#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 -2.14 0.24 4.61 0.00 -1.26 -5.11 121.76 118.11 2ksm s ALA 74 Ca 0.00 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.27 2ksm s ALA 74 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2ksm s ALA 74 CO 0.00 -0.82 0.00 0.43 0.00 0.00 0.00 175.76 175.37 2ksm n SER 75 N 5.12 -8.57 0.00 0.00 7.64 -1.26 -5.05 113.62 111.51 2ksm n SER 75 Ca -0.13 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2ksm n SER 75 Cb 0.51 -4.70 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 2ksm n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ksm n ALA 76 N 1.34 0.54 -0.49 -0.43 0.00 -1.26 -5.09 120.51 115.12 2ksm n ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ksm n ALA 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.26 0.00 -4.89 0.00 4.77 -1.26 -4.37 117.00 108.99 2ksm n LEU 77 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2ksm n LEU 77 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2ksm n LEU 77 CO 0.00 0.00 -0.14 -0.44 -1.33 0.00 0.00 177.39 175.48 2ksm s SER 78 N -4.00 6.42 0.71 -1.43 0.01 -1.26 -5.06 113.70 109.09 2ksm s SER 78 Ca 0.00 0.47 -0.00 0.00 1.31 0.00 0.00 55.95 57.73 2ksm s SER 78 Cb 0.00 -2.06 0.12 0.00 0.21 0.00 0.00 66.02 64.29 2ksm s SER 78 CO 0.00 0.34 0.98 -0.76 0.41 0.00 0.00 173.24 174.21 2ksm s LEU 79 N -1.41 2.99 0.91 2.44 1.02 -1.26 -5.05 118.68 118.32 2ksm s LEU 79 Ca 0.21 -0.36 -0.13 0.00 0.02 0.00 0.00 54.13 53.86 2ksm s LEU 79 Cb -0.13 -2.00 0.17 0.00 0.02 0.00 0.00 46.19 44.26 2ksm s LEU 79 CO 0.11 -1.82 1.26 -0.94 0.02 0.00 0.00 176.35 174.97 2ksm s SER 80 N -4.72 3.47 0.29 2.29 1.04 -1.26 -4.40 113.70 110.40 2ksm s SER 80 Ca 0.66 0.25 0.11 0.00 0.48 0.00 0.00 55.95 57.45 2ksm s SER 80 Cb -0.05 -0.41 -0.05 0.00 0.10 0.00 0.00 66.02 65.61 2ksm s SER 80 CO 0.44 -2.50 -0.12 -1.48 0.98 0.00 0.00 173.24 170.56 2ksm s LEU 81 N -5.75 2.80 0.25 2.42 2.34 -1.26 -4.22 118.68 115.26 2ksm s LEU 81 Ca 0.71 -0.93 0.11 0.00 0.06 0.00 0.00 54.13 54.08 2ksm s LEU 81 Cb -0.05 -1.28 -0.05 0.00 -0.56 0.00 0.00 46.19 44.25 2ksm s LEU 81 CO 0.51 -0.01 -0.18 -0.22 -1.06 0.00 0.00 176.35 175.39 2ksm s LEU 82 N -3.58 2.64 -0.04 1.48 2.96 -0.62 -4.56 118.68 116.97 2ksm s LEU 82 Ca 0.31 -0.91 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 2ksm s LEU 82 Cb -0.04 -1.22 0.03 0.00 0.50 0.00 0.00 46.19 45.45 2ksm s LEU 82 CO 0.17 0.06 0.05 -0.44 -1.32 0.00 0.00 176.35 174.87 2ksm s SER 83 N -3.25 1.02 -0.06 3.68 0.01 -1.07 -3.04 113.70 110.98 2ksm s SER 83 Ca 0.27 0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.60 2ksm s SER 83 Cb -0.06 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.03 2ksm s SER 83 CO 0.14 -0.22 -0.06 -0.63 0.41 0.00 0.00 173.24 172.88 2ksm s ILE 84 N 1.96 0.68 -0.06 1.44 1.01 -0.77 -1.88 121.20 123.59 2ksm s ILE 84 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2ksm s ILE 84 Cb -0.12 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.66 2ksm s ILE 84 CO -0.03 0.27 -0.14 -0.44 0.00 0.00 0.00 174.94 174.59 2ksm s SER 85 N 1.06 1.93 -0.17 3.58 0.01 0.30 -2.06 113.70 118.34 2ksm s SER 85 Ca -0.08 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 56.82 2ksm s SER 85 Cb -0.14 -0.73 0.06 0.00 0.21 0.00 0.00 66.02 65.41 2ksm s SER 85 CO -0.01 0.09 0.04 -0.13 0.41 0.00 0.00 173.24 173.65 2ksm s ARG 86 N 0.38 0.49 -0.16 12.44 0.52 -0.92 -0.77 118.95 130.93 2ksm s ARG 86 Ca -0.10 -0.26 -0.07 0.00 -0.52 0.00 0.00 55.73 54.78 2ksm s ARG 86 Cb -0.14 -1.88 -0.07 0.00 0.52 0.00 0.00 34.95 33.38 2ksm s ARG 86 CO 0.03 -0.60 -0.19 0.45 0.02 0.00 0.00 175.30 175.01 2ksm n SER 87 N 5.12 1.32 0.00 0.23 2.88 0.00 -1.86 113.62 121.31 2ksm n SER 87 Ca -0.08 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2ksm n SER 87 Cb 0.48 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2ksm n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ksm n GLY 88 N 2.11 3.83 4.27 0.46 0.00 -1.15 -3.95 105.19 110.76 2ksm n GLY 88 Ca -0.30 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2ksm n GLY 88 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ksm n ASN 89 N 0.00 0.00 -4.17 1.61 2.85 -1.26 -4.84 115.26 109.45 2ksm n ASN 89 Ca 0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 2ksm n ASN 89 Cb 0.00 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.86 2ksm n ASN 89 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2ksm s THR 90 N 0.00 1.49 -0.04 -0.44 -4.23 -1.26 0.17 115.64 111.33 2ksm s THR 90 Ca 0.00 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.78 2ksm s THR 90 Cb 0.00 -1.26 -0.01 0.00 1.34 0.00 0.00 72.50 72.58 2ksm s THR 90 CO 0.00 0.42 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.63 2ksm s VAL 91 N -0.21 1.52 -0.21 2.29 1.01 -1.12 -3.59 120.40 120.08 2ksm s VAL 91 Ca 0.02 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2ksm s VAL 91 Cb -0.09 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.03 2ksm s VAL 91 CO 0.01 0.43 -0.15 -0.89 0.00 0.00 0.00 175.10 174.50 2ksm s THR 92 N -0.03 2.04 -0.06 3.92 2.01 0.05 -1.43 115.64 122.13 2ksm s THR 92 Ca -0.03 -1.21 -0.02 0.00 0.31 0.00 0.00 61.69 60.74 2ksm s THR 92 Cb -0.11 -1.99 0.03 0.00 0.01 0.00 0.00 72.50 70.43 2ksm s THR 92 CO 0.02 0.27 0.05 -0.76 -0.69 0.00 0.00 174.62 173.51 2ksm s LEU 93 N 1.24 0.28 0.13 4.42 1.02 -0.98 0.11 118.68 124.89 2ksm s LEU 93 Ca -0.01 -0.05 0.04 0.00 0.02 0.00 0.00 54.13 54.13 2ksm s LEU 93 Cb -0.16 -0.22 -0.04 0.00 0.02 0.00 0.00 46.19 45.78 2ksm s LEU 93 CO -0.09 -0.25 -0.09 0.27 0.02 0.00 0.00 176.35 176.20 2ksm s ILE 94 N 2.12 1.04 -5.00 -0.59 -4.36 -0.79 -1.95 121.20 111.67 2ksm s ILE 94 Ca 0.05 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 2ksm s ILE 94 Cb -0.13 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 41.82 2ksm s ILE 94 CO -0.04 -0.76 0.00 0.61 0.24 0.00 0.00 174.94 174.99 2ksm n GLY 95 N -0.08 0.39 3.15 6.27 0.00 -1.25 -2.60 105.19 111.06 2ksm n GLY 95 Ca -0.11 -1.62 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 2ksm n GLY 95 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ksm s ASP 96 N -4.00 2.42 0.25 1.61 -4.77 -1.26 -3.42 116.67 107.50 2ksm s ASP 96 Ca 0.00 -0.41 0.08 0.00 -3.30 0.00 0.00 52.55 48.92 2ksm s ASP 96 Cb 0.00 -0.83 -0.04 0.00 -1.09 0.00 0.00 42.92 40.96 2ksm s ASP 96 CO 0.00 0.15 0.08 -0.36 0.70 0.00 0.00 175.17 175.74 2ksm s PHE 97 N 0.17 2.89 -0.01 2.11 0.40 0.13 -4.79 117.98 118.88 2ksm s PHE 97 Ca -0.08 -0.17 -0.19 0.00 -0.60 0.00 0.00 56.93 55.89 2ksm s PHE 97 Cb -0.14 -1.30 -0.34 0.00 0.51 0.00 0.00 43.02 41.76 2ksm s PHE 97 CO 0.04 0.57 0.94 -1.00 0.70 0.00 0.00 175.22 176.47 2ksm h PRO 98 N 1.76 0.42 0.00 0.24 0.13 -1.86 -1.68 132.00 131.01 2ksm h PRO 98 Ca -0.46 -0.72 -0.33 0.00 -0.87 0.00 0.00 66.00 63.62 2ksm h PRO 98 Cb 1.24 0.27 -0.08 0.00 0.13 0.00 0.00 31.00 32.56 2ksm h PRO 98 CO 0.60 1.34 -0.30 -0.25 -0.23 0.00 0.00 178.00 179.17 2ksm n ASP 99 N -3.93 0.24 -0.09 1.44 8.00 -1.26 -4.27 116.55 116.68 2ksm n ASP 99 Ca -0.16 -2.42 -0.13 0.00 0.71 0.00 0.00 54.79 52.80 2ksm n ASP 99 Cb 0.96 0.90 -0.14 0.00 -0.02 0.00 0.00 41.12 42.82 2ksm n ASP 99 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ksm n GLU 100 N -0.49 0.68 0.24 -1.24 -0.58 -1.26 -4.21 120.64 113.77 2ksm n GLU 100 Ca 0.01 0.10 0.14 0.00 -0.42 0.00 0.00 57.16 56.99 2ksm n GLU 100 Cb 0.39 -1.56 0.80 0.00 -0.57 0.00 0.00 31.44 30.50 2ksm n GLU 100 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ksm h ALA 101 N 0.59 1.80 -0.63 0.62 0.00 -2.03 -0.61 119.26 119.01 2ksm h ALA 101 Ca -0.52 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.57 2ksm h ALA 101 Cb 2.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.86 2ksm h ALA 101 CO -0.00 -0.13 0.45 0.00 0.00 0.00 0.00 179.25 179.57 2ksm h ALA 102 N 1.92 2.59 -0.62 0.00 0.00 -2.00 0.11 119.26 121.26 2ksm h ALA 102 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2ksm h ALA 102 Cb 0.21 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2ksm h ALA 102 CO -0.00 -0.77 0.12 1.57 0.00 0.00 0.00 179.25 180.16 2ksm h LYS 103 N 0.00 0.99 -0.61 0.00 2.10 -1.36 -3.02 116.57 114.67 2ksm h LYS 103 Ca 0.30 -0.24 0.08 0.00 -2.00 0.00 0.00 60.65 58.79 2ksm h LYS 103 Cb 1.19 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 32.33 2ksm h LYS 103 CO -0.00 0.90 0.28 0.00 -2.00 0.00 0.00 179.45 178.63 2ksm h ALA 104 N 1.18 0.80 -0.56 0.07 0.00 -0.92 0.88 119.26 120.71 2ksm h ALA 104 Ca 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2ksm h ALA 104 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2ksm h ALA 104 CO 0.01 -0.11 0.31 0.00 0.00 0.00 0.00 179.25 179.45 2ksm h ALA 105 N 1.38 1.48 0.18 0.00 0.00 -1.57 -1.20 119.26 119.52 2ksm h ALA 105 Ca 0.30 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 2ksm h ALA 105 Cb 0.30 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.88 2ksm h ALA 105 CO -0.25 0.43 -1.08 1.25 0.00 0.00 0.00 179.25 179.60 2ksm h LEU 106 N 0.78 0.58 -0.34 0.00 6.46 -1.27 -3.34 115.31 118.19 2ksm h LEU 106 Ca 0.20 -0.94 0.07 0.00 -0.12 0.00 0.00 57.88 57.10 2ksm h LEU 106 Cb 0.02 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 39.69 2ksm h LEU 106 CO -0.03 1.52 -0.16 -0.03 -0.62 0.00 0.00 178.44 179.11 2ksm h MET 107 N -0.20 -0.11 -0.62 1.25 4.05 0.10 0.61 114.93 120.02 2ksm h MET 107 Ca -0.19 0.01 0.18 0.00 -0.28 0.00 0.00 59.70 59.41 2ksm h MET 107 Cb 1.82 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.62 2ksm h MET 107 CO 0.18 -0.07 0.79 1.79 0.23 0.00 0.00 176.91 179.84 2ksm h THR 108 N -0.11 0.16 -0.11 -0.77 1.35 -1.34 1.41 112.91 113.49 2ksm h THR 108 Ca 0.17 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.80 2ksm h THR 108 Cb 0.37 0.34 0.01 0.00 -1.73 0.00 0.00 68.15 67.15 2ksm h THR 108 CO -0.41 0.00 -0.85 0.00 -0.25 0.00 0.00 175.52 174.01 2ksm h ALA 109 N 1.00 0.27 -0.97 6.62 0.00 0.10 -3.20 119.26 123.08 2ksm h ALA 109 Ca 0.29 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ksm h ALA 109 Cb 1.87 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 2ksm h ALA 109 CO -0.00 0.69 0.62 -0.07 0.00 0.00 0.00 179.25 180.48 2ksm h LEU 110 N 0.50 1.13 -0.74 0.00 3.38 0.21 -1.94 115.31 117.86 2ksm h LEU 110 Ca -0.07 -0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.04 2ksm h LEU 110 Cb 1.48 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2ksm h LEU 110 CO 0.17 0.84 1.11 -1.13 0.09 0.00 0.00 178.44 179.52 2ksm h ASN 111 N 1.32 0.00 0.55 -0.43 -0.73 -1.44 2.46 115.58 117.31 2ksm h ASN 111 Ca 0.35 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 58.23 2ksm h ASN 111 Cb -0.11 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.45 2ksm h ASN 111 CO -0.07 0.00 -1.53 1.23 -0.37 0.00 0.00 177.43 176.69 2ksm h GLY 112 N 0.00 0.13 0.44 1.57 0.00 -1.53 -3.35 103.07 100.34 2ksm h GLY 112 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2ksm h GLY 112 CO -0.00 0.29 -1.35 -0.10 0.00 0.00 0.00 176.54 175.37 2ksm n LEU 113 N -3.29 0.48 -4.37 3.11 7.94 0.75 -4.92 117.00 116.70 2ksm n LEU 113 Ca -0.15 0.04 -0.53 0.00 -1.11 0.00 0.00 56.01 54.26 2ksm n LEU 113 Cb 1.03 -0.05 -0.10 0.00 0.53 0.00 0.00 43.42 44.83 2ksm n LEU 113 CO 0.47 -0.01 1.83 -0.11 -1.11 0.00 0.00 177.39 178.45 2ksm n LEU 114 N -2.20 1.37 -4.60 -1.96 0.00 0.32 -4.91 117.00 105.02 2ksm n LEU 114 Ca -0.00 0.46 -0.24 0.00 0.00 0.00 0.00 56.01 56.22 2ksm n LEU 114 Cb 0.50 -1.09 -0.09 0.00 0.00 0.00 0.00 43.42 42.74 2ksm n LEU 114 CO 0.42 -0.78 -0.34 0.00 0.00 0.00 0.00 177.39 176.70 2ksm s ALA 115 N 7.14 3.12 0.10 1.96 0.00 -1.26 -5.01 121.76 127.81 2ksm s ALA 115 Ca 1.16 -1.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.90 2ksm s ALA 115 Cb -1.14 -0.39 -0.07 0.00 0.00 0.00 0.00 23.12 21.53 2ksm s ALA 115 CO 0.55 0.12 1.29 -1.25 0.00 0.00 0.00 175.76 176.48 2ksm s PRO 116 N -3.67 4.38 0.00 0.00 0.04 -1.26 -2.61 135.00 131.88 2ksm s PRO 116 Ca 0.33 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2ksm s PRO 116 Cb -0.01 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2ksm s PRO 116 CO 0.19 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2ksm n GLY 117 N 3.24 0.89 3.71 0.56 0.00 -1.26 -5.00 105.19 107.34 2ksm n GLY 117 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.56 4.35 -0.19 1.61 0.11 -1.07 -4.99 120.40 116.65 2ksm s VAL 118 Ca 0.00 1.70 -0.07 0.00 -2.93 0.00 0.00 61.98 60.68 2ksm s VAL 118 Cb 0.00 -4.09 -0.03 0.00 -1.53 0.00 0.00 36.38 30.73 2ksm s VAL 118 CO 0.00 0.13 0.04 0.20 -3.33 0.00 0.00 175.10 172.15 2ksm s ASN 119 N 1.02 5.30 -0.11 3.54 0.01 0.13 -4.93 114.94 119.90 2ksm s ASN 119 Ca 0.56 -0.05 -0.05 0.00 -0.71 0.00 0.00 52.86 52.61 2ksm s ASN 119 Cb -0.26 -1.91 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 2ksm s ASN 119 CO 0.29 0.11 0.09 -0.69 -1.51 0.00 0.00 177.10 175.39 2ksm s VAL 120 N 0.72 5.07 -0.51 1.60 1.01 -1.26 -2.81 120.40 124.22 2ksm s VAL 120 Ca 0.02 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.09 2ksm s VAL 120 Cb -0.14 -3.19 0.19 0.00 0.00 0.00 0.00 36.38 33.25 2ksm s VAL 120 CO 0.02 0.61 0.44 -0.38 0.00 0.00 0.00 175.10 175.79 2ksm n ILE 121 N 2.07 -0.04 -4.05 2.22 5.41 -0.51 -4.92 119.36 119.54 2ksm n ILE 121 Ca -0.19 -4.06 -0.33 0.00 1.00 0.00 0.00 62.75 59.16 2ksm n ILE 121 Cb 0.54 -1.88 -0.15 0.00 -0.71 0.00 0.00 39.64 37.44 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 -0.76 4.01 -0.30 4.38 -4.77 -1.26 -2.33 116.67 115.65 2ksm s ASP 122 Ca 0.32 -1.01 0.03 0.00 -3.30 0.00 0.00 52.55 48.59 2ksm s ASP 122 Cb 0.04 -1.57 0.08 0.00 -1.09 0.00 0.00 42.92 40.39 2ksm s ASP 122 CO -0.16 -0.11 -0.02 -1.10 0.70 0.00 0.00 175.17 174.47 2ksm s GLN 123 N 1.23 1.81 -0.04 2.11 -1.52 -0.82 -5.00 119.66 117.42 2ksm s GLN 123 Ca -0.02 -1.60 0.03 0.00 -1.95 0.00 0.00 55.36 51.81 2ksm s GLN 123 Cb -0.17 -3.03 -0.03 0.00 -0.22 0.00 0.00 33.01 29.56 2ksm s GLN 123 CO -0.07 -0.77 -0.10 0.96 -0.25 0.00 0.00 175.29 175.06 2ksm s ILE 124 N 1.02 3.39 0.13 1.08 -0.00 -1.26 -3.91 121.20 121.66 2ksm s ILE 124 Ca 0.02 -0.67 0.09 0.00 -0.00 0.00 0.00 60.65 60.08 2ksm s ILE 124 Cb -0.19 -2.39 -0.04 0.00 -0.00 0.00 0.00 42.46 39.84 2ksm s ILE 124 CO -0.07 0.54 -0.17 -1.00 -0.00 0.00 0.00 174.94 174.24 2ksm s HIS 125 N -0.83 2.52 0.14 1.37 3.76 -1.22 -4.91 115.29 116.13 2ksm s HIS 125 Ca 0.13 -0.27 -0.17 0.00 -0.15 0.00 0.00 55.06 54.60 2ksm s HIS 125 Cb -0.11 -1.31 -0.07 0.00 1.11 0.00 0.00 32.58 32.20 2ksm s HIS 125 CO 0.03 0.42 0.60 0.08 -0.85 0.00 0.00 174.74 175.01 2ksm s VAL 126 N -1.28 4.74 -0.46 -0.90 1.01 -1.26 0.21 120.40 122.46 2ksm s VAL 126 Ca 0.19 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.31 2ksm s VAL 126 Cb -0.10 -3.83 0.20 0.00 0.00 0.00 0.00 36.38 32.66 2ksm s VAL 126 CO 0.11 0.34 0.63 0.47 0.00 0.00 0.00 175.10 176.65 2ksm n ASP 127 N 1.10 -2.01 0.00 3.32 9.92 -0.63 -4.91 116.55 123.34 2ksm n ASP 127 Ca -0.06 -2.82 0.00 0.00 -0.53 0.00 0.00 54.79 51.38 2ksm n ASP 127 Cb 0.51 0.80 0.00 0.00 -0.64 0.00 0.00 41.12 41.79 2ksm n ASP 127 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2ksm n PRO 128 N 2.42 0.00 -0.18 -0.24 -0.02 -1.26 0.18 135.00 135.91 2ksm n PRO 128 Ca 0.20 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 2ksm n PRO 128 Cb 0.55 -1.37 0.16 0.00 -0.02 0.00 0.00 33.50 32.82 2ksm n PRO 128 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2ksm n VAL 129 N -0.59 0.83 -4.31 -1.45 3.14 -1.26 -4.99 118.33 109.70 2ksm n VAL 129 Ca 0.00 -0.92 -0.16 0.00 -2.96 0.00 0.00 64.34 60.30 2ksm n VAL 129 Cb 0.00 0.63 -0.05 0.00 -1.06 0.00 0.00 33.84 33.36 2ksm n VAL 129 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ksm n VAL 130 N 0.73 0.00 -4.07 1.55 0.24 0.13 -5.06 118.33 111.85 2ksm n VAL 130 Ca 0.13 -1.59 -0.10 0.00 -2.04 0.00 0.00 64.34 60.75 2ksm n VAL 130 Cb 0.44 0.60 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 2ksm n VAL 130 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2ksm s ARG 131 N -3.01 1.05 0.22 7.34 0.52 -1.26 -4.80 118.95 119.02 2ksm s ARG 131 Ca 0.16 -1.34 -0.01 0.00 -0.52 0.00 0.00 55.73 54.02 2ksm s ARG 131 Cb 0.01 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.75 2ksm s ARG 131 CO 0.11 -0.34 0.17 0.45 0.02 0.00 0.00 175.30 175.71 2ksm s SER 132 N -3.02 0.35 0.49 0.23 0.15 -1.26 -4.15 113.70 106.49 2ksm s SER 132 Ca 0.22 -1.42 -0.24 0.00 0.70 0.00 0.00 55.95 55.22 2ksm s SER 132 Cb 0.06 0.42 -0.07 0.00 -1.71 0.00 0.00 66.02 64.72 2ksm s SER 132 CO 0.02 -0.89 1.34 -0.22 1.20 0.00 0.00 173.24 174.69 2ksm s LEU 133 N -3.18 4.00 -0.72 3.45 2.96 -1.26 -4.92 118.68 119.01 2ksm s LEU 133 Ca 0.38 2.73 -0.24 0.00 -0.22 0.00 0.00 54.13 56.78 2ksm s LEU 133 Cb 0.06 -4.12 0.05 0.00 0.50 0.00 0.00 46.19 42.69 2ksm s LEU 133 CO 0.14 -1.27 1.12 -1.81 -1.32 0.00 0.00 176.35 173.22 2ksm s ASP 134 N -0.84 6.20 0.00 3.68 1.11 -1.26 -4.84 116.67 120.72 2ksm s ASP 134 Ca 0.65 -0.82 0.23 0.00 0.18 0.00 0.00 52.55 52.79 2ksm s ASP 134 Cb -0.39 -2.48 0.79 0.00 1.07 0.00 0.00 42.92 41.90 2ksm s ASP 134 CO 0.49 -1.60 1.58 2.22 1.18 0.00 0.00 175.17 179.04 2ksm n PHE 135 N 8.42 0.17 -0.63 4.23 1.16 -1.26 -4.34 117.46 125.21 2ksm n PHE 135 Ca 0.01 -0.08 0.50 0.00 -1.87 0.00 0.00 57.45 56.01 2ksm n PHE 135 Cb 0.47 0.00 0.81 0.00 -1.61 0.00 0.00 39.48 39.15 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 2.45 0.00 -0.58 5.98 0.87 -1.91 2.55 113.55 122.92 2ksm h SER 136 Ca 0.00 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.16 2ksm h SER 136 Cb 0.53 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.22 2ksm h SER 136 CO 0.00 0.00 -0.36 -1.20 -0.53 0.00 0.00 176.83 174.74 2ksm n SER 137 N -3.96 4.23 0.07 6.23 7.64 -1.26 -4.60 113.62 121.97 2ksm n SER 137 Ca 0.41 -3.79 0.02 0.00 1.01 0.00 0.00 58.87 56.52 2ksm n SER 137 Cb 1.88 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 64.50 2ksm n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ksm h ALA 138 N 1.69 0.64 0.42 -0.43 0.00 0.42 -3.26 119.26 118.75 2ksm h ALA 138 Ca 0.31 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2ksm h ALA 138 Cb 1.39 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2ksm h ALA 138 CO 0.67 0.72 -0.33 0.93 0.00 0.00 0.00 179.25 181.24 2ksm h GLU 139 N 0.00 -0.72 -0.82 0.00 5.08 -1.79 2.18 114.58 118.50 2ksm h GLU 139 Ca -0.10 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.51 2ksm h GLU 139 Cb 1.45 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 30.74 2ksm h GLU 139 CO 0.04 -0.48 0.21 -1.35 -1.00 0.00 0.00 179.01 176.43 2ksm h PRO 140 N -0.75 0.23 0.17 2.33 0.11 -1.93 0.82 132.00 132.98 2ksm h PRO 140 Ca -0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2ksm h PRO 140 Cb 0.65 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2ksm h PRO 140 CO -0.01 0.15 -0.08 0.28 -0.21 0.00 0.00 178.00 178.13 2ksm h VAL 141 N 0.24 0.00 -1.01 3.15 2.07 -1.22 -2.43 116.25 117.05 2ksm h VAL 141 Ca 0.49 -0.25 0.28 0.00 0.82 0.00 0.00 66.70 68.05 2ksm h VAL 141 Cb 0.93 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.57 2ksm h VAL 141 CO -0.60 0.00 0.59 0.15 0.02 0.00 0.00 177.57 177.73 2ksm h PHE 142 N -0.47 0.97 0.00 1.57 3.57 0.37 2.23 116.94 125.18 2ksm h PHE 142 Ca -0.02 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2ksm h PHE 142 Cb 0.17 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2ksm h PHE 142 CO 0.05 -0.04 -0.15 1.79 -2.23 0.00 0.00 178.31 177.73 2ksm h THR 143 N 0.46 0.83 0.00 4.41 1.35 0.60 0.11 112.91 120.68 2ksm h THR 143 Ca 0.69 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 2ksm h THR 143 Cb 1.44 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 2ksm h THR 143 CO -0.53 0.15 0.00 0.00 -0.25 0.00 0.00 175.52 174.89 2ksm h ALA 144 N 1.85 1.00 -0.21 6.62 0.00 0.42 -2.90 119.26 126.04 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 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 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 -2.88 2.49 -0.13 0.00 2.88 0.02 -4.66 113.62 111.34 2ksm n SER 145 Ca 0.02 -1.82 -0.08 0.00 -1.33 0.00 0.00 58.87 55.66 2ksm n SER 145 Cb 0.38 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 1.75 1.12 0.00 2.46 2.07 -0.66 -2.33 116.25 120.66 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 0.61 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2ksm h VAL 146 CO 0.00 0.11 0.00 -0.81 0.02 0.00 0.00 177.57 176.89 2ksm n PRO 147 N -4.79 0.42 -3.36 1.57 -0.04 -1.26 -3.98 135.00 123.56 2ksm n PRO 147 Ca 0.01 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.25 2ksm n PRO 147 Cb 0.04 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.10 -0.10 -1.53 0.52 1.01 -0.87 -4.98 121.20 114.14 2ksm s ILE 148 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.12 2ksm s ILE 148 Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.60 2ksm s ILE 148 CO 0.00 -0.80 0.73 -0.81 0.00 0.00 0.00 174.94 174.06 2ksm n PRO 149 N 3.83 0.96 -0.82 2.79 -0.04 -1.26 -3.13 135.00 137.33 2ksm n PRO 149 Ca 0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2ksm n PRO 149 Cb 0.44 -1.23 0.18 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.26 2.30 -4.83 3.54 -0.08 -1.09 -0.82 116.55 115.32 2ksm n ASP 150 Ca 0.00 -3.87 -0.23 0.00 -1.51 0.00 0.00 54.79 49.18 2ksm n ASP 150 Cb 0.11 -0.54 -0.04 0.00 2.34 0.00 0.00 41.12 42.99 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 -3.29 3.15 0.01 -0.67 0.40 -0.78 -3.49 117.98 113.31 2ksm s PHE 151 Ca 0.41 -0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.71 2ksm s PHE 151 Cb 0.38 -1.44 -0.01 0.00 0.51 0.00 0.00 43.02 42.46 2ksm s PHE 151 CO -0.04 0.52 -0.14 0.20 0.70 0.00 0.00 175.22 176.46 2ksm s GLY 152 N -3.68 0.70 -0.10 4.36 0.00 -0.56 -2.16 107.32 105.89 2ksm s GLY 152 Ca 0.33 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.39 2ksm s GLY 152 CO 0.25 -0.60 -0.16 1.08 0.00 0.00 0.00 173.10 173.67 2ksm s LEU 153 N -0.64 1.75 -0.05 0.66 2.01 -0.88 -3.02 118.68 118.52 2ksm s LEU 153 Ca 0.04 -0.42 0.00 0.00 0.01 0.00 0.00 54.13 53.76 2ksm s LEU 153 Cb -0.06 -1.07 0.03 0.00 0.01 0.00 0.00 46.19 45.09 2ksm s LEU 153 CO 0.00 0.04 -0.02 -0.75 1.01 0.00 0.00 176.35 176.63 2ksm s LYS 154 N 0.84 0.60 -0.06 1.70 2.36 -0.96 -1.84 119.74 122.37 2ksm s LYS 154 Ca -0.10 0.02 0.05 0.00 -2.55 0.00 0.00 55.97 53.39 2ksm s LYS 154 Cb -0.15 -0.77 -0.02 0.00 -1.05 0.00 0.00 37.83 35.84 2ksm s LYS 154 CO 0.01 -0.17 -0.21 0.08 1.55 0.00 0.00 175.35 176.62 2ksm s VAL 155 N 1.28 2.46 0.00 4.02 1.01 -1.17 -0.22 120.40 127.77 2ksm s VAL 155 Ca -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2ksm s VAL 155 Cb -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2ksm s VAL 155 CO -0.02 0.57 0.00 1.21 0.00 0.00 0.00 175.10 176.86 2ksm n GLU 156 N 2.85 3.93 0.04 2.72 4.07 0.48 -1.58 120.64 133.15 2ksm n GLU 156 Ca -0.17 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.91 2ksm n GLU 156 Cb 0.52 0.00 -0.01 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 -0.12 -0.09 5.31 3.08 -1.77 -3.38 114.38 117.41 2ksm h ARG 157 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ksm h ARG 157 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2ksm h ARG 157 CO 0.00 -0.08 0.00 -0.25 -1.07 0.00 0.00 179.97 178.57 2ksm n ASP 158 N -2.68 2.27 -4.38 7.04 8.00 -1.26 -4.33 116.55 121.21 2ksm n ASP 158 Ca -0.02 -2.04 -0.20 0.00 0.71 0.00 0.00 54.79 53.25 2ksm n ASP 158 Cb 0.05 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 40.97 2ksm n ASP 158 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ksm s THR 159 N -1.08 1.67 -0.04 -3.53 2.01 -1.26 -4.19 115.64 109.22 2ksm s THR 159 Ca 0.07 -2.17 0.01 0.00 0.31 0.00 0.00 61.69 59.91 2ksm s THR 159 Cb 0.04 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.35 2ksm s THR 159 CO 0.04 -0.46 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.81 2ksm s VAL 160 N -3.01 0.33 0.05 3.82 1.01 0.17 -0.39 120.40 122.38 2ksm s VAL 160 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.32 2ksm s VAL 160 Cb 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2ksm s VAL 160 CO 0.09 0.18 -0.20 -0.89 0.00 0.00 0.00 175.10 174.28 2ksm s THR 161 N 1.00 2.64 -0.10 3.92 2.01 0.69 -0.85 115.64 124.95 2ksm s THR 161 Ca -0.10 -1.27 -0.00 0.00 0.31 0.00 0.00 61.69 60.63 2ksm s THR 161 Cb -0.14 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.29 2ksm s THR 161 CO -0.01 0.32 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.94 2ksm s LEU 162 N -1.46 1.23 -0.06 4.42 0.20 -0.03 -2.27 118.68 120.71 2ksm s LEU 162 Ca 0.14 -0.28 -0.02 0.00 0.69 0.00 0.00 54.13 54.65 2ksm s LEU 162 Cb -0.10 -0.80 0.04 0.00 -0.43 0.00 0.00 46.19 44.89 2ksm s LEU 162 CO 0.05 -0.10 0.13 0.42 -0.29 0.00 0.00 176.35 176.56 2ksm s THR 163 N 1.53 -0.08 -0.14 3.68 -4.23 -1.17 -2.22 115.64 113.01 2ksm s THR 163 Ca 0.01 0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 60.51 2ksm s THR 163 Cb -0.13 -0.22 0.06 0.00 1.34 0.00 0.00 72.50 73.55 2ksm s THR 163 CO -0.06 0.09 0.57 -0.83 -0.54 0.00 0.00 174.62 173.85 2ksm s GLY 164 N 1.31 -0.44 -0.21 3.99 0.00 -1.26 -1.50 107.32 109.22 2ksm s GLY 164 Ca -0.07 1.37 -0.29 0.00 0.00 0.00 0.00 44.72 45.73 2ksm s GLY 164 CO -0.05 1.11 1.49 -0.51 0.00 0.00 0.00 173.10 175.14 2ksm s THR 165 N -0.34 3.87 -0.55 0.90 -4.23 -1.23 -4.32 115.64 109.76 2ksm s THR 165 Ca -0.05 1.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.52 2ksm s THR 165 Cb -0.03 -3.82 0.19 0.00 1.34 0.00 0.00 72.50 70.18 2ksm s THR 165 CO 0.04 -0.27 0.48 0.00 -0.54 0.00 0.00 174.62 174.33 2ksm n ALA 166 N 7.78 3.18 0.00 3.99 0.00 -1.24 -4.89 120.51 129.33 2ksm n ALA 166 Ca 0.17 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.71 2ksm n ALA 166 Cb 0.45 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2ksm n ALA 166 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ksm n PRO 167 N 2.02 0.00 0.00 0.00 -0.02 -1.26 -4.27 135.00 131.47 2ksm n PRO 167 Ca 0.25 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2ksm n PRO 167 Cb 0.43 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.96 0.00 0.00 2.55 7.64 -1.26 -4.83 113.62 116.76 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 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2ksm n SER 168 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ksm n SER 169 N 0.00 0.00 0.23 6.43 7.64 -1.26 -4.94 113.62 121.72 2ksm n SER 169 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 2ksm n SER 169 Cb 0.00 0.00 0.65 0.00 -1.01 0.00 0.00 64.21 63.85 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 -0.05 1.43 3.07 -2.00 0.55 114.58 117.57 2ksm h GLU 170 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2ksm h GLU 170 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2ksm h GLU 170 CO 0.00 0.00 0.09 0.45 -1.40 0.00 0.00 179.01 178.15 2ksm h HIS 171 N 0.00 0.00 0.00 4.33 3.86 -1.97 0.13 115.15 121.49 2ksm h HIS 171 Ca 0.09 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.16 2ksm h HIS 171 Cb 1.14 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 2ksm h HIS 171 CO 0.00 0.00 -0.77 1.57 0.86 0.00 0.00 177.93 179.59 2ksm h LYS 172 N 0.00 0.00 -0.58 2.45 2.10 -0.25 -3.32 116.57 116.97 2ksm h LYS 172 Ca 0.02 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.56 2ksm h LYS 172 Cb 0.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.52 2ksm h LYS 172 CO -0.00 0.55 -0.06 0.22 -2.00 0.00 0.00 179.45 178.16 2ksm h ASP 173 N 0.00 1.06 -0.92 7.07 1.82 -0.86 -2.88 116.42 121.71 2ksm h ASP 173 Ca -0.04 -0.33 0.23 0.00 -0.39 0.00 0.00 57.03 56.50 2ksm h ASP 173 Cb 1.50 -0.29 -0.06 0.00 0.68 0.00 0.00 39.33 41.16 2ksm h ASP 173 CO 0.07 1.13 0.62 0.00 -1.61 0.00 0.00 179.24 179.46 2ksm h ALA 174 N 0.96 2.44 -0.26 -0.78 0.00 -1.64 0.25 119.26 120.23 2ksm h ALA 174 Ca 0.16 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2ksm h ALA 174 Cb 0.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2ksm h ALA 174 CO 0.04 -0.73 -0.46 0.28 0.00 0.00 0.00 179.25 178.38 2ksm h VAL 175 N 0.26 1.30 -0.11 0.00 2.07 -1.70 -2.21 116.25 115.86 2ksm h VAL 175 Ca 0.47 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 2ksm h VAL 175 Cb 1.41 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2ksm h VAL 175 CO -0.13 0.53 -0.11 0.50 0.02 0.00 0.00 177.57 178.37 2ksm h LYS 176 N 0.54 0.27 -0.22 1.57 3.64 -0.60 -2.53 116.57 119.24 2ksm h LYS 176 Ca 0.03 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2ksm h LYS 176 Cb 1.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2ksm h LYS 176 CO 0.09 0.69 0.12 0.00 -2.27 0.00 0.00 179.45 178.08 2ksm h ARG 177 N -0.13 0.25 -0.96 1.90 3.08 -1.23 0.15 114.38 117.44 2ksm h ARG 177 Ca 0.02 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2ksm h ARG 177 Cb 0.64 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.56 2ksm h ARG 177 CO 0.03 0.16 0.60 0.00 -1.07 0.00 0.00 179.97 179.69 2ksm h ALA 178 N 1.11 1.37 -0.12 0.04 0.00 -1.43 -2.04 119.26 118.19 2ksm h ALA 178 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2ksm h ALA 178 Cb 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2ksm h ALA 178 CO -0.05 0.29 -0.16 0.00 0.00 0.00 0.00 179.25 179.33 2ksm h ALA 179 N 1.48 0.18 -0.56 0.00 0.00 -0.95 -2.99 119.26 116.42 2ksm h ALA 179 Ca 0.44 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2ksm h ALA 179 Cb 0.31 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2ksm h ALA 179 CO -0.22 0.08 -0.01 1.79 0.00 0.00 0.00 179.25 180.89 2ksm h THR 180 N -0.08 0.54 -0.05 0.00 1.35 -0.17 0.33 112.91 114.83 2ksm h THR 180 Ca 0.01 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 2ksm h THR 180 Cb 0.71 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 2ksm h THR 180 CO 0.04 0.02 -0.07 0.77 -0.25 0.00 0.00 175.52 176.02 2ksm h SER 181 N 0.10 0.07 0.74 5.36 4.64 -1.42 0.35 113.55 123.40 2ksm h SER 181 Ca 0.29 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.40 2ksm h SER 181 Cb 0.45 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2ksm h SER 181 CO -0.48 0.15 -0.90 0.74 -0.87 0.00 0.00 176.83 175.47 2ksm h THR 182 N 0.07 1.57 -2.02 2.95 2.02 -0.40 -3.38 112.91 113.72 2ksm h THR 182 Ca 0.02 -2.85 -0.54 0.00 0.77 0.00 0.00 66.41 63.80 2ksm h THR 182 Cb 0.18 2.58 -0.40 0.00 -1.74 0.00 0.00 68.15 68.78 2ksm h THR 182 CO 0.01 0.82 -1.09 0.79 0.37 0.00 0.00 175.52 176.42 2ksm n TRP 183 N -3.56 0.12 0.08 3.16 8.01 0.82 -4.96 117.44 121.09 2ksm n TRP 183 Ca -0.02 -3.68 -0.20 0.00 -1.31 0.00 0.00 57.50 52.30 2ksm n TRP 183 Cb 0.84 -0.38 -0.11 0.00 -2.01 0.00 0.00 31.31 29.64 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 3.71 0.58 -0.00 -0.99 0.13 -0.52 -3.22 132.00 131.68 2ksm h PRO 184 Ca 0.09 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2ksm h PRO 184 Cb 0.88 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2ksm h PRO 184 CO 0.50 1.30 -0.04 -0.25 -0.23 0.00 0.00 178.00 179.28 2ksm n ASP 185 N -3.78 0.51 -4.47 1.44 8.00 -1.26 -4.72 116.55 112.27 2ksm n ASP 185 Ca -0.11 -0.89 -0.37 0.00 0.71 0.00 0.00 54.79 54.13 2ksm n ASP 185 Cb 0.94 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.87 2ksm n ASP 185 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2ksm s MET 186 N -2.22 3.69 -0.46 -1.24 -1.94 -1.22 -5.02 119.30 110.90 2ksm s MET 186 Ca 0.37 -0.46 -0.42 0.00 -1.71 0.00 0.00 55.69 53.48 2ksm s MET 186 Cb 0.21 -3.38 -0.17 0.00 2.01 0.00 0.00 34.83 33.50 2ksm s MET 186 CO 0.41 -0.19 2.13 1.63 -0.01 0.00 0.00 175.02 178.99 2ksm n LYS 187 N 4.94 0.29 -4.08 2.03 4.01 -1.26 -4.75 118.16 119.34 2ksm n LYS 187 Ca -0.16 0.08 -0.34 0.00 -0.51 0.00 0.00 58.31 57.38 2ksm n LYS 187 Cb 0.51 -1.75 -0.15 0.00 -0.51 0.00 0.00 35.03 33.14 2ksm n LYS 187 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ksm s ILE 188 N 6.19 3.00 -0.30 -0.18 -1.09 -1.26 0.44 121.20 128.01 2ksm s ILE 188 Ca 1.17 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 58.99 2ksm s ILE 188 Cb -1.33 -2.33 0.08 0.00 -1.58 0.00 0.00 42.46 37.30 2ksm s ILE 188 CO 0.62 0.47 -0.02 0.68 -1.23 0.00 0.00 174.94 175.46 2ksm s VAL 189 N 1.27 2.20 -0.55 2.92 -7.23 -0.03 -5.01 120.40 113.98 2ksm s VAL 189 Ca 0.03 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.11 2ksm s VAL 189 Cb -0.14 -2.49 0.14 0.00 0.56 0.00 0.00 36.38 34.45 2ksm s VAL 189 CO -0.04 -0.35 0.41 0.20 -0.31 0.00 0.00 175.10 175.00 2ksm s ASN 190 N 1.00 5.66 -0.66 4.85 0.01 -1.26 -0.85 114.94 123.69 2ksm s ASN 190 Ca 0.02 -2.28 -0.02 0.00 -0.71 0.00 0.00 52.86 49.87 2ksm s ASN 190 Cb -0.19 -1.97 0.17 0.00 0.41 0.00 0.00 41.25 39.66 2ksm s ASN 190 CO -0.07 -0.57 0.48 0.54 -1.51 0.00 0.00 177.10 175.97 2ksm s ASN 191 N 1.96 5.24 0.19 -1.22 4.22 -0.94 -4.98 114.94 119.41 2ksm s ASN 191 Ca 0.11 -3.04 -0.11 0.00 -2.14 0.00 0.00 52.86 47.68 2ksm s ASN 191 Cb -0.22 -1.84 -0.07 0.00 1.28 0.00 0.00 41.25 40.40 2ksm s ASN 191 CO -0.03 -0.32 0.53 -0.63 -2.04 0.00 0.00 177.10 174.62 2ksm s ILE 192 N -0.34 4.93 0.40 0.54 1.01 -1.26 -4.72 121.20 121.76 2ksm s ILE 192 Ca 0.19 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.47 2ksm s ILE 192 Cb -0.18 -3.65 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 2ksm s ILE 192 CO -0.05 0.05 0.06 -1.61 0.00 0.00 0.00 174.94 173.39 2ksm s GLU 193 N -2.50 2.04 -0.19 2.79 2.02 -1.26 -5.05 118.70 116.55 2ksm s GLU 193 Ca 0.43 -1.98 -0.01 0.00 0.02 0.00 0.00 54.97 53.43 2ksm s GLU 193 Cb -0.12 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.33 2ksm s GLU 193 CO 0.20 -0.04 -0.12 0.14 0.02 0.00 0.00 175.26 175.46 2ksm s VAL 194 N -2.65 2.74 -0.82 2.63 -7.23 -1.26 -3.61 120.40 110.20 2ksm s VAL 194 Ca 0.37 -0.72 -0.23 0.00 -1.81 0.00 0.00 61.98 59.59 2ksm s VAL 194 Cb 0.07 -2.20 -0.18 0.00 0.56 0.00 0.00 36.38 34.63 2ksm s VAL 194 CO 0.19 0.49 2.37 0.35 -0.31 0.00 0.00 175.10 178.19 2ksm n THR 195 N 4.55 -0.00 0.00 5.32 -2.24 -1.26 -3.94 114.28 116.70 2ksm n THR 195 Ca -0.19 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2ksm n THR 195 Cb 0.51 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 2ksm n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ksm n GLY 196 N 6.52 -1.91 3.73 3.38 0.00 -1.26 -4.97 105.19 110.69 2ksm n GLY 196 Ca 0.51 0.54 -0.42 0.00 0.00 0.00 0.00 46.02 46.65 2ksm n GLY 196 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ksm n GLN 197 N -1.56 2.63 -0.84 1.61 3.00 -1.25 -4.95 117.38 116.02 2ksm n GLN 197 Ca 0.00 0.94 -0.31 0.00 -0.01 0.00 0.00 57.00 57.62 2ksm n GLN 197 Cb 0.00 -2.71 0.16 0.00 0.00 0.00 0.00 30.24 27.68 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 0.11 1.47 0.79 -1.58 0.00 -1.26 -4.99 121.76 116.30 2ksm s ALA 198 Ca 0.66 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 2ksm s ALA 198 Cb -0.52 -3.38 0.07 0.00 0.00 0.00 0.00 23.12 19.29 2ksm s ALA 198 CO 0.47 -2.62 1.09 -1.25 0.00 0.00 0.00 175.76 173.45 2ksm s PRO 199 N -4.71 2.12 0.11 0.00 0.04 -1.26 -4.82 135.00 126.47 2ksm s PRO 199 Ca 0.65 1.00 0.01 0.00 0.04 0.00 0.00 61.00 62.71 2ksm s PRO 199 Cb -0.21 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.51 2ksm s PRO 199 CO 0.58 -1.69 0.70 -2.30 0.04 0.00 0.00 177.00 174.33 2ksm n PRO 200 N -3.53 0.01 0.00 0.56 -0.02 -1.26 -4.85 135.00 125.90 2ksm n PRO 200 Ca 0.08 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2ksm n PRO 200 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 -1.47 0.25 -1.23 0.00 -1.26 -4.64 105.19 95.70 2ksm n GLY 201 Ca -0.00 -2.09 -0.01 0.00 0.00 0.00 0.00 46.02 43.92 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 0.96 0.60 -0.01 1.61 0.11 -2.05 -3.55 132.00 129.67 2ksm h PRO 202 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2ksm h PRO 202 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 2ksm h PRO 202 CO 0.00 0.40 0.00 -0.35 -0.21 0.00 0.00 178.00 177.84