#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 6.34 0.23 0.55 1.01 -1.26 -4.91 116.67 118.64 2kob s ASP 62 Ca 0.00 0.52 -0.21 0.00 0.71 0.00 0.00 52.55 53.57 2kob s ASP 62 Cb 0.00 -2.06 -0.08 0.00 1.01 0.00 0.00 42.92 41.78 2kob s ASP 62 CO 0.00 -0.24 0.75 -0.55 0.21 0.00 0.00 175.17 175.35 2kob s SER 63 N -3.69 7.10 0.44 0.27 0.15 -1.26 0.12 113.70 116.83 2kob s SER 63 Ca 0.41 1.48 0.14 0.00 0.70 0.00 0.00 55.95 58.68 2kob s SER 63 Cb -0.10 -2.44 0.98 0.00 -1.71 0.00 0.00 66.02 62.75 2kob s SER 63 CO 0.34 0.02 1.98 0.15 1.20 0.00 0.00 173.24 176.94 2kob h PHE 64 N 3.41 0.01 -0.51 3.44 3.57 -1.59 -2.02 116.94 123.26 2kob h PHE 64 Ca -0.48 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 60.98 2kob h PHE 64 Cb 1.19 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 2kob h PHE 64 CO 0.63 0.20 0.16 0.78 -2.23 0.00 0.00 178.31 177.85 2kob h GLY 65 N 0.57 0.80 0.94 2.40 0.00 -1.74 0.23 103.07 106.26 2kob h GLY 65 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 2kob h GLY 65 CO 0.02 0.40 -0.25 -1.80 0.00 0.00 0.00 176.54 174.91 2kob h ASP 66 N 0.73 0.69 0.74 0.19 3.58 -1.69 -1.27 116.42 119.39 2kob h ASP 66 Ca 0.17 -0.46 -0.10 0.00 0.42 0.00 0.00 57.03 57.05 2kob h ASP 66 Cb 0.21 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2kob h ASP 66 CO -0.01 1.01 -0.49 -0.50 -2.88 0.00 0.00 179.24 176.37 2kob h TRP 67 N 0.38 0.00 -0.33 0.28 4.06 -1.21 0.81 115.95 119.95 2kob h TRP 67 Ca 0.05 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.95 2kob h TRP 67 Cb 0.81 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.96 2kob h TRP 67 CO 0.07 0.49 0.02 0.00 -3.56 0.00 0.00 178.44 175.47 2kob h ALA 68 N 1.51 0.44 -0.38 1.49 0.00 -0.42 0.23 119.26 122.12 2kob h ALA 68 Ca -0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2kob h ALA 68 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2kob h ALA 68 CO 0.06 0.17 0.24 1.49 0.00 0.00 0.00 179.25 181.21 2kob h GLU 69 N 0.38 0.47 -0.36 0.00 4.57 -0.91 -1.25 114.58 117.48 2kob h GLU 69 Ca 0.10 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 2kob h GLU 69 Cb 0.41 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2kob h GLU 69 CO 0.01 0.31 0.05 0.87 -1.18 0.00 0.00 179.01 179.07 2kob h LYS 70 N 0.48 0.54 -0.35 1.92 1.57 -0.68 -1.06 116.57 119.00 2kob h LYS 70 Ca 0.15 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2kob h LYS 70 Cb -0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2kob h LYS 70 CO -0.05 0.53 -0.07 0.35 -0.57 0.00 0.00 179.45 179.65 2kob h PHE 71 N 0.53 0.74 -0.50 -1.35 3.57 -0.04 0.30 116.94 120.18 2kob h PHE 71 Ca 0.12 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2kob h PHE 71 Cb 0.27 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2kob h PHE 71 CO 0.01 0.81 0.25 -0.07 -2.23 0.00 0.00 178.31 177.08 2kob h LEU 72 N 0.45 0.65 -0.41 0.59 3.38 -0.91 -1.59 115.31 117.48 2kob h LEU 72 Ca 0.09 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 2kob h LEU 72 Cb 0.56 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kob h LEU 72 CO 0.03 0.59 -0.66 0.11 0.09 0.00 0.00 178.44 178.60 2kob h LYS 73 N 0.67 0.54 -0.27 1.13 1.57 -1.09 0.16 116.57 119.28 2kob h LYS 73 Ca 0.17 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 2kob h LYS 73 Cb 0.10 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2kob h LYS 73 CO -0.02 1.02 -0.18 0.66 -0.57 0.00 0.00 179.45 180.35 2kob h SER 74 N 0.39 0.47 0.52 0.86 4.64 -0.29 0.13 113.55 120.26 2kob h SER 74 Ca -0.02 -0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 60.98 2kob h SER 74 Cb 1.24 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2kob h SER 74 CO 0.12 0.66 -0.81 0.11 -0.87 0.00 0.00 176.83 176.04 2kob h LYS 75 N 0.43 0.21 -0.71 4.77 1.79 -1.16 0.20 116.57 122.11 2kob h LYS 75 Ca 0.07 -0.21 -0.05 0.00 -2.18 0.00 0.00 60.65 58.29 2kob h LYS 75 Cb 0.56 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 2kob h LYS 75 CO 0.04 0.91 0.25 1.49 -1.08 0.00 0.00 179.45 181.06 2kob h GLU 76 N 0.13 1.07 0.00 3.15 4.81 -0.34 0.20 114.58 123.60 2kob h GLU 76 Ca -0.04 -0.20 -0.15 0.00 -0.13 0.00 0.00 59.36 58.84 2kob h GLU 76 Cb 1.41 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2kob h GLU 76 CO 0.12 0.89 -0.74 0.00 -0.73 0.00 0.00 179.01 178.56 2kob h ALA 77 N 1.23 0.68 -0.25 2.92 0.00 -0.69 -3.27 119.26 119.89 2kob h ALA 77 Ca 0.23 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2kob h ALA 77 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kob h ALA 77 CO -0.01 0.92 0.03 0.22 0.00 0.00 0.00 179.25 180.41 2kob h ASP 78 N 0.00 0.40 0.00 0.00 1.82 0.14 -3.48 116.42 115.30 2kob h ASP 78 Ca -0.01 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 2kob h ASP 78 Cb 1.39 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.29 2kob h ASP 78 CO 0.10 0.57 0.00 0.61 -1.61 0.00 0.00 179.24 178.90 2kob n GLY 79 N -0.43 0.41 3.87 -0.78 0.00 0.64 -5.06 105.19 103.83 2kob n GLY 79 Ca -0.03 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 5.38 0.82 1.61 -7.23 -0.96 -5.04 120.40 114.98 2kob s VAL 80 Ca 0.00 0.09 -0.14 0.00 -1.81 0.00 0.00 61.98 60.12 2kob s VAL 80 Cb 0.00 -3.38 0.06 0.00 0.56 0.00 0.00 36.38 33.62 2kob s VAL 80 CO 0.00 0.55 0.99 -1.20 -0.31 0.00 0.00 175.10 175.14 2kob n SER 81 N 1.77 0.26 -0.20 4.85 7.64 -1.26 -4.68 113.62 122.00 2kob n SER 81 Ca -0.18 0.55 -0.04 0.00 1.01 0.00 0.00 58.87 60.21 2kob n SER 81 Cb 0.54 -1.42 0.06 0.00 -1.01 0.00 0.00 64.21 62.38 2kob n SER 81 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2kob h VAL 82 N -0.93 1.04 -0.20 0.44 3.04 -1.99 0.46 116.25 118.11 2kob h VAL 82 Ca -0.46 -0.23 -0.07 0.00 -1.01 0.00 0.00 66.70 64.93 2kob h VAL 82 Cb 1.30 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2kob h VAL 82 CO 0.44 0.12 -0.20 0.28 -1.01 0.00 0.00 177.57 177.20 2kob h SER 83 N 0.67 0.34 -0.40 3.17 0.02 -1.98 -1.52 113.55 113.84 2kob h SER 83 Ca 0.24 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 2kob h SER 83 Cb 0.06 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2kob h SER 83 CO -0.12 0.55 -0.26 -0.61 -1.14 0.00 0.00 176.83 175.25 2kob h GLN 84 N 0.31 0.92 -0.17 3.45 5.75 -1.49 0.15 115.11 124.03 2kob h GLN 84 Ca 0.05 -0.41 -0.10 0.00 -0.15 0.00 0.00 58.65 58.04 2kob h GLN 84 Cb 0.54 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 2kob h GLN 84 CO 0.04 1.06 -0.34 1.25 -2.65 0.00 0.00 178.83 178.18 2kob h LEU 85 N 0.78 0.36 -0.30 -2.39 5.85 -0.63 -1.80 115.31 117.19 2kob h LEU 85 Ca 0.09 -0.14 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 2kob h LEU 85 Cb 0.82 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2kob h LEU 85 CO 0.07 0.69 -0.86 0.78 -0.34 0.00 0.00 178.44 178.78 2kob h ASN 86 N 0.30 0.06 -0.29 1.25 2.35 -0.85 -0.01 115.58 118.39 2kob h ASN 86 Ca 0.04 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 2kob h ASN 86 Cb 0.76 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2kob h ASN 86 CO 0.06 0.89 -0.39 0.77 -1.65 0.00 0.00 177.43 177.10 2kob h SER 87 N 0.02 0.90 -0.68 5.81 4.64 -0.54 0.72 113.55 124.43 2kob h SER 87 Ca -0.02 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2kob h SER 87 Cb 1.50 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2kob h SER 87 CO 0.12 1.18 0.43 1.88 -0.87 0.00 0.00 176.83 179.57 2kob h TYR 88 N 0.69 0.88 -0.72 4.77 0.05 -1.24 -1.32 116.97 120.08 2kob h TYR 88 Ca 0.06 0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.93 2kob h TYR 88 Cb 0.97 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 38.35 2kob h TYR 88 CO 0.06 0.58 0.36 -0.22 -1.05 0.00 0.00 178.16 177.89 2kob h LYS 89 N 0.92 0.60 0.59 4.88 1.63 -0.60 -2.05 116.57 122.54 2kob h LYS 89 Ca 0.25 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.98 2kob h LYS 89 Cb -0.06 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 31.44 2kob h LYS 89 CO -0.05 0.40 -0.28 -0.97 -3.45 0.00 0.00 179.45 175.10 2kob h ASN 90 N 0.62 -0.67 -0.61 4.20 -1.24 -0.30 -2.35 115.58 115.24 2kob h ASN 90 Ca 0.35 -0.03 0.09 0.00 0.71 0.00 0.00 56.30 57.42 2kob h ASN 90 Cb 0.36 0.17 -0.07 0.00 0.73 0.00 0.00 38.32 39.51 2kob h ASN 90 CO -0.26 -0.35 0.25 1.88 -1.29 0.00 0.00 177.43 177.66 2kob h TYR 91 N -0.99 0.45 -0.38 0.67 0.05 -1.10 0.32 116.97 115.99 2kob h TYR 91 Ca -0.08 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.63 2kob h TYR 91 Cb 0.66 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 2kob h TYR 91 CO -0.00 0.14 -0.16 0.00 -1.05 0.00 0.00 178.16 177.09 2kob n ARG 93 N -4.30 0.65 -0.05 0.00 0.63 -0.89 -2.97 116.66 109.73 2kob n ARG 93 Ca -0.02 0.06 -0.02 0.00 -0.92 0.00 0.00 57.85 56.95 2kob n ARG 93 Cb 0.40 -1.67 -0.01 0.00 0.45 0.00 0.00 32.46 31.63 2kob n ARG 93 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 2kob h ASN 94 N 0.00 0.00 0.16 6.15 -0.73 -0.46 -3.35 115.58 117.35 2kob h ASN 94 Ca -0.20 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 57.63 2kob h ASN 94 Cb 1.55 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.14 2kob h ASN 94 CO 0.03 0.54 -1.76 0.45 -0.37 0.00 0.00 177.43 176.31 2kob h HIS 95 N -0.84 0.61 -0.26 0.67 3.86 -1.60 -3.34 115.15 114.25 2kob h HIS 95 Ca 0.00 -0.44 -0.02 0.00 -1.16 0.00 0.00 60.37 58.75 2kob h HIS 95 Cb 0.24 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 2kob h HIS 95 CO -0.10 1.69 0.02 1.28 0.86 0.00 0.00 177.93 181.68 2kob n LEU 96 N -3.63 3.13 -0.16 2.43 4.77 -0.47 -4.43 117.00 118.64 2kob n LEU 96 Ca -0.27 -1.59 -0.06 0.00 -0.03 0.00 0.00 56.01 54.06 2kob n LEU 96 Cb 1.04 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2kob n LEU 96 CO 0.47 0.44 1.04 0.77 -1.33 0.00 0.00 177.39 178.78 2kob h SER 97 N 1.56 0.45 -0.38 -1.43 4.64 -1.66 -0.61 113.55 116.12 2kob h SER 97 Ca 0.02 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2kob h SER 97 Cb 1.18 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2kob h SER 97 CO 0.23 0.32 0.20 1.55 -0.87 0.00 0.00 176.83 178.26 2kob h PRO 98 N 0.56 0.57 -0.04 4.77 0.13 -1.90 -2.34 132.00 133.75 2kob h PRO 98 Ca 0.20 -0.06 -0.18 0.00 -0.87 0.00 0.00 66.00 65.09 2kob h PRO 98 Cb 0.04 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.04 2kob h PRO 98 CO -0.10 0.44 -0.75 -0.07 -0.23 0.00 0.00 178.00 177.29 2kob h LEU 99 N 0.57 0.32 -2.35 1.56 3.38 -1.73 -2.86 115.31 114.20 2kob h LEU 99 Ca 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2kob h LEU 99 Cb 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2kob h LEU 99 CO -0.02 0.96 -0.00 0.22 0.09 0.00 0.00 178.44 179.68 2kob h TYR 100 N 0.17 0.00 -0.44 1.13 5.03 -0.57 0.17 116.97 122.46 2kob h TYR 100 Ca -0.03 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.28 2kob h TYR 100 Cb 1.33 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.61 2kob h TYR 100 CO 0.03 0.00 0.00 -1.33 -1.32 0.00 0.00 178.16 175.55 2kob n MET 101 N -3.99 2.33 -3.90 1.82 0.00 -1.08 -3.10 117.12 109.19 2kob n MET 101 Ca -0.03 -2.03 -0.22 0.00 0.00 0.00 0.00 57.70 55.42 2kob n MET 101 Cb 0.09 -1.48 -0.05 0.00 0.00 0.00 0.00 33.22 31.78 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 -1.43 2.50 0.15 0.03 1.02 0.05 -5.04 119.74 117.02 2kob s LYS 102 Ca 0.38 -1.50 -0.07 0.00 0.02 0.00 0.00 55.97 54.80 2kob s LYS 102 Cb 0.21 -2.29 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 2kob s LYS 102 CO 0.29 0.01 0.42 0.45 -0.92 0.00 0.00 175.35 175.61 2kob s SER 103 N -3.96 6.55 0.15 2.83 0.15 -1.26 -1.86 113.70 116.29 2kob s SER 103 Ca 0.41 0.71 -0.22 0.00 0.70 0.00 0.00 55.95 57.55 2kob s SER 103 Cb -0.03 -2.14 0.02 0.00 -1.71 0.00 0.00 66.02 62.17 2kob s SER 103 CO 0.25 0.04 1.65 0.25 1.20 0.00 0.00 173.24 176.63 2kob h LEU 104 N 2.91 -0.62 -0.07 3.45 5.85 -0.60 -2.02 115.31 124.21 2kob h LEU 104 Ca -0.47 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2kob h LEU 104 Cb 1.17 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2kob h LEU 104 CO 0.71 -0.23 -0.11 -1.20 -0.34 0.00 0.00 178.44 177.27 2kob n SER 105 N -5.34 0.22 -1.14 1.25 7.64 -1.26 -3.27 113.62 111.71 2kob n SER 105 Ca -0.01 -0.10 0.08 0.00 1.01 0.00 0.00 58.87 59.85 2kob n SER 105 Cb 0.26 -0.21 0.28 0.00 -1.01 0.00 0.00 64.21 63.53 2kob n SER 105 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2kob n GLU 106 N -1.28 3.33 -3.16 1.43 -0.00 -0.77 -4.92 120.64 115.26 2kob n GLU 106 Ca 0.11 -2.67 -0.39 0.00 -0.00 0.00 0.00 57.16 54.20 2kob n GLU 106 Cb 0.30 -1.74 -0.05 0.00 -0.00 0.00 0.00 31.44 29.95 2kob n GLU 106 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2kob s ILE 107 N -1.98 4.89 0.08 3.84 1.01 -1.13 -4.85 121.20 123.06 2kob s ILE 107 Ca 0.41 1.31 0.03 0.00 0.00 0.00 0.00 60.65 62.40 2kob s ILE 107 Cb 0.28 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2kob s ILE 107 CO 0.17 0.40 0.09 -0.76 0.00 0.00 0.00 174.94 174.84 2kob s LEU 108 N -0.11 3.83 0.56 2.97 1.43 -1.26 -4.90 118.68 121.21 2kob s LEU 108 Ca 0.32 -0.00 0.26 0.00 -1.03 0.00 0.00 54.13 53.69 2kob s LEU 108 Cb -0.18 -2.50 1.64 0.00 0.03 0.00 0.00 46.19 45.17 2kob s LEU 108 CO 0.18 0.17 2.20 -0.65 0.23 0.00 0.00 176.35 178.48 2kob h PRO 109 N 3.25 0.00 -0.63 1.29 0.11 -1.95 -2.10 132.00 131.97 2kob h PRO 109 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2kob h PRO 109 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2kob h PRO 109 CO 0.66 0.03 0.11 0.00 -0.21 0.00 0.00 178.00 178.59 2kob h ALA 110 N 1.97 1.01 -0.03 -0.75 0.00 -1.93 0.67 119.26 120.20 2kob h ALA 110 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kob h ALA 110 Cb 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2kob h ALA 110 CO 0.00 0.63 0.02 -0.44 0.00 0.00 0.00 179.25 179.46 2kob h ASP 111 N 0.96 0.04 -0.56 0.00 3.32 -1.79 -0.43 116.42 117.96 2kob h ASP 111 Ca 0.20 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2kob h ASP 111 Cb 0.40 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2kob h ASP 111 CO 0.01 0.12 0.28 0.40 -1.72 0.00 0.00 179.24 178.33 2kob h ILE 112 N -0.05 1.20 -0.80 0.35 2.04 -1.44 -1.43 117.51 117.39 2kob h ILE 112 Ca 0.01 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2kob h ILE 112 Cb 0.09 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2kob h ILE 112 CO -0.00 0.23 0.44 -0.61 0.00 0.00 0.00 178.15 178.21 2kob h GLN 113 N 0.76 1.10 -0.73 2.37 5.75 -0.73 0.11 115.11 123.74 2kob h GLN 113 Ca 0.19 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 2kob h GLN 113 Cb 0.11 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 2kob h GLN 113 CO -0.03 0.80 0.33 0.77 -2.65 0.00 0.00 178.83 178.05 2kob h SER 114 N 1.11 0.97 -0.49 -0.69 0.02 -0.56 -0.27 113.55 113.64 2kob h SER 114 Ca 0.28 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2kob h SER 114 Cb 0.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2kob h SER 114 CO -0.05 0.85 0.23 0.40 -1.14 0.00 0.00 176.83 177.12 2kob h ILE 115 N 1.03 1.19 -0.35 3.27 2.04 -0.42 0.17 117.51 124.44 2kob h ILE 115 Ca 0.25 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.56 2kob h ILE 115 Cb 0.16 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2kob h ILE 115 CO -0.03 0.22 0.20 0.40 0.00 0.00 0.00 178.15 178.94 2kob h ILE 116 N 0.65 1.02 0.00 -0.67 1.08 -0.60 0.11 117.51 119.10 2kob h ILE 116 Ca 0.17 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.45 2kob h ILE 116 Cb 0.13 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 2kob h ILE 116 CO -0.02 0.07 -0.24 -1.13 -0.69 0.00 0.00 178.15 176.15 2kob h ASN 117 N 0.40 0.00 1.90 1.72 -0.73 -0.85 -2.37 115.58 115.65 2kob h ASN 117 Ca 0.14 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 2kob h ASN 117 Cb 0.02 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.60 2kob h ASN 117 CO -0.07 0.24 -0.07 -0.33 -0.37 0.00 0.00 177.43 176.83 2kob h GLU 118 N 0.00 0.00 -6.39 6.67 4.39 -0.14 -3.43 114.58 115.69 2kob h GLU 118 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2kob h GLU 118 Cb 0.94 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.54 2kob h GLU 118 CO 0.03 0.07 1.07 0.99 -1.16 0.00 0.00 179.01 180.01 2kob s THR 119 N -3.19 3.90 -0.37 1.13 2.01 0.33 -4.88 115.64 114.58 2kob s THR 119 Ca 0.06 0.98 0.05 0.00 0.31 0.00 0.00 61.69 63.10 2kob s THR 119 Cb 0.05 -4.03 0.49 0.00 0.01 0.00 0.00 72.50 69.03 2kob s THR 119 CO 0.68 -0.52 1.53 2.29 -0.69 0.00 0.00 174.62 177.90 2kob n LYS 120 N 7.74 2.48 -1.97 4.92 2.85 -1.26 -4.90 118.16 128.02 2kob n LYS 120 Ca 0.17 -2.08 -0.13 0.00 -1.05 0.00 0.00 58.31 55.22 2kob n LYS 120 Cb 0.47 -1.88 0.06 0.00 -0.65 0.00 0.00 35.03 33.03 2kob n LYS 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kob n LEU 121 N -0.26 0.00 -4.96 -5.58 7.99 -1.26 -5.11 117.00 107.82 2kob n LEU 121 Ca 0.33 -1.38 -0.25 0.00 -0.01 0.00 0.00 56.01 54.70 2kob n LEU 121 Cb 1.16 -0.33 0.10 0.00 -0.11 0.00 0.00 43.42 44.24 2kob n LEU 121 CO 0.35 -0.72 0.61 0.00 -1.51 0.00 0.00 177.39 176.12 2kob s ALA 122 N -2.74 3.27 0.22 -1.18 0.00 -1.26 -4.82 121.76 115.25 2kob s ALA 122 Ca 0.38 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 2kob s ALA 122 Cb -0.03 -2.37 0.33 0.00 0.00 0.00 0.00 23.12 21.06 2kob s ALA 122 CO 0.25 -1.49 1.65 -0.22 0.00 0.00 0.00 175.76 175.95 2kob h LYS 123 N -0.68 0.10 -0.73 0.00 3.64 -1.97 -1.11 116.57 115.82 2kob h LYS 123 Ca -0.41 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 2kob h LYS 123 Cb 1.28 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 2kob h LYS 123 CO 0.49 0.06 0.27 -0.91 -2.27 0.00 0.00 179.45 177.09 2kob h ASN 124 N 0.10 1.02 -0.54 4.20 4.21 -1.99 -1.68 115.58 120.90 2kob h ASN 124 Ca 0.35 -0.19 -0.11 0.00 1.21 0.00 0.00 56.30 57.57 2kob h ASN 124 Cb 0.58 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.49 2kob h ASN 124 CO -0.58 0.93 -0.07 0.74 -1.29 0.00 0.00 177.43 177.15 2kob h THR 125 N 1.05 1.27 -0.43 2.81 2.02 -1.70 -1.04 112.91 116.89 2kob h THR 125 Ca 0.24 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 66.20 2kob h THR 125 Cb 0.25 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2kob h THR 125 CO -0.02 0.44 0.28 -0.07 0.37 0.00 0.00 175.52 176.52 2kob h LEU 126 N 0.92 0.48 -0.91 2.58 3.38 -0.80 -1.59 115.31 119.37 2kob h LEU 126 Ca 0.15 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2kob h LEU 126 Cb 0.63 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2kob h LEU 126 CO 0.04 0.35 -0.54 0.11 0.09 0.00 0.00 178.44 178.50 2kob h LYS 127 N 0.57 0.00 -0.25 1.13 1.57 -1.19 -0.43 116.57 117.97 2kob h LYS 127 Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2kob h LYS 127 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2kob h LYS 127 CO -0.04 0.54 0.12 0.00 -0.57 0.00 0.00 179.45 179.50 2kob h ALA 128 N 1.46 0.32 -0.61 3.86 0.00 -0.68 0.18 119.26 123.80 2kob h ALA 128 Ca -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2kob h ALA 128 Cb 0.97 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2kob h ALA 128 CO 0.07 -0.11 0.10 0.82 0.00 0.00 0.00 179.25 180.13 2kob h ILE 129 N 0.27 1.26 0.39 0.00 2.04 -1.09 -1.89 117.51 118.50 2kob h ILE 129 Ca 0.09 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2kob h ILE 129 Cb 0.13 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2kob h ILE 129 CO -0.01 0.37 -0.33 -0.09 0.00 0.00 0.00 178.15 178.09 2kob h ARG 130 N 0.92 -0.70 -0.38 2.37 9.65 -0.77 -0.75 114.38 124.72 2kob h ARG 130 Ca 0.19 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.13 2kob h ARG 130 Cb 0.42 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 2kob h ARG 130 CO 0.01 -0.47 0.23 -0.97 2.80 0.00 0.00 179.97 181.57 2kob h ASN 131 N -0.73 0.37 0.14 -3.80 -1.24 -0.62 0.19 115.58 109.90 2kob h ASN 131 Ca -0.03 0.00 0.01 0.00 0.71 0.00 0.00 56.30 56.99 2kob h ASN 131 Cb 0.63 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.58 2kob h ASN 131 CO -0.02 0.27 -0.21 0.74 -1.29 0.00 0.00 177.43 176.92 2kob h THR 132 N 0.46 0.53 -0.40 -3.57 2.02 -1.21 0.02 112.91 110.76 2kob h THR 132 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2kob h THR 132 Cb -0.00 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2kob h THR 132 CO -0.06 0.00 0.12 0.00 0.37 0.00 0.00 175.52 175.95 2kob h ALA 133 N 0.37 1.47 -0.27 6.16 0.00 -0.96 -2.39 119.26 123.64 2kob h ALA 133 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2kob h ALA 133 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kob h ALA 133 CO -0.10 0.40 0.11 1.03 0.00 0.00 0.00 179.25 180.69 2kob h SER 134 N 0.57 0.38 -0.97 0.00 0.87 -0.29 -2.73 113.55 111.38 2kob h SER 134 Ca 0.14 -0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2kob h SER 134 Cb 0.18 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 2kob h SER 134 CO -0.01 0.44 0.63 1.56 -0.53 0.00 0.00 176.83 178.93 2kob h GLN 135 N 0.29 1.29 -0.07 2.24 1.08 -0.53 -0.02 115.11 119.38 2kob h GLN 135 Ca 0.09 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2kob h GLN 135 Cb 0.18 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2kob h GLN 135 CO -0.01 0.86 0.01 0.82 -0.95 0.00 0.00 178.83 179.56 2kob h ILE 136 N 1.32 0.96 -0.67 2.54 2.04 -1.26 0.20 117.51 122.65 2kob h ILE 136 Ca 0.35 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 66.16 2kob h ILE 136 Cb -0.13 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2kob h ILE 136 CO -0.07 0.01 0.26 -0.26 0.00 0.00 0.00 178.15 178.08 2kob h PHE 137 N 0.04 1.02 -0.71 1.37 0.04 -1.18 -2.41 116.94 115.11 2kob h PHE 137 Ca 0.03 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.73 2kob h PHE 137 Cb 0.03 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.84 2kob h PHE 137 CO -0.11 0.80 0.47 0.00 -0.60 0.00 0.00 178.31 178.87 2kob h ARG 138 N 0.94 0.92 -0.90 1.51 3.08 -0.55 -0.13 114.38 119.26 2kob h ARG 138 Ca 0.22 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.22 2kob h ARG 138 Cb 0.22 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2kob h ARG 138 CO -0.02 0.61 0.58 1.25 -1.07 0.00 0.00 179.97 181.33 2kob h LEU 139 N 0.95 1.04 -0.55 3.04 5.85 -0.37 0.59 115.31 125.87 2kob h LEU 139 Ca 0.26 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.83 2kob h LEU 139 Cb -0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 2kob h LEU 139 CO -0.06 0.77 -0.15 0.00 -0.34 0.00 0.00 178.44 178.65 2kob h ALA 140 N 1.42 0.75 -0.77 1.25 0.00 -0.85 -2.76 119.26 118.29 2kob h ALA 140 Ca 0.33 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kob h ALA 140 Cb -0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2kob h ALA 140 CO -0.07 0.67 0.32 0.82 0.00 0.00 0.00 179.25 180.99 2kob h ILE 141 N 0.88 1.25 -0.64 0.00 2.04 -0.34 0.57 117.51 121.29 2kob h ILE 141 Ca 0.13 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.29 2kob h ILE 141 Cb 0.72 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 2kob h ILE 141 CO 0.06 0.32 0.28 -0.33 0.00 0.00 0.00 178.15 178.48 2kob h GLU 142 N 1.12 0.48 -0.14 2.37 4.39 -0.66 0.56 114.58 122.70 2kob h GLU 142 Ca 0.26 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.93 2kob h GLU 142 Cb 0.19 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2kob h GLU 142 CO -0.02 0.31 0.00 0.09 -1.16 0.00 0.00 179.01 178.23 2kob n ASN 143 N -4.93 1.06 -2.25 1.42 3.02 -1.02 -4.88 115.26 107.68 2kob n ASN 143 Ca 0.09 -1.75 -0.19 0.00 -0.03 0.00 0.00 54.58 52.70 2kob n ASN 143 Cb 0.26 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.02 -1.74 0.20 3.52 1.74 0.19 -4.84 116.66 115.71 2kob n ARG 144 Ca 0.12 0.96 0.08 0.00 -0.77 0.00 0.00 57.85 58.24 2kob n ARG 144 Cb 0.21 -5.55 0.25 0.00 -1.02 0.00 0.00 32.46 26.34 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 0.85 0.89 -2.73 7.54 0.00 -1.13 -3.44 119.26 121.23 2kob h ALA 145 Ca -0.44 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 2kob h ALA 145 Cb 1.31 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.84 2kob h ALA 145 CO 0.54 0.31 -0.29 -1.50 0.00 0.00 0.00 179.25 178.31 2kob s ILE 146 N -3.30 0.02 -0.22 0.00 2.07 -1.20 -4.31 121.20 114.26 2kob s ILE 146 Ca 0.03 -0.19 0.12 0.00 -1.41 0.00 0.00 60.65 59.21 2kob s ILE 146 Cb 0.08 -0.54 0.44 0.00 0.13 0.00 0.00 42.46 42.57 2kob s ILE 146 CO 0.68 -0.10 1.32 -0.67 -1.91 0.00 0.00 174.94 174.25 2kob n ASP 147 N 2.24 2.30 -3.90 4.50 2.03 -1.26 -3.70 116.55 118.76 2kob n ASP 147 Ca -0.16 -3.64 -0.15 0.00 0.52 0.00 0.00 54.79 51.35 2kob n ASP 147 Cb 0.57 -0.55 -0.15 0.00 -0.72 0.00 0.00 41.12 40.27 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 -3.15 0.32 -0.52 -0.67 5.36 -1.26 -5.11 117.98 112.96 2kob s PHE 148 Ca 0.40 -0.05 0.04 0.00 -0.96 0.00 0.00 56.93 56.36 2kob s PHE 148 Cb 0.37 -0.27 0.13 0.00 -0.34 0.00 0.00 43.02 42.91 2kob s PHE 148 CO -0.01 -0.04 0.26 1.21 -1.46 0.00 0.00 175.22 175.17 2kob s ASN 149 N 0.24 4.30 0.57 6.13 3.04 -1.26 -4.92 114.94 123.04 2kob s ASN 149 Ca -0.02 -3.01 0.33 0.00 0.04 0.00 0.00 52.86 50.20 2kob s ASN 149 Cb -0.05 -1.63 1.68 0.00 -1.54 0.00 0.00 41.25 39.72 2kob s ASN 149 CO -0.01 -0.23 2.14 -0.65 -3.04 0.00 0.00 177.10 175.31 2kob h PRO 150 N 6.50 0.00 0.00 0.43 0.11 -1.97 -2.55 132.00 134.52 2kob h PRO 150 Ca -0.08 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 2kob h PRO 150 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2kob h PRO 150 CO 0.69 0.06 -0.23 0.00 -0.21 0.00 0.00 178.00 178.31 2kob h ALA 151 N 1.94 1.37 0.00 -0.75 0.00 -1.93 -2.38 119.26 117.50 2kob h ALA 151 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2kob h ALA 151 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kob h ALA 151 CO 0.01 0.28 -0.31 0.22 0.00 0.00 0.00 179.25 179.45 2kob h ASP 152 N 0.00 0.00 -0.02 0.00 3.58 -1.87 -2.47 116.42 115.65 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 0.03 0.31 0.00 -1.22 -2.88 0.00 0.00 179.24 175.48 2kob n TYR 153 N -3.49 0.01 -2.93 0.28 4.01 -0.90 -4.73 117.16 109.40 2kob n TYR 153 Ca -0.00 -0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 2kob n TYR 153 Cb 0.47 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.99 4.56 -0.09 -0.72 1.01 -0.93 -4.98 120.40 117.25 2kob s VAL 154 Ca 0.40 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 2kob s VAL 154 Cb 0.21 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2kob s VAL 154 CO 0.34 -0.92 0.58 -0.60 0.00 0.00 0.00 175.10 174.49 2kob s ARG 155 N 3.50 4.38 -0.34 2.72 6.06 -1.26 -5.05 118.95 128.96 2kob s ARG 155 Ca 0.28 0.65 -0.15 0.00 -2.50 0.00 0.00 55.73 54.00 2kob s ARG 155 Cb -0.13 -3.43 -0.01 0.00 0.06 0.00 0.00 34.95 31.43 2kob s ARG 155 CO 0.19 0.14 0.37 0.42 -2.50 0.00 0.00 175.30 173.93 2kob s ILE 156 N 0.62 5.16 0.22 4.11 -1.09 -1.26 -5.04 121.20 123.92 2kob s ILE 156 Ca 0.31 0.10 -0.23 0.00 -2.23 0.00 0.00 60.65 58.60 2kob s ILE 156 Cb -0.16 -3.82 -0.08 0.00 -1.58 0.00 0.00 42.46 36.81 2kob s ILE 156 CO 0.14 -0.08 0.79 -2.16 -1.23 0.00 0.00 174.94 172.40 2kob s PRO 157 N 2.05 4.45 -0.09 2.79 0.04 -1.26 -4.96 135.00 138.02 2kob s PRO 157 Ca 0.12 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.29 2kob s PRO 157 Cb -0.16 -3.02 0.28 0.00 0.04 0.00 0.00 34.50 31.64 2kob s PRO 157 CO 0.12 0.44 0.97 1.63 0.04 0.00 0.00 177.00 180.20 2kob n LYS 158 N 1.03 2.26 0.00 4.56 5.02 -1.26 -4.84 118.16 124.93 2kob n LYS 158 Ca -0.03 -1.08 0.00 0.00 -2.02 0.00 0.00 58.31 55.18 2kob n LYS 158 Cb 0.50 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 0.19 0.00 -1.40 -0.18 -0.00 -1.26 -4.96 119.36 111.74 2kob n ILE 159 Ca 0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.56 2kob n ILE 159 Cb 0.61 0.00 0.13 0.00 -0.00 0.00 0.00 39.64 40.38 2kob n ILE 159 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2kob s ALA 160 N -0.02 1.75 -0.68 -1.39 0.00 -1.26 -4.91 121.76 115.25 2kob s ALA 160 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 2kob s ALA 160 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 2kob s ALA 160 CO 0.00 -2.20 3.11 1.28 0.00 0.00 0.00 175.76 177.95 2kob n LEU 161 N -3.75 6.76 -0.27 0.00 4.77 -1.26 -4.59 117.00 118.66 2kob n LEU 161 Ca 0.07 -3.90 0.03 0.00 -0.03 0.00 0.00 56.01 52.18 2kob n LEU 161 Cb 0.57 -1.41 0.17 0.00 -2.33 0.00 0.00 43.42 40.42 2kob n LEU 161 CO 0.57 1.85 1.10 -0.33 -1.33 0.00 0.00 177.39 179.25 2kob h GLU 162 N 3.71 0.66 -3.55 3.23 5.08 -1.98 -3.33 114.58 118.39 2kob h GLU 162 Ca 0.47 -0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 58.19 2kob h GLU 162 Cb 0.88 -0.15 -0.40 0.00 0.50 0.00 0.00 28.75 29.58 2kob h GLU 162 CO 0.92 0.43 -0.75 -3.38 -1.00 0.00 0.00 179.01 175.24 2kob s HIS 163 N -6.03 2.06 -1.18 4.33 -3.43 -1.26 -5.04 115.29 104.74 2kob s HIS 163 Ca -0.12 -2.10 -0.11 0.00 -0.80 0.00 0.00 55.06 51.92 2kob s HIS 163 Cb 0.19 -1.93 0.22 0.00 -1.43 0.00 0.00 32.58 29.63 2kob s HIS 163 CO 0.77 -0.86 1.35 -2.39 -2.00 0.00 0.00 174.74 171.61 2kob n HIS 164 N 4.41 4.91 -2.75 0.38 1.44 -1.25 -4.73 115.22 117.62 2kob n HIS 164 Ca 0.02 -3.51 -0.05 0.00 -2.01 0.00 0.00 57.72 52.17 2kob n HIS 164 Cb 0.40 -1.97 0.02 0.00 0.12 0.00 0.00 29.99 28.55 2kob n HIS 164 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kob n HIS 165 N 4.34 -3.51 -2.62 -1.40 -0.00 -1.26 -5.08 115.22 105.69 2kob n HIS 165 Ca 0.32 -1.37 -0.43 0.00 -0.00 0.00 0.00 57.72 56.24 2kob n HIS 165 Cb 0.41 1.47 0.00 0.00 -0.00 0.00 0.00 29.99 31.87 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 2.68 3.44 -3.66 1.57 -0.00 -1.26 -4.88 115.22 113.11 2kob n HIS 166 Ca 0.16 -2.95 -0.13 0.00 0.46 0.00 0.00 57.72 55.25 2kob n HIS 166 Cb 0.58 -1.90 -0.08 0.00 -0.12 0.00 0.00 29.99 28.47 2kob n HIS 166 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kob s HIS 167 N 0.16 -0.69 0.00 1.57 3.76 -1.26 -5.33 115.29 113.50 2kob s HIS 167 Ca 0.39 1.66 0.00 0.00 -0.15 0.00 0.00 55.06 56.96 2kob s HIS 167 Cb 0.05 0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.99 2kob s HIS 167 CO 0.01 -0.33 0.00 1.58 -0.85 0.00 0.00 174.74 175.15