -2.44 4.80 0.17 -0.72 1.01 -0.91 -5.06 120.40 117.25 2kob s VAL 154 Ca 0.26 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.51 2kob s VAL 154 Cb 0.19 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2kob s VAL 154 CO 0.50 0.53 -0.19 0.00 0.00 0.00 0.00 175.10 175.94 2kob s ARG 155 N -0.95 1.31 -0.33 2.72 1.70 -1.26 -4.99 118.95 117.15 2kob s ARG 155 Ca 0.29 -1.44 -0.15 0.00 -0.47 0.00 0.00 55.73 53.95 2kob s ARG 155 Cb -0.19 -1.37 -0.02 0.00 -0.57 0.00 0.00 34.95 32.80 2kob s ARG 155 CO 0.18 0.28 0.38 0.42 -1.08 0.00 0.00 175.30 175.48 2kob s ILE 156 N -2.08 5.15 0.14 4.99 1.09 -1.26 -4.94 121.20 124.29 2kob s ILE 156 Ca 0.17 0.20 -0.31 0.00 -1.10 0.00 0.00 60.65 59.61 2kob s ILE 156 Cb -0.06 -3.81 -0.08 0.00 -1.06 0.00 0.00 42.46 37.45 2kob s ILE 156 CO 0.07 -0.05 1.36 -2.84 -0.10 0.00 0.00 174.94 173.38 2kob s PRO 157 N 2.08 4.34 0.00 2.79 0.02 -1.26 -4.90 135.00 138.06 2kob s PRO 157 Ca 0.13 2.06 0.30 0.00 0.02 0.00 0.00 61.00 63.52 2kob s PRO 157 Cb -0.16 -3.23 1.47 0.00 0.02 0.00 0.00 34.50 32.59 2kob s PRO 157 CO 0.12 -0.38 2.03 1.63 -0.33 0.00 0.00 177.00 180.06 2kob n LYS 158 N 3.57 0.39 0.00 5.54 5.02 -1.26 -4.91 118.16 126.51 2kob n LYS 158 Ca 0.10 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2kob n LYS 158 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.29 0.00 -2.41 -0.18 2.08 -1.26 -4.77 119.36 111.53 2kob n ILE 159 Ca 0.13 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 63.07 2kob n ILE 159 Cb 0.26 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.12 2kob n ILE 159 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kob s ALA 160 N 0.00 2.63 -1.02 -1.39 0.00 -1.26 -4.50 121.76 116.22 2kob s ALA 160 Ca 0.00 -2.39 0.15 0.00 0.00 0.00 0.00 51.96 49.72 2kob s ALA 160 Cb 0.00 -4.61 -0.09 0.00 0.00 0.00 0.00 23.12 18.42 2kob s ALA 160 CO 0.00 -3.96 0.72 1.28 0.00 0.00 0.00 175.76 173.80 2kob n LEU 161 N 10.40 1.08 -1.00 0.00 4.77 -1.26 -5.10 117.00 125.89 2kob n LEU 161 Ca 0.42 -0.61 0.13 0.00 -0.03 0.00 0.00 56.01 55.92 2kob n LEU 161 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2kob n LEU 161 CO 0.70 0.23 -0.27 -0.62 -1.33 0.00 0.00 177.39 176.09 2kob n GLU 162 N -0.83 -2.12 -4.24 3.23 1.02 -1.26 -4.86 120.64 111.57 2kob n GLU 162 Ca 0.04 1.53 -0.34 0.00 -0.02 0.00 0.00 57.16 58.37 2kob n GLU 162 Cb 0.27 -2.55 -0.12 0.00 -0.02 0.00 0.00 31.44 29.02 2kob n GLU 162 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kob s HIS 163 N -2.53 3.06 -0.29 -0.32 3.76 -1.26 -5.08 115.29 112.62 2kob s HIS 163 Ca 0.00 -0.30 -0.16 0.00 -0.15 0.00 0.00 55.06 54.44 2kob s HIS 163 Cb 0.00 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 2kob s HIS 163 CO 0.00 -0.08 0.43 -1.01 -0.85 0.00 0.00 174.74 173.24 2kob s HIS 164 N 0.57 3.23 -0.04 1.40 0.09 -1.26 -4.91 115.29 114.37 2kob s HIS 164 Ca -0.01 0.35 -0.05 0.00 -0.00 0.00 0.00 55.06 55.35 2kob s HIS 164 Cb -0.14 -2.70 -0.03 0.00 -0.00 0.00 0.00 32.58 29.71 2kob s HIS 164 CO 0.02 -0.34 -0.11 0.72 -0.00 0.00 0.00 174.74 175.03 2kob n HIS 165 N 5.48 0.00 -1.83 1.40 8.25 -1.26 -5.05 115.22 122.21 2kob n HIS 165 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2kob n HIS 165 Cb 0.50 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2kob n HIS 165 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kob n HIS 166 N -3.59 0.00 -2.18 4.41 8.25 -1.26 -4.94 115.22 115.91 2kob n HIS 166 Ca -0.11 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.99 2kob n HIS 166 Cb 0.40 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 2kob n HIS 166 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kob n HIS 167 N 0.00 3.49 -0.23 4.41 8.25 -1.26 -5.24 115.22 124.65 2kob n HIS 167 Ca 0.00 -2.14 0.00 0.00 -0.26 0.00 0.00 57.72 55.32 2kob n HIS 167 Cb 0.00 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 28.55 2kob n HIS 167 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56