#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksm s ALA 74 N 0.00 -1.02 -0.02 4.61 0.00 -1.26 -5.17 121.76 118.90 2ksm s ALA 74 Ca 0.00 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.29 2ksm s ALA 74 Cb 0.00 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.29 2ksm s ALA 74 CO 0.00 -0.33 0.35 -1.12 0.00 0.00 0.00 175.76 174.66 2ksm s SER 75 N -1.50 -0.25 0.00 0.00 0.01 -1.26 -5.17 113.70 105.53 2ksm s SER 75 Ca -0.11 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2ksm s SER 75 Cb -0.03 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2ksm s SER 75 CO 0.03 -0.47 0.00 0.00 0.41 0.00 0.00 173.24 173.22 2ksm n ALA 76 N 1.22 0.00 -1.70 1.44 0.00 -1.26 -5.00 120.51 115.21 2ksm n ALA 76 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 2ksm n ALA 76 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.02 2ksm n ALA 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ksm n LEU 77 N 0.00 4.04 -4.10 0.00 4.77 -1.26 -5.00 117.00 115.44 2ksm n LEU 77 Ca 0.00 1.11 -0.13 0.00 -0.03 0.00 0.00 56.01 56.96 2ksm n LEU 77 Cb 0.00 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 39.53 2ksm n LEU 77 CO 0.00 -0.65 0.06 -0.44 -1.33 0.00 0.00 177.39 175.03 2ksm s SER 78 N -0.53 0.56 0.18 -1.43 0.01 -1.26 -5.15 113.70 106.07 2ksm s SER 78 Ca 0.61 -1.34 -0.20 0.00 1.31 0.00 0.00 55.95 56.33 2ksm s SER 78 Cb -0.51 0.58 -0.08 0.00 0.21 0.00 0.00 66.02 66.22 2ksm s SER 78 CO 0.58 -1.15 0.69 -0.76 0.41 0.00 0.00 173.24 173.01 2ksm s LEU 79 N -3.17 4.41 -0.41 2.44 1.02 -1.26 -5.04 118.68 116.67 2ksm s LEU 79 Ca 0.31 1.39 0.05 0.00 0.02 0.00 0.00 54.13 55.90 2ksm s LEU 79 Cb 0.01 -3.40 0.18 0.00 0.02 0.00 0.00 46.19 43.00 2ksm s LEU 79 CO 0.16 0.10 0.72 -0.44 0.02 0.00 0.00 176.35 176.92 2ksm s SER 80 N -1.50 -1.29 0.25 2.29 0.01 -1.26 -4.87 113.70 107.32 2ksm s SER 80 Ca 0.39 -0.79 0.07 0.00 1.31 0.00 0.00 55.95 56.93 2ksm s SER 80 Cb -0.18 1.66 -0.03 0.00 0.21 0.00 0.00 66.02 67.68 2ksm s SER 80 CO 0.21 -0.13 0.22 -0.76 0.41 0.00 0.00 173.24 173.20 2ksm s LEU 81 N 1.72 3.88 -0.19 2.44 1.43 -1.26 -4.73 118.68 121.98 2ksm s LEU 81 Ca 0.18 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2ksm s LEU 81 Cb -0.02 -2.42 0.09 0.00 0.03 0.00 0.00 46.19 43.87 2ksm s LEU 81 CO -0.08 -0.05 0.26 -0.22 0.23 0.00 0.00 176.35 176.49 2ksm s LEU 82 N -3.87 -0.26 -0.06 1.79 2.96 -1.25 -3.64 118.68 114.35 2ksm s LEU 82 Ca 0.33 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 2ksm s LEU 82 Cb -0.08 0.61 0.01 0.00 0.50 0.00 0.00 46.19 47.23 2ksm s LEU 82 CO 0.26 -0.29 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.30 2ksm s SER 83 N 2.39 1.95 -0.06 3.68 0.15 -0.97 -2.47 113.70 118.37 2ksm s SER 83 Ca 0.06 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.40 2ksm s SER 83 Cb -0.14 -0.78 0.02 0.00 -1.71 0.00 0.00 66.02 63.40 2ksm s SER 83 CO -0.12 0.08 -0.09 -0.63 1.20 0.00 0.00 173.24 173.69 2ksm s ILE 84 N 0.43 0.90 -0.06 6.45 1.01 -0.84 -1.88 121.20 127.20 2ksm s ILE 84 Ca -0.11 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.27 2ksm s ILE 84 Cb -0.14 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.46 2ksm s ILE 84 CO 0.04 0.31 -0.19 -0.55 0.00 0.00 0.00 174.94 174.54 2ksm s SER 85 N 0.93 2.47 -0.16 3.58 0.15 0.21 -2.42 113.70 118.45 2ksm s SER 85 Ca -0.10 -0.42 -0.04 0.00 0.70 0.00 0.00 55.95 56.09 2ksm s SER 85 Cb -0.15 -0.84 0.06 0.00 -1.71 0.00 0.00 66.02 63.38 2ksm s SER 85 CO 0.01 0.15 0.06 -0.13 1.20 0.00 0.00 173.24 174.54 2ksm s ARG 86 N 0.15 0.28 -0.12 5.44 0.52 -1.08 -1.04 118.95 123.11 2ksm s ARG 86 Ca -0.08 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2ksm s ARG 86 Cb -0.14 -1.77 -0.08 0.00 0.52 0.00 0.00 34.95 33.48 2ksm s ARG 86 CO 0.04 -0.61 -0.11 0.43 0.02 0.00 0.00 175.30 175.07 2ksm n SER 87 N 5.20 2.92 0.00 0.23 7.64 -0.21 -2.12 113.62 127.28 2ksm n SER 87 Ca -0.07 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2ksm n SER 87 Cb 0.49 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2ksm n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ksm n GLY 88 N 2.88 4.96 4.57 0.23 0.00 -1.15 -4.17 105.19 112.51 2ksm n GLY 88 Ca -0.21 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.01 1.61 3.02 -1.26 -4.78 115.26 109.84 2ksm n ASN 89 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 2ksm n ASN 89 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 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 0.00 0.95 -0.02 3.41 -4.23 -1.26 0.99 115.64 115.49 2ksm s THR 90 Ca 0.00 -0.41 0.08 0.00 -1.18 0.00 0.00 61.69 60.18 2ksm s THR 90 Cb 0.00 -0.86 -0.02 0.00 1.34 0.00 0.00 72.50 72.96 2ksm s THR 90 CO 0.00 0.30 -0.26 0.68 -0.54 0.00 0.00 174.62 174.80 2ksm s VAL 91 N 0.43 2.04 -0.22 2.29 -7.23 -1.16 -3.86 120.40 112.70 2ksm s VAL 91 Ca -0.08 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2ksm s VAL 91 Cb -0.12 -1.70 0.03 0.00 0.56 0.00 0.00 36.38 35.16 2ksm s VAL 91 CO 0.02 0.56 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.33 2ksm s THR 92 N -0.62 2.21 -0.07 5.32 2.01 -0.20 -2.16 115.64 122.13 2ksm s THR 92 Ca 0.10 -1.18 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 2ksm s THR 92 Cb -0.10 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.36 2ksm s THR 92 CO -0.01 0.31 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.47 2ksm s LEU 93 N 1.23 0.63 0.12 4.42 1.02 -1.17 0.64 118.68 125.57 2ksm s LEU 93 Ca -0.00 -0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.09 2ksm s LEU 93 Cb -0.16 -0.45 -0.04 0.00 0.02 0.00 0.00 46.19 45.56 2ksm s LEU 93 CO -0.09 -0.19 -0.10 -0.63 0.02 0.00 0.00 176.35 175.37 2ksm s ILE 94 N 1.92 1.03 -5.00 -0.59 1.01 -0.79 -1.91 121.20 116.87 2ksm s ILE 94 Ca 0.04 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 58.77 2ksm s ILE 94 Cb -0.12 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.66 2ksm s ILE 94 CO -0.05 -0.72 0.00 0.61 0.00 0.00 0.00 174.94 174.78 2ksm n GLY 95 N 0.03 0.61 2.97 6.18 0.00 -1.23 -2.29 105.19 111.46 2ksm n GLY 95 Ca -0.12 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 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 0.97 0.20 1.61 1.11 -1.24 -2.60 116.67 112.72 2ksm s ASP 96 Ca 0.00 -0.15 0.08 0.00 0.18 0.00 0.00 52.55 52.66 2ksm s ASP 96 Cb 0.00 -0.25 -0.04 0.00 1.07 0.00 0.00 42.92 43.70 2ksm s ASP 96 CO 0.00 0.05 0.00 -0.36 1.18 0.00 0.00 175.17 176.04 2ksm s PHE 97 N 0.19 2.81 0.03 4.23 0.40 0.11 -4.89 117.98 120.85 2ksm s PHE 97 Ca -0.02 -0.16 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 2ksm s PHE 97 Cb -0.07 -1.33 -0.25 0.00 0.51 0.00 0.00 43.02 41.88 2ksm s PHE 97 CO 0.00 0.54 1.11 -1.00 0.70 0.00 0.00 175.22 176.58 2ksm h PRO 98 N 2.46 0.52 -5.00 0.24 0.13 -1.83 0.27 132.00 128.77 2ksm h PRO 98 Ca -0.46 -0.59 -0.56 0.00 -0.87 0.00 0.00 66.00 63.52 2ksm h PRO 98 Cb 1.22 0.17 -0.13 0.00 0.13 0.00 0.00 31.00 32.39 2ksm h PRO 98 CO 0.58 1.21 -0.50 0.34 -0.23 0.00 0.00 178.00 179.41 2ksm s ASP 99 N -7.01 2.67 -0.16 1.44 2.15 -1.26 -2.81 116.67 111.70 2ksm s ASP 99 Ca -0.12 -1.73 0.03 0.00 0.43 0.00 0.00 52.55 51.16 2ksm s ASP 99 Cb 0.05 0.58 -0.23 0.00 -0.30 0.00 0.00 42.92 43.02 2ksm s ASP 99 CO 0.87 -1.00 0.21 -1.84 -0.17 0.00 0.00 175.17 173.24 2ksm n GLU 100 N -0.89 0.70 0.20 4.34 0.28 -1.26 -4.17 120.64 119.83 2ksm n GLU 100 Ca -0.04 0.20 0.07 0.00 -0.16 0.00 0.00 57.16 57.23 2ksm n GLU 100 Cb 0.64 -1.65 0.57 0.00 1.43 0.00 0.00 31.44 32.44 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 0.36 1.89 -1.16 -1.84 0.00 -2.02 -1.70 119.26 114.79 2ksm h ALA 101 Ca -0.46 -0.03 0.34 0.00 0.00 0.00 0.00 54.91 54.75 2ksm h ALA 101 Cb 2.02 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 2ksm h ALA 101 CO 0.03 0.09 0.86 0.00 0.00 0.00 0.00 179.25 180.23 2ksm h ALA 102 N 1.92 3.08 -0.54 0.00 0.00 -2.00 0.94 119.26 122.66 2ksm h ALA 102 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2ksm h ALA 102 Cb 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2ksm h ALA 102 CO -0.00 -1.46 0.03 1.57 0.00 0.00 0.00 179.25 179.39 2ksm h LYS 103 N 0.00 0.91 -0.53 0.00 2.10 -1.56 -3.04 116.57 114.46 2ksm h LYS 103 Ca 0.55 -0.25 0.08 0.00 -2.00 0.00 0.00 60.65 59.03 2ksm h LYS 103 Cb 2.26 -0.10 -0.07 0.00 -0.90 0.00 0.00 32.23 33.42 2ksm h LYS 103 CO -0.01 0.89 0.16 0.00 -2.00 0.00 0.00 179.45 178.49 2ksm h ALA 104 N 1.17 0.64 -0.57 0.07 0.00 0.77 0.98 119.26 122.33 2ksm h ALA 104 Ca 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2ksm h ALA 104 Cb 0.47 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2ksm h ALA 104 CO 0.02 -0.24 0.31 0.00 0.00 0.00 0.00 179.25 179.33 2ksm h ALA 105 N 1.38 1.48 0.19 0.00 0.00 -1.56 -1.72 119.26 119.04 2ksm h ALA 105 Ca 0.26 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 2ksm h ALA 105 Cb 0.32 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.91 2ksm h ALA 105 CO -0.29 0.43 -1.12 1.25 0.00 0.00 0.00 179.25 179.52 2ksm h LEU 106 N 0.79 0.64 -0.51 0.00 6.46 -1.26 -3.33 115.31 118.10 2ksm h LEU 106 Ca 0.20 -0.94 0.10 0.00 -0.12 0.00 0.00 57.88 57.13 2ksm h LEU 106 Cb 0.02 -0.21 -0.10 0.00 -0.73 0.00 0.00 40.66 39.64 2ksm h LEU 106 CO -0.03 1.54 -0.14 0.24 -0.62 0.00 0.00 178.44 179.43 2ksm h MET 107 N -0.14 -0.01 -0.57 1.25 2.86 0.13 0.91 114.93 119.35 2ksm h MET 107 Ca -0.20 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.61 2ksm h MET 107 Cb 1.88 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.52 2ksm h MET 107 CO 0.21 -0.01 0.80 1.15 1.06 0.00 0.00 176.91 180.12 2ksm h THR 108 N -0.01 0.14 0.07 2.22 2.02 -1.42 1.70 112.91 117.62 2ksm h THR 108 Ca 0.25 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.15 2ksm h THR 108 Cb 0.39 0.33 0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2ksm h THR 108 CO -0.53 0.00 -1.14 0.00 0.37 0.00 0.00 175.52 174.22 2ksm h ALA 109 N 0.94 0.12 -0.88 6.16 0.00 0.71 -3.25 119.26 123.06 2ksm h ALA 109 Ca 0.27 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2ksm h ALA 109 Cb 1.86 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 2ksm h ALA 109 CO -0.00 0.75 0.58 -0.07 0.00 0.00 0.00 179.25 180.51 2ksm h LEU 110 N 0.26 1.00 -1.34 0.00 4.07 0.28 -1.71 115.31 117.88 2ksm h LEU 110 Ca -0.15 -0.02 0.29 0.00 0.08 0.00 0.00 57.88 58.08 2ksm h LEU 110 Cb 1.80 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 43.25 2ksm h LEU 110 CO 0.21 0.72 1.07 0.78 -1.08 0.00 0.00 178.44 180.15 2ksm h ASN 111 N 1.18 0.00 0.76 -0.43 2.35 -1.45 2.08 115.58 120.07 2ksm h ASN 111 Ca 0.32 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.82 2ksm h ASN 111 Cb -0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2ksm h ASN 111 CO -0.07 0.00 -1.17 1.23 -1.65 0.00 0.00 177.43 175.76 2ksm h GLY 112 N 0.00 0.20 0.67 2.83 0.00 -1.48 -3.31 103.07 101.98 2ksm h GLY 112 Ca 0.47 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 2ksm h GLY 112 CO -0.00 0.44 -1.51 -0.10 0.00 0.00 0.00 176.54 175.37 2ksm n LEU 113 N -3.46 0.58 -4.33 3.11 7.94 0.63 -4.91 117.00 116.56 2ksm n LEU 113 Ca -0.06 0.24 -0.54 0.00 -1.11 0.00 0.00 56.01 54.54 2ksm n LEU 113 Cb 1.00 0.05 -0.13 0.00 0.53 0.00 0.00 43.42 44.87 2ksm n LEU 113 CO 0.51 0.04 1.87 -0.11 -1.11 0.00 0.00 177.39 178.59 2ksm n LEU 114 N -2.67 0.69 -4.61 -1.96 7.94 0.31 -4.89 117.00 111.81 2ksm n LEU 114 Ca -0.08 0.53 -0.24 0.00 -1.11 0.00 0.00 56.01 55.11 2ksm n LEU 114 Cb 0.72 -0.92 -0.09 0.00 0.53 0.00 0.00 43.42 43.66 2ksm n LEU 114 CO 0.43 -0.76 -0.33 0.00 -1.11 0.00 0.00 177.39 175.62 2ksm s ALA 115 N 6.88 3.13 -0.22 1.96 0.00 -1.26 -5.01 121.76 127.25 2ksm s ALA 115 Ca 1.24 -1.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 2ksm s ALA 115 Cb -1.40 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 2ksm s ALA 115 CO 0.61 0.12 1.48 -1.25 0.00 0.00 0.00 175.76 176.72 2ksm s PRO 116 N -3.68 3.91 0.00 0.00 0.04 -1.26 -2.43 135.00 131.58 2ksm s PRO 116 Ca 0.34 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2ksm s PRO 116 Cb -0.01 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2ksm s PRO 116 CO 0.19 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2ksm n GLY 117 N 4.39 0.75 3.72 0.56 0.00 -1.26 -5.04 105.19 108.31 2ksm n GLY 117 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.34 4.18 0.03 1.61 0.11 -1.02 -4.99 120.40 117.98 2ksm s VAL 118 Ca 0.00 1.60 -0.00 0.00 -2.93 0.00 0.00 61.98 60.65 2ksm s VAL 118 Cb 0.00 -4.03 -0.04 0.00 -1.53 0.00 0.00 36.38 30.78 2ksm s VAL 118 CO 0.00 0.15 0.15 0.20 -3.33 0.00 0.00 175.10 172.26 2ksm s ASN 119 N 0.87 6.04 -0.03 3.54 -0.87 0.28 -4.92 114.94 119.85 2ksm s ASN 119 Ca 0.56 0.21 0.05 0.00 -1.57 0.00 0.00 52.86 52.11 2ksm s ASN 119 Cb -0.28 -1.80 -0.01 0.00 -0.02 0.00 0.00 41.25 39.14 2ksm s ASN 119 CO 0.30 0.22 -0.17 -0.69 -2.57 0.00 0.00 177.10 174.19 2ksm s VAL 120 N -1.35 1.41 -0.50 1.60 1.01 -1.26 -3.00 120.40 118.31 2ksm s VAL 120 Ca 0.28 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2ksm s VAL 120 Cb -0.12 -1.20 0.18 0.00 0.00 0.00 0.00 36.38 35.24 2ksm s VAL 120 CO 0.20 0.41 0.43 -0.38 0.00 0.00 0.00 175.10 175.76 2ksm n ILE 121 N 2.99 -0.22 -3.95 2.22 -0.00 -0.92 -4.97 119.36 114.52 2ksm n ILE 121 Ca -0.17 -3.97 -0.35 0.00 -0.00 0.00 0.00 62.75 58.26 2ksm n ILE 121 Cb 0.53 -1.85 -0.14 0.00 -0.00 0.00 0.00 39.64 38.18 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 -0.64 4.14 -0.28 4.38 -4.77 -1.26 -3.06 116.67 115.18 2ksm s ASP 122 Ca 0.32 -0.55 0.02 0.00 -3.30 0.00 0.00 52.55 49.03 2ksm s ASP 122 Cb 0.04 -1.68 0.08 0.00 -1.09 0.00 0.00 42.92 40.27 2ksm s ASP 122 CO -0.17 -0.05 0.01 -1.10 0.70 0.00 0.00 175.17 174.56 2ksm s GLN 123 N 1.42 1.43 0.01 2.11 -1.52 -0.80 -5.00 119.66 117.29 2ksm s GLN 123 Ca 0.04 -1.29 0.07 0.00 -1.95 0.00 0.00 55.36 52.23 2ksm s GLN 123 Cb -0.15 -2.66 -0.02 0.00 -0.22 0.00 0.00 33.01 29.96 2ksm s GLN 123 CO -0.05 -0.78 -0.23 0.42 -0.25 0.00 0.00 175.29 174.41 2ksm s ILE 124 N 1.28 1.80 0.07 1.08 1.01 -1.26 -3.55 121.20 121.63 2ksm s ILE 124 Ca 0.02 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 59.60 2ksm s ILE 124 Cb -0.19 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2ksm s ILE 124 CO -0.11 0.41 0.23 -1.00 0.00 0.00 0.00 174.94 174.48 2ksm s HIS 125 N -0.63 3.51 0.13 3.97 3.76 -1.07 -4.86 115.29 120.11 2ksm s HIS 125 Ca 0.09 0.26 -0.17 0.00 -0.15 0.00 0.00 55.06 55.09 2ksm s HIS 125 Cb -0.09 -1.77 -0.07 0.00 1.11 0.00 0.00 32.58 31.76 2ksm s HIS 125 CO 0.00 0.57 0.58 0.08 -0.85 0.00 0.00 174.74 175.12 2ksm s VAL 126 N -1.54 4.78 -0.46 -0.90 1.01 -1.26 0.08 120.40 122.11 2ksm s VAL 126 Ca 0.35 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.41 2ksm s VAL 126 Cb -0.13 -3.80 0.19 0.00 0.00 0.00 0.00 36.38 32.64 2ksm s VAL 126 CO 0.28 0.34 0.72 -1.81 0.00 0.00 0.00 175.10 174.63 2ksm s ASP 127 N -1.51 -1.38 0.00 3.32 1.01 0.08 -4.91 116.67 113.28 2ksm s ASP 127 Ca 0.36 -1.23 0.00 0.00 0.71 0.00 0.00 52.55 52.39 2ksm s ASP 127 Cb -0.17 1.80 0.00 0.00 1.01 0.00 0.00 42.92 45.56 2ksm s ASP 127 CO 0.19 -0.10 0.25 -2.65 0.21 0.00 0.00 175.17 173.08 2ksm n PRO 128 N 3.54 0.00 -0.04 8.23 -0.02 -1.12 -0.15 135.00 145.44 2ksm n PRO 128 Ca 0.14 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.59 2ksm n PRO 128 Cb 0.57 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.75 0.60 -0.58 -1.45 0.31 -1.26 -5.03 118.33 110.16 2ksm n VAL 129 Ca 0.00 -0.37 -0.25 0.00 -0.01 0.00 0.00 64.34 63.70 2ksm n VAL 129 Cb 0.00 -0.75 0.16 0.00 -0.91 0.00 0.00 33.84 32.35 2ksm n VAL 129 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2ksm n VAL 130 N -2.32 0.00 -3.91 2.52 3.14 0.79 -5.02 118.33 113.53 2ksm n VAL 130 Ca -0.14 -0.14 -0.15 0.00 -2.96 0.00 0.00 64.34 60.94 2ksm n VAL 130 Cb 0.78 -0.55 -0.15 0.00 -1.06 0.00 0.00 33.84 32.86 2ksm n VAL 130 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ksm s ARG 131 N -3.51 0.18 0.33 1.45 1.70 -1.26 -4.86 118.95 112.99 2ksm s ARG 131 Ca 0.46 0.06 -0.02 0.00 -0.47 0.00 0.00 55.73 55.75 2ksm s ARG 131 Cb -0.08 -0.33 -0.00 0.00 -0.57 0.00 0.00 34.95 33.97 2ksm s ARG 131 CO 0.49 -0.09 0.44 -1.12 -1.08 0.00 0.00 175.30 173.94 2ksm s SER 132 N 0.70 0.88 0.36 -2.89 0.01 -1.26 -4.83 113.70 106.67 2ksm s SER 132 Ca -0.07 -1.47 -0.27 0.00 1.31 0.00 0.00 55.95 55.46 2ksm s SER 132 Cb -0.10 0.64 -0.09 0.00 0.21 0.00 0.00 66.02 66.68 2ksm s SER 132 CO -0.01 -1.25 1.16 -0.22 0.41 0.00 0.00 173.24 173.33 2ksm s LEU 133 N -3.23 4.30 -0.58 2.44 2.96 -1.26 -4.97 118.68 118.34 2ksm s LEU 133 Ca 0.31 2.35 -0.25 0.00 -0.22 0.00 0.00 54.13 56.33 2ksm s LEU 133 Cb 0.00 -3.90 0.04 0.00 0.50 0.00 0.00 46.19 42.84 2ksm s LEU 133 CO 0.20 -0.52 0.99 -1.81 -1.32 0.00 0.00 176.35 173.89 2ksm s ASP 134 N -1.03 6.32 0.00 3.68 1.01 -1.26 -4.86 116.67 120.53 2ksm s ASP 134 Ca 0.53 -0.40 0.26 0.00 0.71 0.00 0.00 52.55 53.65 2ksm s ASP 134 Cb -0.31 -2.45 1.08 0.00 1.01 0.00 0.00 42.92 42.25 2ksm s ASP 134 CO 0.40 -1.32 1.75 2.22 0.21 0.00 0.00 175.17 178.43 2ksm n PHE 135 N 7.71 0.06 -0.55 4.23 1.16 -1.26 -4.23 117.46 124.58 2ksm n PHE 135 Ca 0.02 -0.03 0.46 0.00 -1.87 0.00 0.00 57.45 56.02 2ksm n PHE 135 Cb 0.47 0.00 0.75 0.00 -1.61 0.00 0.00 39.48 39.10 2ksm n PHE 135 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 2ksm h SER 136 N 1.83 0.00 -0.50 5.98 0.87 -1.93 2.72 113.55 122.52 2ksm h SER 136 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 2ksm h SER 136 Cb 0.39 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.11 2ksm h SER 136 CO 0.00 0.00 -0.43 -1.54 -0.53 0.00 0.00 176.83 174.33 2ksm n SER 137 N -3.87 3.85 0.10 6.23 3.41 -1.26 -4.56 113.62 117.53 2ksm n SER 137 Ca 0.37 -3.80 0.04 0.00 -0.26 0.00 0.00 58.87 55.22 2ksm n SER 137 Cb 1.78 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 65.21 2ksm n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ksm h ALA 138 N 1.62 0.67 0.16 7.33 0.00 0.45 -3.24 119.26 126.25 2ksm h ALA 138 Ca 0.27 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2ksm h ALA 138 Cb 1.37 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2ksm h ALA 138 CO 0.57 0.58 -0.37 0.93 0.00 0.00 0.00 179.25 180.96 2ksm h GLU 139 N 0.00 -0.56 -0.99 0.00 4.39 -1.80 2.37 114.58 117.98 2ksm h GLU 139 Ca -0.07 0.04 0.21 0.00 0.34 0.00 0.00 59.36 59.89 2ksm h GLU 139 Cb 1.36 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 30.02 2ksm h GLU 139 CO 0.04 -0.37 0.59 -1.00 -1.16 0.00 0.00 179.01 177.11 2ksm h PRO 140 N -0.58 0.64 0.08 2.33 0.13 -1.92 0.55 132.00 133.23 2ksm h PRO 140 Ca -0.02 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2ksm h PRO 140 Cb 0.55 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.54 2ksm h PRO 140 CO -0.15 0.43 -0.04 0.28 -0.23 0.00 0.00 178.00 178.29 2ksm h VAL 141 N 0.66 0.00 -1.02 1.56 2.07 -1.20 -2.63 116.25 115.69 2ksm h VAL 141 Ca 0.60 -0.33 0.30 0.00 0.82 0.00 0.00 66.70 68.09 2ksm h VAL 141 Cb 1.04 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.67 2ksm h VAL 141 CO -0.43 0.00 0.59 0.15 0.02 0.00 0.00 177.57 177.91 2ksm h PHE 142 N -0.43 0.92 -0.26 1.57 3.57 0.41 2.06 116.94 124.78 2ksm h PHE 142 Ca -0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2ksm h PHE 142 Cb 0.08 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2ksm h PHE 142 CO 0.02 -0.10 0.01 1.79 -2.23 0.00 0.00 178.31 177.81 2ksm h THR 143 N 0.39 1.15 0.00 4.41 1.35 0.02 0.11 112.91 120.34 2ksm h THR 143 Ca 0.71 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 2ksm h THR 143 Cb 1.59 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2ksm h THR 143 CO -0.55 0.20 0.00 0.00 -0.25 0.00 0.00 175.52 174.93 2ksm h ALA 144 N 1.65 1.00 -0.21 6.62 0.00 0.37 -2.40 119.26 126.29 2ksm h ALA 144 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ksm h ALA 144 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ksm h ALA 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.70 2ksm n SER 145 N -2.85 2.47 -0.10 0.00 2.88 0.06 -4.63 113.62 111.45 2ksm n SER 145 Ca 0.01 -1.83 -0.09 0.00 -1.33 0.00 0.00 58.87 55.63 2ksm n SER 145 Cb 0.26 -0.14 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 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 1.66 1.11 0.00 2.46 2.07 -0.36 -2.37 116.25 120.82 2ksm h VAL 146 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2ksm h VAL 146 Cb 0.60 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2ksm h VAL 146 CO 0.00 0.10 0.00 -0.81 0.02 0.00 0.00 177.57 176.88 2ksm n PRO 147 N -4.84 0.37 -3.41 1.57 -0.04 -1.26 -3.97 135.00 123.42 2ksm n PRO 147 Ca -0.01 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.19 2ksm n PRO 147 Cb 0.05 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.16 0.04 -1.41 0.52 1.01 -0.89 -4.98 121.20 114.33 2ksm s ILE 148 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 58.95 2ksm s ILE 148 Cb 0.00 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.45 2ksm s ILE 148 CO 0.00 -0.93 0.65 -0.81 0.00 0.00 0.00 174.94 173.85 2ksm n PRO 149 N 3.86 0.92 -0.92 2.79 -0.04 -1.25 -3.14 135.00 137.22 2ksm n PRO 149 Ca 0.15 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 2ksm n PRO 149 Cb 0.41 -1.27 0.17 0.00 -0.04 0.00 0.00 33.50 32.76 2ksm n PRO 149 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ksm n ASP 150 N -0.18 2.23 -4.91 3.54 -0.08 -1.08 -1.04 116.55 115.02 2ksm n ASP 150 Ca 0.00 -3.77 -0.22 0.00 -1.51 0.00 0.00 54.79 49.29 2ksm n ASP 150 Cb 0.14 -0.49 -0.03 0.00 2.34 0.00 0.00 41.12 43.08 2ksm n ASP 150 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2ksm s PHE 151 N -3.15 3.33 -0.01 -0.67 0.40 -0.90 -3.54 117.98 113.45 2ksm s PHE 151 Ca 0.40 -0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2ksm s PHE 151 Cb 0.38 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 2ksm s PHE 151 CO -0.06 0.48 -0.12 0.20 0.70 0.00 0.00 175.22 176.42 2ksm s GLY 152 N -3.80 0.62 -0.09 4.36 0.00 -0.67 -2.63 107.32 105.10 2ksm s GLY 152 Ca 0.34 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.53 2ksm s GLY 152 CO 0.27 -0.43 -0.12 1.08 0.00 0.00 0.00 173.10 173.90 2ksm s LEU 153 N -0.27 1.58 -0.04 0.66 2.01 -1.02 -3.13 118.68 118.47 2ksm s LEU 153 Ca 0.04 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 53.83 2ksm s LEU 153 Cb -0.05 -0.94 0.03 0.00 0.01 0.00 0.00 46.19 45.24 2ksm s LEU 153 CO -0.00 -0.01 -0.01 -0.75 1.01 0.00 0.00 176.35 176.58 2ksm s LYS 154 N 1.02 0.55 -0.09 1.70 2.20 -1.12 -1.99 119.74 122.01 2ksm s LYS 154 Ca -0.07 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.57 2ksm s LYS 154 Cb -0.15 -0.71 -0.02 0.00 -1.51 0.00 0.00 37.83 35.44 2ksm s LYS 154 CO -0.01 -0.15 -0.11 0.08 -0.36 0.00 0.00 175.35 174.80 2ksm s VAL 155 N 1.19 3.30 0.00 4.02 1.01 -1.03 -1.27 120.40 127.62 2ksm s VAL 155 Ca -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2ksm s VAL 155 Cb -0.14 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2ksm s VAL 155 CO -0.02 0.56 0.00 1.21 0.00 0.00 0.00 175.10 176.86 2ksm n GLU 156 N 2.77 3.89 0.08 2.72 4.07 0.18 -3.85 120.64 130.51 2ksm n GLU 156 Ca -0.18 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.89 2ksm n GLU 156 Cb 0.53 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.89 2ksm n GLU 156 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ksm h ARG 157 N 0.00 -0.22 0.00 5.31 2.47 -2.00 -3.40 114.38 116.54 2ksm h ARG 157 Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2ksm h ARG 157 Cb 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2ksm h ARG 157 CO 0.00 -0.15 -0.04 -0.40 0.56 0.00 0.00 179.97 179.95 2ksm n ASP 158 N -3.02 1.82 -4.30 7.04 5.75 -1.26 -5.04 116.55 117.54 2ksm n ASP 158 Ca -0.03 -2.34 -0.17 0.00 -0.01 0.00 0.00 54.79 52.24 2ksm n ASP 158 Cb 0.09 -0.18 -0.10 0.00 -1.03 0.00 0.00 41.12 39.90 2ksm n ASP 158 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2ksm s THR 159 N -1.58 1.47 -0.04 2.12 2.01 -1.26 -4.33 115.64 114.03 2ksm s THR 159 Ca 0.13 -2.12 0.00 0.00 0.31 0.00 0.00 61.69 60.01 2ksm s THR 159 Cb 0.11 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.72 2ksm s THR 159 CO 0.01 -0.65 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.59 2ksm s VAL 160 N -3.07 0.30 0.03 3.82 1.01 0.01 0.48 120.40 122.99 2ksm s VAL 160 Ca 0.19 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.27 2ksm s VAL 160 Cb 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2ksm s VAL 160 CO 0.04 0.19 -0.14 -0.89 0.00 0.00 0.00 175.10 174.30 2ksm s THR 161 N 1.20 3.13 -0.10 3.92 2.01 -0.40 -2.51 115.64 122.90 2ksm s THR 161 Ca -0.07 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 60.89 2ksm s THR 161 Cb -0.13 -2.35 0.02 0.00 0.01 0.00 0.00 72.50 70.04 2ksm s THR 161 CO -0.02 0.33 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.89 2ksm s LEU 162 N -1.51 1.66 -0.13 4.42 0.20 -0.33 -2.78 118.68 120.21 2ksm s LEU 162 Ca 0.16 -0.39 -0.06 0.00 0.69 0.00 0.00 54.13 54.53 2ksm s LEU 162 Cb -0.11 -1.01 0.05 0.00 -0.43 0.00 0.00 46.19 44.69 2ksm s LEU 162 CO 0.07 0.01 0.29 0.42 -0.29 0.00 0.00 176.35 176.85 2ksm s THR 163 N 0.97 -0.12 -0.12 3.68 -4.23 -1.18 -2.07 115.64 112.56 2ksm s THR 163 Ca -0.07 0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 60.35 2ksm s THR 163 Cb -0.15 -0.45 0.06 0.00 1.34 0.00 0.00 72.50 73.30 2ksm s THR 163 CO -0.01 0.07 0.60 -0.83 -0.54 0.00 0.00 174.62 173.91 2ksm s GLY 164 N 1.54 -0.47 -0.21 3.99 0.00 -1.26 -1.67 107.32 109.23 2ksm s GLY 164 Ca -0.07 1.35 -0.29 0.00 0.00 0.00 0.00 44.72 45.70 2ksm s GLY 164 CO -0.10 1.06 1.51 -1.59 0.00 0.00 0.00 173.10 173.99 2ksm s THR 165 N -0.57 3.84 -0.58 0.90 2.01 -1.23 -4.43 115.64 115.58 2ksm s THR 165 Ca -0.07 0.96 0.04 0.00 0.31 0.00 0.00 61.69 62.94 2ksm s THR 165 Cb -0.03 -3.81 0.16 0.00 0.01 0.00 0.00 72.50 68.84 2ksm s THR 165 CO 0.05 -0.29 0.40 0.00 -0.69 0.00 0.00 174.62 174.10 2ksm s ALA 166 N 4.72 2.89 -1.19 7.40 0.00 -1.26 -4.89 121.76 129.44 2ksm s ALA 166 Ca 0.67 -3.26 0.00 0.00 0.00 0.00 0.00 51.96 49.37 2ksm s ALA 166 Cb -0.24 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 20.92 2ksm s ALA 166 CO 0.26 -2.05 0.45 -2.30 0.00 0.00 0.00 175.76 172.12 2ksm n PRO 167 N 2.48 0.00 0.00 0.00 -0.02 -1.26 -4.48 135.00 131.72 2ksm n PRO 167 Ca 0.20 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2ksm n PRO 167 Cb 0.38 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2ksm n PRO 167 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ksm n SER 168 N -0.95 0.00 0.00 2.55 2.88 -1.26 -4.98 113.62 111.86 2ksm n SER 168 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2ksm n SER 168 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2ksm n SER 168 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ksm n SER 169 N 0.00 0.00 0.21 -3.46 7.64 -1.26 -4.81 113.62 111.94 2ksm n SER 169 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2ksm n SER 169 Cb 0.00 0.13 0.42 0.00 -1.01 0.00 0.00 64.21 63.75 2ksm n SER 169 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2ksm h GLU 170 N 0.00 0.00 0.04 1.43 5.08 -1.99 0.06 114.58 119.20 2ksm h GLU 170 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ksm h GLU 170 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ksm h GLU 170 CO 0.00 0.00 -0.02 0.45 -1.00 0.00 0.00 179.01 178.44 2ksm h HIS 171 N 0.00 -0.05 -0.62 4.33 3.86 -1.96 -3.03 115.15 117.69 2ksm h HIS 171 Ca 0.11 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.37 2ksm h HIS 171 Cb 1.63 0.02 -0.08 0.00 1.06 0.00 0.00 27.41 30.04 2ksm h HIS 171 CO 0.00 -0.03 -0.41 -0.22 0.86 0.00 0.00 177.93 178.13 2ksm h LYS 172 N -0.54 -0.06 0.27 2.45 3.11 -1.31 0.71 116.57 121.20 2ksm h LYS 172 Ca -0.01 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2ksm h LYS 172 Cb 0.04 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.26 2ksm h LYS 172 CO 0.01 -0.04 -0.41 0.22 -2.81 0.00 0.00 179.45 176.42 2ksm h ASP 173 N -0.06 -1.16 -0.92 4.20 3.58 -1.65 0.10 116.42 120.51 2ksm h ASP 173 Ca 0.10 0.11 0.15 0.00 0.42 0.00 0.00 57.03 57.80 2ksm h ASP 173 Cb 0.32 0.40 -0.09 0.00 1.72 0.00 0.00 39.33 41.68 2ksm h ASP 173 CO -0.61 -0.49 0.52 0.00 -2.88 0.00 0.00 179.24 175.78 2ksm h ALA 174 N -0.95 1.41 -0.49 -0.78 0.00 -1.32 0.11 119.26 117.24 2ksm h ALA 174 Ca -0.03 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2ksm h ALA 174 Cb 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2ksm h ALA 174 CO -0.12 0.01 0.09 0.28 0.00 0.00 0.00 179.25 179.50 2ksm h VAL 175 N 0.75 1.25 -0.18 0.00 2.07 0.81 -2.08 116.25 118.88 2ksm h VAL 175 Ca 0.49 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2ksm h VAL 175 Cb 0.65 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2ksm h VAL 175 CO -0.33 0.32 0.01 0.50 0.02 0.00 0.00 177.57 178.09 2ksm h LYS 176 N 0.68 0.30 -0.91 1.57 3.11 0.33 -2.00 116.57 119.65 2ksm h LYS 176 Ca 0.15 -0.09 0.07 0.00 -2.81 0.00 0.00 60.65 57.97 2ksm h LYS 176 Cb 0.38 -0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 31.52 2ksm h LYS 176 CO 0.01 0.50 0.57 0.00 -2.81 0.00 0.00 179.45 177.72 2ksm h ARG 177 N 0.07 1.00 -0.43 1.90 3.08 -0.98 0.23 114.38 119.24 2ksm h ARG 177 Ca 0.05 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2ksm h ARG 177 Cb 0.35 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2ksm h ARG 177 CO 0.01 0.66 0.11 0.00 -1.07 0.00 0.00 179.97 179.68 2ksm h ALA 178 N 1.43 0.57 0.18 0.04 0.00 -1.24 -2.01 119.26 118.24 2ksm h ALA 178 Ca 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2ksm h ALA 178 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ksm h ALA 178 CO -0.19 0.25 -0.09 0.00 0.00 0.00 0.00 179.25 179.23 2ksm h ALA 179 N 0.97 -0.24 -0.52 0.00 0.00 -0.62 -2.83 119.26 116.02 2ksm h ALA 179 Ca 0.14 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2ksm h ALA 179 Cb 0.31 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 2ksm h ALA 179 CO 0.00 -0.43 0.05 1.15 0.00 0.00 0.00 179.25 180.02 2ksm h THR 180 N -0.65 0.64 0.00 0.00 2.02 -0.60 0.34 112.91 114.66 2ksm h THR 180 Ca -0.02 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2ksm h THR 180 Cb 0.47 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2ksm h THR 180 CO 0.04 0.03 -0.04 0.28 0.37 0.00 0.00 175.52 176.20 2ksm h SER 181 N 0.17 0.00 0.57 4.18 0.02 -1.40 0.27 113.55 117.36 2ksm h SER 181 Ca 0.26 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.99 2ksm h SER 181 Cb 0.39 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2ksm h SER 181 CO -0.39 0.04 -1.59 0.35 -1.14 0.00 0.00 176.83 174.10 2ksm n THR 182 N -3.42 1.35 -3.17 -2.27 -2.24 0.49 -4.51 114.28 100.50 2ksm n THR 182 Ca -0.02 -0.74 -0.21 0.00 -2.27 0.00 0.00 64.05 60.81 2ksm n THR 182 Cb 0.16 -0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 2ksm n THR 182 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2ksm n TRP 183 N -2.93 0.53 0.07 4.78 8.01 0.89 -4.95 117.44 123.83 2ksm n TRP 183 Ca -0.14 -3.79 -0.09 0.00 -1.31 0.00 0.00 57.50 52.17 2ksm n TRP 183 Cb 0.94 -0.41 0.03 0.00 -2.01 0.00 0.00 31.31 29.85 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 3.27 0.31 -0.02 -0.99 0.13 -0.73 -3.15 132.00 130.82 2ksm h PRO 184 Ca 0.10 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2ksm h PRO 184 Cb 0.90 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2ksm h PRO 184 CO 0.53 0.94 0.00 -0.25 -0.23 0.00 0.00 178.00 179.00 2ksm n ASP 185 N -3.78 0.59 -4.40 1.44 9.92 -1.26 -4.75 116.55 114.31 2ksm n ASP 185 Ca -0.04 -1.27 -0.34 0.00 -0.53 0.00 0.00 54.79 52.61 2ksm n ASP 185 Cb 0.74 -0.01 -0.14 0.00 -0.64 0.00 0.00 41.12 41.07 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 -1.98 3.47 -0.57 -1.24 -1.94 -1.19 -5.03 119.30 110.81 2ksm s MET 186 Ca 0.41 -0.62 -0.37 0.00 -1.71 0.00 0.00 55.69 53.39 2ksm s MET 186 Cb 0.20 -2.79 -0.16 0.00 2.01 0.00 0.00 34.83 34.09 2ksm s MET 186 CO 0.33 0.14 2.31 1.63 -0.01 0.00 0.00 175.02 179.42 2ksm n LYS 187 N 3.77 0.42 -3.81 2.03 5.02 -1.26 -4.74 118.16 119.59 2ksm n LYS 187 Ca -0.18 0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 55.84 2ksm n LYS 187 Cb 0.52 -1.96 -0.13 0.00 -0.02 0.00 0.00 35.03 33.44 2ksm n LYS 187 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ksm s ILE 188 N 7.65 3.82 -0.31 -0.18 -1.09 -1.25 -0.81 121.20 129.03 2ksm s ILE 188 Ca 1.19 -0.53 0.03 0.00 -2.23 0.00 0.00 60.65 59.11 2ksm s ILE 188 Cb -1.13 -2.86 0.09 0.00 -1.58 0.00 0.00 42.46 36.97 2ksm s ILE 188 CO 0.53 0.25 0.01 0.54 -1.23 0.00 0.00 174.94 175.04 2ksm s VAL 189 N 1.51 2.01 -0.56 2.92 0.11 -1.04 -5.02 120.40 120.32 2ksm s VAL 189 Ca 0.04 -1.95 -0.15 0.00 -2.93 0.00 0.00 61.98 56.99 2ksm s VAL 189 Cb -0.16 -2.38 0.14 0.00 -1.53 0.00 0.00 36.38 32.45 2ksm s VAL 189 CO 0.01 -0.43 0.51 0.20 -3.33 0.00 0.00 175.10 172.06 2ksm s ASN 190 N 1.08 6.18 -0.64 3.54 0.01 -1.26 -1.19 114.94 122.66 2ksm s ASN 190 Ca 0.05 -1.92 -0.01 0.00 -0.71 0.00 0.00 52.86 50.27 2ksm s ASN 190 Cb -0.19 -2.18 0.16 0.00 0.41 0.00 0.00 41.25 39.45 2ksm s ASN 190 CO -0.09 -0.80 0.45 0.20 -1.51 0.00 0.00 177.10 175.35 2ksm s ASN 191 N 3.29 5.11 0.14 -1.22 0.01 -0.88 -5.00 114.94 116.38 2ksm s ASN 191 Ca 0.05 -3.07 -0.06 0.00 -0.71 0.00 0.00 52.86 49.07 2ksm s ASN 191 Cb -0.27 -1.80 -0.06 0.00 0.41 0.00 0.00 41.25 39.52 2ksm s ASN 191 CO 0.01 -0.30 0.40 -0.63 -1.51 0.00 0.00 177.10 175.08 2ksm s ILE 192 N -0.37 5.12 -0.04 0.60 1.01 -1.26 -4.68 121.20 121.57 2ksm s ILE 192 Ca 0.19 0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.03 2ksm s ILE 192 Cb -0.19 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.68 2ksm s ILE 192 CO -0.05 0.08 -0.04 -1.83 0.00 0.00 0.00 174.94 173.10 2ksm s GLU 193 N -2.52 0.77 -0.06 2.79 -1.05 -1.26 -5.05 118.70 112.32 2ksm s GLU 193 Ca 0.40 -0.08 -0.30 0.00 -0.15 0.00 0.00 54.97 54.85 2ksm s GLU 193 Cb -0.12 -0.82 -0.03 0.00 -0.44 0.00 0.00 34.13 32.72 2ksm s GLU 193 CO 0.23 -0.10 1.14 0.14 0.95 0.00 0.00 175.26 177.61 2ksm s VAL 194 N 0.99 4.42 0.90 1.83 -7.23 -1.26 -4.39 120.40 115.66 2ksm s VAL 194 Ca -0.10 1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 61.67 2ksm s VAL 194 Cb -0.14 -4.11 0.08 0.00 0.56 0.00 0.00 36.38 32.77 2ksm s VAL 194 CO -0.00 0.01 -0.02 1.07 -0.31 0.00 0.00 175.10 175.85 2ksm n THR 195 N 4.53 0.00 -0.12 5.32 5.66 -1.26 -4.60 114.28 123.81 2ksm n THR 195 Ca 0.10 -0.05 0.03 0.00 -3.05 0.00 0.00 64.05 61.08 2ksm n THR 195 Cb 0.47 -0.33 0.06 0.00 -1.55 0.00 0.00 70.33 68.98 2ksm n THR 195 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ksm n GLY 196 N 2.66 -0.53 5.00 1.09 0.00 -1.26 -4.67 105.19 107.48 2ksm n GLY 196 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2ksm n GLY 196 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksm n GLN 197 N -4.46 0.00 -2.47 1.61 0.00 -1.26 -4.83 117.38 105.96 2ksm n GLN 197 Ca 0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.76 2ksm n GLN 197 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.42 2ksm n GLN 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ksm s ALA 198 N 0.00 3.24 0.78 1.69 0.00 -1.26 -5.06 121.76 121.14 2ksm s ALA 198 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 2ksm s ALA 198 Cb 0.00 -2.86 0.06 0.00 0.00 0.00 0.00 23.12 20.31 2ksm s ALA 198 CO 0.00 -0.29 1.08 -1.25 0.00 0.00 0.00 175.76 175.30 2ksm s PRO 199 N -4.39 2.24 0.04 0.00 0.04 -1.26 -4.83 135.00 126.83 2ksm s PRO 199 Ca 0.53 0.83 0.01 0.00 0.04 0.00 0.00 61.00 62.41 2ksm s PRO 199 Cb -0.10 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.56 2ksm s PRO 199 CO 0.39 -1.56 0.68 -2.30 0.04 0.00 0.00 177.00 174.25 2ksm n PRO 200 N -3.42 0.01 -3.54 0.56 -0.02 -1.26 -2.40 135.00 124.93 2ksm n PRO 200 Ca 0.07 0.18 -0.27 0.00 -2.02 0.00 0.00 63.50 61.47 2ksm n PRO 200 Cb 0.55 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.15 3.58 0.25 -1.23 0.00 -1.26 -4.97 105.19 100.41 2ksm n GLY 201 Ca -0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 46.02 43.85 2ksm n GLY 201 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksm h PRO 202 N 4.89 0.60 -0.01 1.61 0.11 -1.83 -3.52 132.00 133.86 2ksm h PRO 202 Ca 0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2ksm h PRO 202 Cb 0.79 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2ksm h PRO 202 CO 0.62 0.40 0.00 -0.35 -0.21 0.00 0.00 178.00 178.46