#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksm n ALA 74 N 0.00 0.00 -0.66 4.61 0.00 -1.26 -4.73 120.51 118.47 2ksm n ALA 74 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2ksm n ALA 74 Cb 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 2ksm n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ksm n SER 75 N -0.80 -3.94 -4.89 0.00 7.64 -1.26 -4.76 113.62 105.62 2ksm n SER 75 Ca 0.00 0.69 -0.34 0.00 1.01 0.00 0.00 58.87 60.23 2ksm n SER 75 Cb 0.40 -2.18 -0.05 0.00 -1.01 0.00 0.00 64.21 61.37 2ksm n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ksm s ALA 76 N -1.56 3.85 -0.30 -0.43 0.00 -1.26 -4.99 121.76 117.07 2ksm s ALA 76 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2ksm s ALA 76 Cb 0.00 -2.06 0.29 0.00 0.00 0.00 0.00 23.12 21.35 2ksm s ALA 76 CO 0.00 0.67 1.78 -0.11 0.00 0.00 0.00 175.76 178.10 2ksm n LEU 77 N 0.89 5.88 -4.06 0.00 7.94 -1.26 -4.85 117.00 121.53 2ksm n LEU 77 Ca -0.09 -3.05 -0.22 0.00 -1.11 0.00 0.00 56.01 51.54 2ksm n LEU 77 Cb 0.52 -0.88 -0.15 0.00 0.53 0.00 0.00 43.42 43.44 2ksm n LEU 77 CO 0.43 1.05 -0.46 -0.94 -1.11 0.00 0.00 177.39 176.36 2ksm s SER 78 N -0.11 1.50 -0.11 1.96 1.04 -1.26 -4.93 113.70 111.78 2ksm s SER 78 Ca 0.33 -0.23 -0.06 0.00 0.48 0.00 0.00 55.95 56.46 2ksm s SER 78 Cb 0.26 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2ksm s SER 78 CO 0.02 0.12 0.14 -0.76 0.98 0.00 0.00 173.24 173.74 2ksm s LEU 79 N -0.06 4.35 0.23 2.42 1.02 -1.23 -4.48 118.68 120.92 2ksm s LEU 79 Ca 0.01 0.44 -0.31 0.00 0.02 0.00 0.00 54.13 54.29 2ksm s LEU 79 Cb -0.07 -2.12 -0.11 0.00 0.02 0.00 0.00 46.19 43.91 2ksm s LEU 79 CO 0.00 0.39 1.60 -0.94 0.02 0.00 0.00 176.35 177.42 2ksm s SER 80 N -1.13 6.47 0.42 2.29 1.04 0.25 -3.97 113.70 119.08 2ksm s SER 80 Ca 0.16 2.80 -0.26 0.00 0.48 0.00 0.00 55.95 59.13 2ksm s SER 80 Cb -0.12 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.29 2ksm s SER 80 CO 0.06 -0.87 1.46 -1.48 0.98 0.00 0.00 173.24 173.38 2ksm s LEU 81 N 0.40 4.19 0.11 2.42 2.34 -1.26 -4.60 118.68 122.27 2ksm s LEU 81 Ca 0.68 2.98 0.05 0.00 0.06 0.00 0.00 54.13 57.90 2ksm s LEU 81 Cb -0.46 -3.83 -0.04 0.00 -0.56 0.00 0.00 46.19 41.30 2ksm s LEU 81 CO 0.38 -1.07 -0.12 -0.76 -1.06 0.00 0.00 176.35 173.73 2ksm s LEU 82 N -2.48 2.40 -0.04 1.48 1.02 -1.00 -4.67 118.68 115.39 2ksm s LEU 82 Ca 0.58 -0.80 -0.01 0.00 0.02 0.00 0.00 54.13 53.92 2ksm s LEU 82 Cb -0.45 -0.41 0.03 0.00 0.02 0.00 0.00 46.19 45.38 2ksm s LEU 82 CO 0.59 -0.21 0.04 -0.55 0.02 0.00 0.00 176.35 176.24 2ksm s SER 83 N -2.41 0.87 -0.07 2.29 0.15 -1.15 -3.04 113.70 110.34 2ksm s SER 83 Ca 0.06 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2ksm s SER 83 Cb -0.04 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 2ksm s SER 83 CO 0.01 -0.20 -0.04 -0.63 1.20 0.00 0.00 173.24 173.59 2ksm s ILE 84 N 1.75 0.62 -0.07 6.45 1.01 -0.92 -2.05 121.20 127.99 2ksm s ILE 84 Ca -0.00 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.60 2ksm s ILE 84 Cb -0.12 -0.68 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 2ksm s ILE 84 CO -0.03 0.28 -0.21 -0.94 0.00 0.00 0.00 174.94 174.04 2ksm s SER 85 N 1.43 2.67 -0.17 3.58 1.04 0.18 -1.89 113.70 120.54 2ksm s SER 85 Ca -0.03 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 55.92 2ksm s SER 85 Cb -0.13 -1.04 0.05 0.00 0.10 0.00 0.00 66.02 65.00 2ksm s SER 85 CO -0.03 0.15 0.02 -0.13 0.98 0.00 0.00 173.24 174.24 2ksm s ARG 86 N 0.25 0.70 -0.10 4.02 0.52 -0.98 -1.57 118.95 121.80 2ksm s ARG 86 Ca -0.12 -0.35 0.08 0.00 -0.52 0.00 0.00 55.73 54.81 2ksm s ARG 86 Cb -0.16 -1.94 -0.11 0.00 0.52 0.00 0.00 34.95 33.26 2ksm s ARG 86 CO 0.06 -0.58 0.01 -1.13 0.02 0.00 0.00 175.30 173.68 2ksm n SER 87 N 5.05 2.66 0.00 0.23 3.41 -0.09 -2.02 113.62 122.86 2ksm n SER 87 Ca -0.09 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2ksm n SER 87 Cb 0.48 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 2ksm n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ksm n GLY 88 N 2.47 1.24 0.00 5.00 0.00 -1.04 -4.26 105.19 108.60 2ksm n GLY 88 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2ksm n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ksm n ASN 89 N 0.00 0.00 -4.65 1.61 3.02 -1.26 -4.66 115.26 109.32 2ksm n ASN 89 Ca 0.00 0.80 -0.25 0.00 -0.03 0.00 0.00 54.58 55.10 2ksm n ASN 89 Cb 0.00 -0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 38.80 2ksm n ASN 89 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ksm s THR 90 N -2.20 3.62 -0.05 3.41 -4.23 -1.26 -3.11 115.64 111.82 2ksm s THR 90 Ca 0.00 -1.59 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 2ksm s THR 90 Cb 0.00 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 2ksm s THR 90 CO 0.00 -0.19 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.01 2ksm s VAL 91 N -1.91 2.64 -0.25 2.29 1.01 -1.12 -4.06 120.40 119.00 2ksm s VAL 91 Ca 0.28 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2ksm s VAL 91 Cb -0.08 -2.00 0.07 0.00 0.00 0.00 0.00 36.38 34.36 2ksm s VAL 91 CO 0.19 0.58 -0.03 -0.89 0.00 0.00 0.00 175.10 174.95 2ksm s THR 92 N -0.54 1.50 -0.15 3.92 2.01 -0.61 -1.70 115.64 120.07 2ksm s THR 92 Ca 0.07 -1.29 -0.04 0.00 0.31 0.00 0.00 61.69 60.74 2ksm s THR 92 Cb -0.11 -1.82 0.07 0.00 0.01 0.00 0.00 72.50 70.64 2ksm s THR 92 CO 0.01 -0.19 0.16 -1.48 -0.69 0.00 0.00 174.62 172.43 2ksm s LEU 93 N 1.39 0.02 0.26 4.42 2.34 -1.15 0.47 118.68 126.44 2ksm s LEU 93 Ca -0.03 -0.10 0.11 0.00 0.06 0.00 0.00 54.13 54.17 2ksm s LEU 93 Cb -0.19 0.17 -0.05 0.00 -0.56 0.00 0.00 46.19 45.57 2ksm s LEU 93 CO -0.08 -0.30 -0.19 -0.63 -1.06 0.00 0.00 176.35 174.09 2ksm s ILE 94 N 2.26 2.33 -5.00 1.48 1.01 -0.87 -2.74 121.20 119.68 2ksm s ILE 94 Ca 0.04 -2.36 0.00 0.00 0.00 0.00 0.00 60.65 58.33 2ksm s ILE 94 Cb -0.14 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.08 2ksm s ILE 94 CO -0.09 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.04 2ksm n GLY 95 N -0.54 -0.13 2.94 6.18 0.00 -1.19 -2.94 105.19 109.50 2ksm n GLY 95 Ca -0.06 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 2ksm n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ksm s ASP 96 N -4.00 0.81 0.22 1.61 1.01 -1.26 -2.14 116.67 112.91 2ksm s ASP 96 Ca 0.00 -0.12 0.08 0.00 0.71 0.00 0.00 52.55 53.22 2ksm s ASP 96 Cb 0.00 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.66 2ksm s ASP 96 CO 0.00 0.02 0.03 -0.36 0.21 0.00 0.00 175.17 175.07 2ksm s PHE 97 N 0.30 2.83 0.04 4.23 0.40 0.34 -4.85 117.98 121.27 2ksm s PHE 97 Ca -0.04 -0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 55.96 2ksm s PHE 97 Cb -0.08 -1.31 -0.22 0.00 0.51 0.00 0.00 43.02 41.93 2ksm s PHE 97 CO -0.00 0.56 1.17 -1.00 0.70 0.00 0.00 175.22 176.65 2ksm h PRO 98 N 2.22 0.55 0.00 0.24 0.13 -1.81 0.28 132.00 133.60 2ksm h PRO 98 Ca -0.46 -0.54 -0.46 0.00 -0.87 0.00 0.00 66.00 63.67 2ksm h PRO 98 Cb 1.23 0.14 -0.11 0.00 0.13 0.00 0.00 31.00 32.39 2ksm h PRO 98 CO 0.59 1.16 -0.41 -3.47 -0.23 0.00 0.00 178.00 175.64 2ksm n ASP 99 N -4.10 0.33 -0.07 1.44 2.03 -1.26 -0.89 116.55 114.03 2ksm n ASP 99 Ca -0.10 -2.94 -0.15 0.00 0.52 0.00 0.00 54.79 52.12 2ksm n ASP 99 Cb 0.72 1.18 -0.14 0.00 -0.72 0.00 0.00 41.12 42.16 2ksm n ASP 99 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2ksm n GLU 100 N -0.70 0.68 0.30 -0.67 0.28 -1.26 -4.12 120.64 115.16 2ksm n GLU 100 Ca 0.01 0.17 0.17 0.00 -0.16 0.00 0.00 57.16 57.34 2ksm n GLU 100 Cb 0.54 -1.62 0.97 0.00 1.43 0.00 0.00 31.44 32.77 2ksm n GLU 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ksm h ALA 101 N 0.43 1.37 -0.02 -1.84 0.00 -2.03 -0.97 119.26 116.20 2ksm h ALA 101 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2ksm h ALA 101 Cb 2.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 2ksm h ALA 101 CO 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 179.25 179.25 2ksm h ALA 102 N 1.99 1.91 -0.36 0.00 0.00 -2.00 -1.69 119.26 119.11 2ksm h ALA 102 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2ksm h ALA 102 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ksm h ALA 102 CO 0.00 0.07 0.05 1.57 0.00 0.00 0.00 179.25 180.95 2ksm h LYS 103 N 0.03 0.54 -0.69 0.00 2.10 -1.40 -2.56 116.57 114.58 2ksm h LYS 103 Ca 0.01 -0.10 0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2ksm h LYS 103 Cb 0.08 -0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 31.28 2ksm h LYS 103 CO 0.00 0.52 0.46 0.00 -2.00 0.00 0.00 179.45 178.44 2ksm h ALA 104 N 1.54 1.59 -0.36 0.07 0.00 -1.44 1.12 119.26 121.78 2ksm h ALA 104 Ca 0.12 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2ksm h ALA 104 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ksm h ALA 104 CO 0.00 0.35 -0.33 0.00 0.00 0.00 0.00 179.25 179.27 2ksm h ALA 105 N 1.59 0.75 0.00 0.00 0.00 -1.55 -1.56 119.26 118.50 2ksm h ALA 105 Ca 0.27 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ksm h ALA 105 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ksm h ALA 105 CO -0.07 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 181.08 2ksm h LEU 106 N 0.67 -0.00 -0.61 0.00 6.46 -1.32 -3.34 115.31 117.16 2ksm h LEU 106 Ca 0.07 -0.83 0.12 0.00 -0.12 0.00 0.00 57.88 57.12 2ksm h LEU 106 Cb 0.87 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.69 2ksm h LEU 106 CO 0.08 0.90 -0.13 0.24 -0.62 0.00 0.00 178.44 178.90 2ksm h MET 107 N -0.98 0.01 -0.09 1.25 2.86 0.12 1.31 114.93 119.41 2ksm h MET 107 Ca -0.00 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2ksm h MET 107 Cb 0.83 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 2ksm h MET 107 CO 0.00 0.01 0.59 1.79 1.06 0.00 0.00 176.91 180.36 2ksm h THR 108 N 0.01 0.03 0.18 2.22 1.35 -1.40 1.37 112.91 116.68 2ksm h THR 108 Ca 0.29 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.84 2ksm h THR 108 Cb 0.45 0.43 0.03 0.00 -1.73 0.00 0.00 68.15 67.33 2ksm h THR 108 CO -0.61 0.00 -1.34 0.00 -0.25 0.00 0.00 175.52 173.32 2ksm h ALA 109 N 0.90 -0.04 -0.77 6.62 0.00 0.16 -3.26 119.26 122.87 2ksm h ALA 109 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2ksm h ALA 109 Cb 1.22 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2ksm h ALA 109 CO -0.00 0.74 0.49 -0.07 0.00 0.00 0.00 179.25 180.41 2ksm h LEU 110 N 0.19 0.90 -0.55 0.00 3.38 0.20 -1.59 115.31 117.84 2ksm h LEU 110 Ca -0.21 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2ksm h LEU 110 Cb 2.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 2ksm h LEU 110 CO 0.25 0.67 0.83 -1.13 0.09 0.00 0.00 178.44 179.16 2ksm h ASN 111 N 1.05 0.00 0.61 -0.43 -1.24 -1.49 2.38 115.58 116.47 2ksm h ASN 111 Ca 0.28 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 57.01 2ksm h ASN 111 Cb -0.08 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 2ksm h ASN 111 CO -0.06 0.00 -1.41 1.23 -1.29 0.00 0.00 177.43 175.91 2ksm h GLY 112 N 0.00 0.16 0.40 1.57 0.00 -1.48 -3.34 103.07 100.38 2ksm h GLY 112 Ca 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2ksm h GLY 112 CO -0.00 0.37 -1.66 -0.10 0.00 0.00 0.00 176.54 175.15 2ksm n LEU 113 N -3.36 0.35 -4.48 3.11 -0.00 0.73 -4.92 117.00 108.43 2ksm n LEU 113 Ca -0.12 0.14 -0.53 0.00 -0.00 0.00 0.00 56.01 55.50 2ksm n LEU 113 Cb 1.02 0.02 -0.08 0.00 -0.00 0.00 0.00 43.42 44.38 2ksm n LEU 113 CO 0.49 -0.01 1.68 -0.11 -0.00 0.00 0.00 177.39 179.44 2ksm n LEU 114 N -2.48 2.04 -4.59 -1.96 0.00 0.27 -4.93 117.00 105.35 2ksm n LEU 114 Ca -0.05 0.61 -0.24 0.00 0.00 0.00 0.00 56.01 56.33 2ksm n LEU 114 Cb 0.63 -1.19 -0.09 0.00 0.00 0.00 0.00 43.42 42.77 2ksm n LEU 114 CO 0.44 -0.65 -0.35 0.00 0.00 0.00 0.00 177.39 176.83 2ksm s ALA 115 N 6.21 3.08 -0.16 1.96 0.00 -1.26 -4.98 121.76 126.61 2ksm s ALA 115 Ca 1.08 -1.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 2ksm s ALA 115 Cb -0.99 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 2ksm s ALA 115 CO 0.55 0.16 1.66 -1.25 0.00 0.00 0.00 175.76 176.88 2ksm s PRO 116 N -3.66 3.89 0.00 0.00 0.04 -1.26 -1.81 135.00 132.20 2ksm s PRO 116 Ca 0.33 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2ksm s PRO 116 Cb -0.02 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2ksm s PRO 116 CO 0.18 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.44 2ksm n GLY 117 N 4.55 0.74 3.74 0.56 0.00 -1.26 -5.04 105.19 108.48 2ksm n GLY 117 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2ksm n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksm s VAL 118 N -2.50 3.60 -0.03 1.61 0.11 -0.75 -5.03 120.40 117.41 2ksm s VAL 118 Ca 0.00 1.41 -0.02 0.00 -2.93 0.00 0.00 61.98 60.44 2ksm s VAL 118 Cb 0.00 -3.90 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 2ksm s VAL 118 CO 0.00 0.26 0.13 0.20 -3.33 0.00 0.00 175.10 172.35 2ksm s ASN 119 N -0.15 6.05 -0.03 3.54 0.02 -1.18 -4.91 114.94 118.27 2ksm s ASN 119 Ca 0.50 0.28 0.05 0.00 -1.02 0.00 0.00 52.86 52.67 2ksm s ASN 119 Cb -0.32 -1.84 -0.01 0.00 0.02 0.00 0.00 41.25 39.10 2ksm s ASN 119 CO 0.38 0.29 -0.19 -0.69 0.02 0.00 0.00 177.10 176.91 2ksm s VAL 120 N -1.21 1.53 -0.47 1.60 1.01 -1.26 -2.81 120.40 118.78 2ksm s VAL 120 Ca 0.23 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2ksm s VAL 120 Cb -0.12 -1.29 0.18 0.00 0.00 0.00 0.00 36.38 35.15 2ksm s VAL 120 CO 0.14 0.44 0.41 -0.38 0.00 0.00 0.00 175.10 175.70 2ksm n ILE 121 N 2.88 -0.51 -4.06 2.22 5.41 -0.69 -4.93 119.36 119.68 2ksm n ILE 121 Ca -0.17 -3.82 -0.32 0.00 1.00 0.00 0.00 62.75 59.45 2ksm n ILE 121 Cb 0.53 -1.80 -0.16 0.00 -0.71 0.00 0.00 39.64 37.50 2ksm n ILE 121 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 2ksm s ASP 122 N -0.46 3.38 -0.28 4.38 -4.77 -1.26 -2.91 116.67 114.75 2ksm s ASP 122 Ca 0.32 -0.84 0.02 0.00 -3.30 0.00 0.00 52.55 48.75 2ksm s ASP 122 Cb 0.05 -1.37 0.08 0.00 -1.09 0.00 0.00 42.92 40.59 2ksm s ASP 122 CO -0.18 -0.09 -0.01 -1.10 0.70 0.00 0.00 175.17 174.50 2ksm s GLN 123 N 1.32 1.54 -0.01 2.11 -1.52 -1.11 -5.03 119.66 116.96 2ksm s GLN 123 Ca 0.00 -1.33 0.05 0.00 -1.95 0.00 0.00 55.36 52.14 2ksm s GLN 123 Cb -0.15 -2.73 -0.03 0.00 -0.22 0.00 0.00 33.01 29.88 2ksm s GLN 123 CO -0.10 -0.76 -0.16 0.96 -0.25 0.00 0.00 175.29 174.99 2ksm s ILE 124 N 1.23 2.95 0.07 1.08 -0.00 -1.26 -3.19 121.20 122.08 2ksm s ILE 124 Ca 0.01 -0.90 -0.03 0.00 -0.00 0.00 0.00 60.65 59.73 2ksm s ILE 124 Cb -0.19 -2.19 -0.05 0.00 -0.00 0.00 0.00 42.46 40.04 2ksm s ILE 124 CO -0.09 0.49 0.26 -1.00 -0.00 0.00 0.00 174.94 174.60 2ksm s HIS 125 N -0.81 3.52 0.13 1.37 3.76 -0.91 -4.82 115.29 117.53 2ksm s HIS 125 Ca 0.13 0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 55.27 2ksm s HIS 125 Cb -0.11 -1.88 -0.07 0.00 1.11 0.00 0.00 32.58 31.64 2ksm s HIS 125 CO 0.03 0.56 0.60 0.08 -0.85 0.00 0.00 174.74 175.15 2ksm s VAL 126 N -1.50 4.73 -0.48 -0.90 1.01 -1.26 0.13 120.40 122.13 2ksm s VAL 126 Ca 0.35 1.11 0.05 0.00 0.00 0.00 0.00 61.98 63.48 2ksm s VAL 126 Cb -0.13 -3.84 0.21 0.00 0.00 0.00 0.00 36.38 32.62 2ksm s VAL 126 CO 0.24 0.38 0.83 0.47 0.00 0.00 0.00 175.10 177.02 2ksm n ASP 127 N 1.20 -2.99 0.00 3.32 8.00 0.99 -4.89 116.55 122.17 2ksm n ASP 127 Ca -0.07 -2.69 0.00 0.00 0.71 0.00 0.00 54.79 52.75 2ksm n ASP 127 Cb 0.51 1.59 0.00 0.00 -0.02 0.00 0.00 41.12 43.20 2ksm n ASP 127 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2ksm n PRO 128 N 2.57 0.00 -0.02 -0.24 -0.02 -0.07 -1.71 135.00 135.50 2ksm n PRO 128 Ca 0.15 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.59 2ksm n PRO 128 Cb 0.59 -1.35 -0.02 0.00 -0.02 0.00 0.00 33.50 32.70 2ksm n PRO 128 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2ksm n VAL 129 N -0.63 0.27 -2.03 -1.45 0.31 -1.26 -5.01 118.33 108.52 2ksm n VAL 129 Ca 0.00 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 2ksm n VAL 129 Cb 0.00 -0.86 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 2ksm n VAL 129 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2ksm s VAL 130 N -2.09 3.31 -0.09 2.52 -7.23 -0.70 -4.93 120.40 111.19 2ksm s VAL 130 Ca -0.06 0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 60.52 2ksm s VAL 130 Cb 0.02 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 2ksm s VAL 130 CO 0.10 -0.01 1.52 -0.60 -0.31 0.00 0.00 175.10 175.80 2ksm s ARG 131 N 2.67 4.20 0.31 4.82 6.06 -1.26 -4.61 118.95 131.14 2ksm s ARG 131 Ca 0.70 2.01 0.06 0.00 -2.50 0.00 0.00 55.73 56.01 2ksm s ARG 131 Cb -0.36 -3.90 -0.06 0.00 0.06 0.00 0.00 34.95 30.69 2ksm s ARG 131 CO 0.30 -0.79 -0.03 -1.54 -2.50 0.00 0.00 175.30 170.74 2ksm s SER 132 N 2.84 2.90 0.22 -2.12 1.04 -1.26 0.87 113.70 118.18 2ksm s SER 132 Ca 0.67 -1.25 -0.32 0.00 0.48 0.00 0.00 55.95 55.53 2ksm s SER 132 Cb -0.29 -0.19 -0.13 0.00 0.10 0.00 0.00 66.02 65.50 2ksm s SER 132 CO 0.24 -0.40 1.51 -0.11 0.98 0.00 0.00 173.24 175.47 2ksm n LEU 133 N -0.67 3.36 -4.49 2.42 7.94 -1.26 -4.90 117.00 119.39 2ksm n LEU 133 Ca -0.05 1.12 -0.42 0.00 -1.11 0.00 0.00 56.01 55.55 2ksm n LEU 133 Cb 0.64 -1.46 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 2ksm n LEU 133 CO 0.42 -0.29 0.96 -0.62 -1.11 0.00 0.00 177.39 176.75 2ksm s ASP 134 N 0.56 6.23 0.00 1.96 2.15 -1.26 -4.83 116.67 121.47 2ksm s ASP 134 Ca 0.71 -0.93 0.23 0.00 0.43 0.00 0.00 52.55 53.00 2ksm s ASP 134 Cb -0.62 -2.47 0.82 0.00 -0.30 0.00 0.00 42.92 40.34 2ksm s ASP 134 CO 0.45 -1.55 1.60 2.22 -0.17 0.00 0.00 175.17 177.72 2ksm n PHE 135 N 8.24 0.15 -0.57 -5.34 1.16 -1.26 -4.31 117.46 115.53 2ksm n PHE 135 Ca 0.03 -0.07 0.46 0.00 -1.87 0.00 0.00 57.45 55.99 2ksm n PHE 135 Cb 0.47 0.00 0.76 0.00 -1.61 0.00 0.00 39.48 39.10 2ksm n PHE 135 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 2ksm h SER 136 N 2.43 0.08 -0.45 5.98 0.02 -1.92 1.95 113.55 121.63 2ksm h SER 136 Ca 0.00 0.04 -0.31 0.00 -0.84 0.00 0.00 61.79 60.68 2ksm h SER 136 Cb 0.53 0.04 -0.21 0.00 0.14 0.00 0.00 62.40 62.89 2ksm h SER 136 CO 0.00 -0.06 -0.41 -0.24 -1.14 0.00 0.00 176.83 174.98 2ksm n SER 137 N -4.21 3.59 0.13 3.07 2.88 -1.26 -4.57 113.62 113.24 2ksm n SER 137 Ca 0.40 -3.81 0.08 0.00 -1.33 0.00 0.00 58.87 54.21 2ksm n SER 137 Cb 1.73 -0.52 0.04 0.00 -0.75 0.00 0.00 64.21 64.71 2ksm n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ksm h ALA 138 N 1.53 0.70 0.22 -1.46 0.00 0.28 -3.26 119.26 117.27 2ksm h ALA 138 Ca 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ksm h ALA 138 Cb 1.36 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2ksm h ALA 138 CO 0.52 0.25 -0.32 0.93 0.00 0.00 0.00 179.25 180.62 2ksm h GLU 139 N 0.00 -0.55 -0.94 0.00 4.39 -1.80 2.17 114.58 117.86 2ksm h GLU 139 Ca -0.03 0.04 0.22 0.00 0.34 0.00 0.00 59.36 59.93 2ksm h GLU 139 Cb 1.16 0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 29.81 2ksm h GLU 139 CO 0.02 -0.37 0.48 -1.00 -1.16 0.00 0.00 179.01 176.98 2ksm h PRO 140 N -0.57 0.49 0.14 2.33 0.13 -1.93 0.87 132.00 133.46 2ksm h PRO 140 Ca -0.03 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2ksm h PRO 140 Cb 0.52 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.54 2ksm h PRO 140 CO -0.09 0.32 -0.07 0.28 -0.23 0.00 0.00 178.00 178.21 2ksm h VAL 141 N 0.51 0.00 -1.03 1.56 2.07 -1.29 -2.44 116.25 115.62 2ksm h VAL 141 Ca 0.58 -0.23 0.28 0.00 0.82 0.00 0.00 66.70 68.15 2ksm h VAL 141 Cb 1.08 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.72 2ksm h VAL 141 CO -0.49 0.00 0.62 0.15 0.02 0.00 0.00 177.57 177.87 2ksm h PHE 142 N -0.42 0.90 0.00 1.57 3.57 0.37 1.91 116.94 124.84 2ksm h PHE 142 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2ksm h PHE 142 Cb 0.14 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 2ksm h PHE 142 CO 0.05 -0.01 -0.14 1.79 -2.23 0.00 0.00 178.31 177.78 2ksm h THR 143 N 0.46 1.10 0.00 4.41 1.35 0.71 0.13 112.91 121.07 2ksm h THR 143 Ca 0.67 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 2ksm h THR 143 Cb 1.45 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2ksm h THR 143 CO -0.47 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 174.94 2ksm h ALA 144 N 1.86 1.00 -0.14 6.62 0.00 0.35 -2.73 119.26 126.22 2ksm h ALA 144 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ksm h ALA 144 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ksm h ALA 144 CO 0.02 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.72 2ksm n SER 145 N -2.74 2.55 0.08 0.00 2.88 0.29 -4.63 113.62 112.05 2ksm n SER 145 Ca 0.02 -1.74 -0.12 0.00 -1.33 0.00 0.00 58.87 55.71 2ksm n SER 145 Cb 0.35 -0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.67 2ksm n SER 145 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2ksm h VAL 146 N 2.98 0.62 0.00 2.46 2.07 -0.77 -2.15 116.25 121.47 2ksm h VAL 146 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2ksm h VAL 146 Cb 0.69 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2ksm h VAL 146 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2ksm n PRO 147 N -5.29 0.04 -3.39 1.57 -0.04 -1.26 -3.86 135.00 122.76 2ksm n PRO 147 Ca -0.06 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.20 2ksm n PRO 147 Cb 0.21 -1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 2ksm n PRO 147 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ksm s ILE 148 N -1.08 -0.23 -1.68 0.52 1.01 -0.81 -4.99 121.20 113.95 2ksm s ILE 148 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 59.56 2ksm s ILE 148 Cb 0.00 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.69 2ksm s ILE 148 CO 0.00 -0.67 0.87 -0.81 0.00 0.00 0.00 174.94 174.33 2ksm n PRO 149 N 4.32 1.08 -0.85 2.79 -0.04 -1.25 -3.32 135.00 137.72 2ksm n PRO 149 Ca 0.10 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2ksm n PRO 149 Cb 0.43 -1.18 0.18 0.00 -0.04 0.00 0.00 33.50 32.89 2ksm n PRO 149 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ksm n ASP 150 N -0.29 2.30 -4.88 3.54 8.00 -1.07 -0.91 116.55 123.24 2ksm n ASP 150 Ca 0.01 -3.88 -0.26 0.00 0.71 0.00 0.00 54.79 51.37 2ksm n ASP 150 Cb 0.10 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.66 2ksm n ASP 150 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2ksm s PHE 151 N -3.30 3.33 0.04 1.24 0.40 -0.86 -3.12 117.98 115.72 2ksm s PHE 151 Ca 0.41 0.06 0.06 0.00 -0.60 0.00 0.00 56.93 56.85 2ksm s PHE 151 Cb 0.38 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 42.29 2ksm s PHE 151 CO -0.05 0.52 -0.18 0.20 0.70 0.00 0.00 175.22 176.41 2ksm s GLY 152 N -3.17 0.99 -0.07 4.36 0.00 -0.55 -2.31 107.32 106.57 2ksm s GLY 152 Ca 0.33 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 44.10 2ksm s GLY 152 CO 0.26 -0.92 -0.12 -2.27 0.00 0.00 0.00 173.10 170.05 2ksm s LEU 153 N -1.17 1.63 -0.04 0.66 1.98 -0.79 -3.16 118.68 117.79 2ksm s LEU 153 Ca 0.05 -0.30 0.01 0.00 -2.89 0.00 0.00 54.13 51.00 2ksm s LEU 153 Cb -0.08 -0.84 0.02 0.00 0.66 0.00 0.00 46.19 45.95 2ksm s LEU 153 CO 0.02 0.03 -0.03 -0.54 -1.89 0.00 0.00 176.35 173.93 2ksm s LYS 154 N 0.73 0.70 -0.05 1.98 -0.14 -0.98 -2.16 119.74 119.81 2ksm s LYS 154 Ca -0.13 -0.06 0.06 0.00 -1.36 0.00 0.00 55.97 54.48 2ksm s LYS 154 Cb -0.16 -0.75 -0.01 0.00 -1.68 0.00 0.00 37.83 35.24 2ksm s LYS 154 CO 0.03 -0.09 -0.25 0.08 -0.76 0.00 0.00 175.35 174.36 2ksm s VAL 155 N 0.93 2.04 0.00 3.17 1.01 -1.17 -0.82 120.40 125.56 2ksm s VAL 155 Ca -0.11 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.81 2ksm s VAL 155 Cb -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2ksm s VAL 155 CO -0.00 0.57 0.00 1.21 0.00 0.00 0.00 175.10 176.87 2ksm n GLU 156 N 2.91 3.95 0.00 2.72 2.13 0.19 -2.37 120.64 130.18 2ksm n GLU 156 Ca -0.17 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.70 2ksm n GLU 156 Cb 0.52 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.18 2ksm n GLU 156 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ksm n ARG 157 N 0.00 2.80 0.00 5.31 1.74 -1.25 -4.17 116.66 121.08 2ksm n ARG 157 Ca 0.00 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 2ksm n ARG 157 Cb 0.00 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 2ksm n ARG 157 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2ksm n ASP 158 N -0.93 0.38 -4.24 0.55 5.68 -1.26 -3.51 116.55 113.21 2ksm n ASP 158 Ca 0.03 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.18 2ksm n ASP 158 Cb 0.20 0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 40.13 2ksm n ASP 158 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2ksm s THR 159 N -0.80 0.24 -0.06 2.12 -1.32 -1.26 -4.22 115.64 110.34 2ksm s THR 159 Ca 0.00 -1.99 0.01 0.00 -1.21 0.00 0.00 61.69 58.50 2ksm s THR 159 Cb 0.00 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.49 2ksm s THR 159 CO 0.00 -0.04 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.61 2ksm s VAL 160 N -3.98 0.75 0.03 5.08 1.01 0.42 0.55 120.40 124.26 2ksm s VAL 160 Ca 0.37 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.18 2ksm s VAL 160 Cb 0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2ksm s VAL 160 CO 0.12 0.28 -0.10 -0.89 0.00 0.00 0.00 175.10 174.51 2ksm s THR 161 N 1.00 3.41 -0.12 3.92 2.01 0.00 -1.83 115.64 124.03 2ksm s THR 161 Ca -0.09 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 60.98 2ksm s THR 161 Cb -0.14 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.89 2ksm s THR 161 CO -0.00 0.34 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.89 2ksm s LEU 162 N -1.54 1.78 -0.12 4.42 0.20 0.08 -2.32 118.68 121.17 2ksm s LEU 162 Ca 0.17 -0.46 -0.06 0.00 0.69 0.00 0.00 54.13 54.47 2ksm s LEU 162 Cb -0.11 -1.16 0.05 0.00 -0.43 0.00 0.00 46.19 44.55 2ksm s LEU 162 CO 0.08 0.02 0.27 0.42 -0.29 0.00 0.00 176.35 176.85 2ksm s THR 163 N 1.01 -0.10 -0.08 3.68 -4.23 -1.19 -2.12 115.64 112.62 2ksm s THR 163 Ca -0.05 0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 60.37 2ksm s THR 163 Cb -0.15 -0.42 0.06 0.00 1.34 0.00 0.00 72.50 73.32 2ksm s THR 163 CO -0.03 0.07 0.57 -0.83 -0.54 0.00 0.00 174.62 173.86 2ksm s GLY 164 N 1.45 -0.44 -0.29 3.99 0.00 -1.26 -1.49 107.32 109.29 2ksm s GLY 164 Ca -0.08 1.14 -0.29 0.00 0.00 0.00 0.00 44.72 45.49 2ksm s GLY 164 CO -0.09 0.84 1.56 -1.59 0.00 0.00 0.00 173.10 173.82 2ksm s THR 165 N -0.92 3.77 -0.57 0.90 2.01 -1.18 -4.20 115.64 115.45 2ksm s THR 165 Ca -0.09 0.84 0.04 0.00 0.31 0.00 0.00 61.69 62.79 2ksm s THR 165 Cb -0.02 -3.86 0.14 0.00 0.01 0.00 0.00 72.50 68.77 2ksm s THR 165 CO 0.07 -0.43 0.33 0.00 -0.69 0.00 0.00 174.62 173.90 2ksm s ALA 166 N 5.38 3.46 -1.13 7.40 0.00 -1.26 -4.86 121.76 130.74 2ksm s ALA 166 Ca 0.68 -3.42 0.00 0.00 0.00 0.00 0.00 51.96 49.22 2ksm s ALA 166 Cb -0.21 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.71 2ksm s ALA 166 CO 0.29 -2.04 0.43 -2.30 0.00 0.00 0.00 175.76 172.14 2ksm n PRO 167 N 2.84 0.00 0.00 0.00 -0.02 -1.26 -4.14 135.00 132.42 2ksm n PRO 167 Ca 0.09 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2ksm n PRO 167 Cb 0.33 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2ksm n PRO 167 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ksm n SER 168 N -0.93 0.00 0.00 2.55 7.64 -1.26 -5.12 113.62 116.50 2ksm n SER 168 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2ksm n SER 168 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2ksm n SER 168 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ksm n SER 169 N 0.00 0.00 -0.07 6.43 2.88 -1.26 -4.94 113.62 116.67 2ksm n SER 169 Ca 0.00 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.78 2ksm n SER 169 Cb 0.00 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.04 2ksm n SER 169 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2ksm h GLU 170 N 0.00 0.00 -0.64 -1.46 4.11 -2.01 0.15 114.58 114.73 2ksm h GLU 170 Ca 0.00 0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.62 2ksm h GLU 170 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2ksm h GLU 170 CO 0.00 0.00 0.81 0.45 0.07 0.00 0.00 179.01 180.34 2ksm h HIS 171 N 0.00 0.00 0.00 2.06 3.86 -1.97 1.72 115.15 120.82 2ksm h HIS 171 Ca 0.35 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.44 2ksm h HIS 171 Cb 2.08 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.53 2ksm h HIS 171 CO 0.00 0.00 -0.73 1.57 0.86 0.00 0.00 177.93 179.63 2ksm h LYS 172 N 0.00 0.00 -0.08 2.45 5.09 -1.11 -3.37 116.57 119.55 2ksm h LYS 172 Ca 0.31 0.00 0.02 0.00 0.09 0.00 0.00 60.65 61.07 2ksm h LYS 172 Cb 1.92 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 34.21 2ksm h LYS 172 CO -0.00 0.45 -0.43 0.22 -2.09 0.00 0.00 179.45 177.60 2ksm h ASP 173 N 0.00 -1.35 -1.02 7.07 1.82 0.24 -0.42 116.42 122.77 2ksm h ASP 173 Ca -0.04 0.16 0.25 0.00 -0.39 0.00 0.00 57.03 57.01 2ksm h ASP 173 Cb 1.43 0.52 -0.12 0.00 0.68 0.00 0.00 39.33 41.85 2ksm h ASP 173 CO 0.06 -0.39 0.62 0.00 -1.61 0.00 0.00 179.24 177.92 2ksm h ALA 174 N -0.57 1.90 -0.32 -0.78 0.00 -1.72 0.56 119.26 118.33 2ksm h ALA 174 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ksm h ALA 174 Cb 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2ksm h ALA 174 CO -0.33 -0.36 0.16 0.28 0.00 0.00 0.00 179.25 179.01 2ksm h VAL 175 N 0.54 1.14 -0.26 0.00 2.07 -1.30 -1.60 116.25 116.84 2ksm h VAL 175 Ca 0.63 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 2ksm h VAL 175 Cb 1.28 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2ksm h VAL 175 CO -0.42 0.15 0.05 0.50 0.02 0.00 0.00 177.57 177.87 2ksm h LYS 176 N 0.38 0.43 -0.85 1.57 3.64 0.29 -2.24 116.57 119.79 2ksm h LYS 176 Ca 0.11 -0.11 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2ksm h LYS 176 Cb 0.09 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 2ksm h LYS 176 CO -0.02 0.54 0.51 0.00 -2.27 0.00 0.00 179.45 178.21 2ksm h ARG 177 N 0.25 0.85 -0.47 1.90 2.47 -1.06 0.72 114.38 119.03 2ksm h ARG 177 Ca 0.08 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2ksm h ARG 177 Cb 0.31 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2ksm h ARG 177 CO 0.00 0.56 0.19 0.00 0.56 0.00 0.00 179.97 181.29 2ksm h ALA 178 N 1.44 0.61 -0.07 0.04 0.00 -1.11 -2.60 119.26 117.58 2ksm h ALA 178 Ca 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2ksm h ALA 178 Cb 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ksm h ALA 178 CO -0.22 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2ksm h ALA 179 N 1.04 0.10 -0.66 0.00 0.00 -0.74 -2.57 119.26 116.43 2ksm h ALA 179 Ca 0.16 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.04 2ksm h ALA 179 Cb 0.19 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.84 2ksm h ALA 179 CO -0.01 -0.23 -0.02 1.79 0.00 0.00 0.00 179.25 180.78 2ksm h THR 180 N -0.15 0.43 -0.40 0.00 1.35 -0.82 0.43 112.91 113.75 2ksm h THR 180 Ca 0.02 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 65.82 2ksm h THR 180 Cb 0.33 0.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 2ksm h THR 180 CO 0.00 0.02 0.12 -1.28 -0.25 0.00 0.00 175.52 174.13 2ksm h SER 181 N 0.10 0.53 0.48 5.36 0.87 -1.39 -2.05 113.55 117.45 2ksm h SER 181 Ca 0.35 -0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.60 2ksm h SER 181 Cb 0.58 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2ksm h SER 181 CO -0.59 0.51 -1.04 0.74 -0.53 0.00 0.00 176.83 175.93 2ksm h THR 182 N 0.57 1.45 -2.43 2.23 2.02 -0.04 -3.40 112.91 113.32 2ksm h THR 182 Ca 0.14 -2.69 -0.59 0.00 0.77 0.00 0.00 66.41 64.04 2ksm h THR 182 Cb 0.18 2.61 -0.39 0.00 -1.74 0.00 0.00 68.15 68.81 2ksm h THR 182 CO -0.01 0.79 -0.90 0.79 0.37 0.00 0.00 175.52 176.57 2ksm n TRP 183 N -3.66 0.27 0.08 3.16 8.01 0.11 -4.96 117.44 120.47 2ksm n TRP 183 Ca -0.07 -3.60 -0.15 0.00 -1.31 0.00 0.00 57.50 52.37 2ksm n TRP 183 Cb 0.90 -0.07 -0.14 0.00 -2.01 0.00 0.00 31.31 29.99 2ksm n TRP 183 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2ksm h PRO 184 N 5.20 0.24 -0.00 -0.99 0.13 -1.60 -3.27 132.00 131.71 2ksm h PRO 184 Ca 0.21 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2ksm h PRO 184 Cb 0.86 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2ksm h PRO 184 CO 0.48 1.15 -0.00 -0.25 -0.23 0.00 0.00 178.00 179.15 2ksm n ASP 185 N -3.48 0.03 -4.44 1.44 9.92 -1.26 -4.74 116.55 114.01 2ksm n ASP 185 Ca -0.11 -0.93 -0.32 0.00 -0.53 0.00 0.00 54.79 52.89 2ksm n ASP 185 Cb 1.03 -0.02 -0.14 0.00 -0.64 0.00 0.00 41.12 41.35 2ksm n ASP 185 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2ksm s MET 186 N -2.05 2.46 0.06 -1.24 -1.94 -1.24 -5.09 119.30 110.27 2ksm s MET 186 Ca 0.46 -0.74 -0.31 0.00 -1.71 0.00 0.00 55.69 53.40 2ksm s MET 186 Cb 0.22 -2.33 -0.07 0.00 2.01 0.00 0.00 34.83 34.66 2ksm s MET 186 CO 0.38 0.60 1.55 0.15 -0.01 0.00 0.00 175.02 177.68 2ksm s LYS 187 N -0.67 4.23 -0.20 2.03 -0.14 -1.26 -4.87 119.74 118.87 2ksm s LYS 187 Ca 0.10 2.19 -0.02 0.00 -1.36 0.00 0.00 55.97 56.89 2ksm s LYS 187 Cb -0.11 -3.54 -0.00 0.00 -1.68 0.00 0.00 37.83 32.50 2ksm s LYS 187 CO 0.00 -0.65 -0.09 0.42 -0.76 0.00 0.00 175.35 174.27 2ksm s ILE 188 N 2.36 2.98 -0.32 2.17 1.01 -1.26 -0.43 121.20 127.72 2ksm s ILE 188 Ca 0.70 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.75 2ksm s ILE 188 Cb -0.37 -2.32 0.09 0.00 0.01 0.00 0.00 42.46 39.86 2ksm s ILE 188 CO 0.30 0.47 0.01 0.54 0.00 0.00 0.00 174.94 176.26 2ksm s VAL 189 N 1.30 2.31 -0.59 2.92 0.11 -0.76 -5.02 120.40 120.67 2ksm s VAL 189 Ca 0.04 -2.12 -0.10 0.00 -2.93 0.00 0.00 61.98 56.86 2ksm s VAL 189 Cb -0.14 -2.60 0.15 0.00 -1.53 0.00 0.00 36.38 32.26 2ksm s VAL 189 CO -0.05 -0.44 0.48 0.20 -3.33 0.00 0.00 175.10 171.97 2ksm s ASN 190 N 1.00 5.96 -0.68 3.54 0.01 -1.26 -0.75 114.94 122.76 2ksm s ASN 190 Ca 0.05 -2.21 -0.02 0.00 -0.71 0.00 0.00 52.86 49.96 2ksm s ASN 190 Cb -0.19 -2.07 0.17 0.00 0.41 0.00 0.00 41.25 39.57 2ksm s ASN 190 CO -0.07 -0.65 0.50 0.20 -1.51 0.00 0.00 177.10 175.58 2ksm s ASN 191 N 2.41 5.33 0.44 -1.22 0.01 -0.90 -4.98 114.94 116.04 2ksm s ASN 191 Ca 0.10 -3.05 -0.23 0.00 -0.71 0.00 0.00 52.86 48.96 2ksm s ASN 191 Cb -0.22 -1.86 -0.08 0.00 0.41 0.00 0.00 41.25 39.50 2ksm s ASN 191 CO -0.02 -0.32 1.12 -0.63 -1.51 0.00 0.00 177.10 175.73 2ksm s ILE 192 N -0.36 3.35 -0.12 0.60 -1.09 -1.26 -4.73 121.20 117.60 2ksm s ILE 192 Ca 0.19 1.02 -0.04 0.00 -2.23 0.00 0.00 60.65 59.59 2ksm s ILE 192 Cb -0.18 -3.52 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 2ksm s ILE 192 CO -0.05 -0.01 0.07 -1.61 -1.23 0.00 0.00 174.94 172.10 2ksm s GLU 193 N -2.64 0.11 -0.23 2.79 0.41 -1.26 -5.04 118.70 112.84 2ksm s GLU 193 Ca 0.61 0.06 -0.29 0.00 -0.41 0.00 0.00 54.97 54.95 2ksm s GLU 193 Cb -0.26 -1.34 -0.01 0.00 -1.78 0.00 0.00 34.13 30.74 2ksm s GLU 193 CO 0.32 -0.52 1.39 0.14 -0.49 0.00 0.00 175.26 176.09 2ksm s VAL 194 N 2.11 4.03 -0.67 2.63 -7.23 -1.26 -4.52 120.40 115.49 2ksm s VAL 194 Ca 0.03 1.20 -0.26 0.00 -1.81 0.00 0.00 61.98 61.13 2ksm s VAL 194 Cb -0.14 -3.96 -0.01 0.00 0.56 0.00 0.00 36.38 32.83 2ksm s VAL 194 CO -0.07 -0.31 1.69 0.42 -0.31 0.00 0.00 175.10 176.52 2ksm s THR 195 N 4.32 3.48 0.00 5.32 -4.23 -1.26 -4.34 115.64 118.92 2ksm s THR 195 Ca 0.61 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 2ksm s THR 195 Cb -0.21 -4.25 0.00 0.00 1.34 0.00 0.00 72.50 69.38 2ksm s THR 195 CO 0.23 -1.21 0.00 0.61 -0.54 0.00 0.00 174.62 173.71 2ksm n GLY 196 N 5.70 -1.91 0.35 3.99 0.00 -1.26 -5.01 105.19 107.06 2ksm n GLY 196 Ca 0.17 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 2ksm n GLY 196 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ksm h GLN 197 N 0.00 -0.78 -7.33 1.61 7.50 -2.03 -3.43 115.11 110.66 2ksm h GLN 197 Ca 0.00 0.05 -0.51 0.00 0.50 0.00 0.00 58.65 58.69 2ksm h GLN 197 Cb 0.00 0.18 0.12 0.00 0.05 0.00 0.00 27.48 27.83 2ksm h GLN 197 CO 0.00 -0.52 0.33 0.00 -1.50 0.00 0.00 178.83 177.14 2ksm s ALA 198 N -5.02 2.35 0.76 3.87 0.00 -1.26 -5.03 121.76 117.43 2ksm s ALA 198 Ca -0.13 0.17 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 2ksm s ALA 198 Cb 0.02 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.96 2ksm s ALA 198 CO 0.41 -1.63 1.08 -1.25 0.00 0.00 0.00 175.76 174.37 2ksm s PRO 199 N -4.96 2.36 -0.17 0.00 0.04 -1.26 -4.91 135.00 126.11 2ksm s PRO 199 Ca 0.60 0.94 -0.42 0.00 0.04 0.00 0.00 61.00 62.16 2ksm s PRO 199 Cb -0.16 -1.93 -0.19 0.00 0.04 0.00 0.00 34.50 32.26 2ksm s PRO 199 CO 0.56 -1.50 1.33 -2.30 0.04 0.00 0.00 177.00 175.13 2ksm n PRO 200 N -3.40 0.25 0.00 0.56 -0.02 -1.26 -4.94 135.00 126.19 2ksm n PRO 200 Ca 0.08 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2ksm n PRO 200 Cb 0.54 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2ksm n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ksm n GLY 201 N 2.64 -1.83 3.45 -1.23 0.00 -1.26 -4.99 105.19 101.97 2ksm n GLY 201 Ca 0.24 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 2ksm n GLY 201 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ksm n PRO 202 N -1.06 -0.14 0.00 1.61 -0.02 -1.26 -5.27 135.00 128.85 2ksm n PRO 202 Ca 0.00 0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.57 2ksm n PRO 202 Cb 0.00 -1.91 0.48 0.00 -0.02 0.00 0.00 33.50 32.05 2ksm n PRO 202 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13