#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksm s LEU 41 N 0.00 2.92 -0.22 3.14 1.43 0.17 -0.82 118.68 125.31 3ksm s LEU 41 Ca 0.00 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 3ksm s LEU 41 Cb 0.00 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3ksm s LEU 41 CO 0.00 0.16 0.35 -0.22 0.23 0.00 0.00 176.35 176.87 3ksm s LEU 42 N 0.42 4.13 -0.22 1.79 2.96 -0.38 -0.30 118.68 127.08 3ksm s LEU 42 Ca -0.07 0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 3ksm s LEU 42 Cb -0.15 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.12 3ksm s LEU 42 CO 0.04 -0.07 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.70 3ksm s LEU 43 N 1.38 2.84 -0.28 -0.68 2.96 0.04 -0.07 118.68 124.87 3ksm s LEU 43 Ca 0.16 -0.65 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3ksm s LEU 43 Cb -0.15 -1.65 0.07 0.00 0.50 0.00 0.00 46.19 44.97 3ksm s LEU 43 CO 0.08 -0.06 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.31 3ksm s VAL 44 N 1.37 2.07 0.41 1.68 1.01 0.01 -0.97 120.40 125.97 3ksm s VAL 44 Ca 0.03 -1.78 0.02 0.00 0.00 0.00 0.00 61.98 60.25 3ksm s VAL 44 Cb -0.15 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 34.00 3ksm s VAL 44 CO -0.06 -0.22 0.56 0.18 0.00 0.00 0.00 175.10 175.56 3ksm n LEU 45 N 4.43 0.00 0.14 3.92 4.77 -1.26 -0.70 117.00 128.29 3ksm n LEU 45 Ca -0.08 -1.33 -0.00 0.00 -0.03 0.00 0.00 56.01 54.57 3ksm n LEU 45 Cb 0.42 -0.35 0.16 0.00 -2.33 0.00 0.00 43.42 41.33 3ksm n LEU 45 CO 0.21 -0.74 0.49 0.11 -1.33 0.00 0.00 177.39 176.13 3ksm h LYS 46 N 0.00 0.00 0.00 3.23 1.57 -1.95 -3.41 116.57 116.01 3ksm h LYS 46 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3ksm h LYS 46 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3ksm h LYS 46 CO 0.22 0.61 0.00 0.41 -0.57 0.00 0.00 179.45 180.11 3ksm n GLY 47 N 0.43 -0.49 1.03 3.86 0.00 -1.26 -3.83 105.19 104.93 3ksm n GLY 47 Ca -0.01 -1.10 0.05 0.00 0.00 0.00 0.00 46.02 44.96 3ksm n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ksm n ASP 48 N 0.00 1.44 -0.08 1.61 2.03 -0.18 -4.78 116.55 116.59 3ksm n ASP 48 Ca 0.00 -3.06 0.14 0.00 0.52 0.00 0.00 54.79 52.39 3ksm n ASP 48 Cb 0.00 -0.43 0.67 0.00 -0.72 0.00 0.00 41.12 40.65 3ksm n ASP 48 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3ksm n SER 49 N -0.41 0.33 -3.89 1.67 7.64 -1.25 -4.79 113.62 112.92 3ksm n SER 49 Ca 0.14 -0.51 -0.15 0.00 1.01 0.00 0.00 58.87 59.36 3ksm n SER 49 Cb 0.89 -0.12 -0.15 0.00 -1.01 0.00 0.00 64.21 63.83 3ksm n SER 49 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3ksm s ASN 50 N -2.45 0.35 0.54 6.43 0.01 -1.26 -4.85 114.94 113.70 3ksm s ASN 50 Ca 0.30 -0.04 0.26 0.00 -0.71 0.00 0.00 52.86 52.67 3ksm s ASN 50 Cb 0.20 -0.08 1.51 0.00 0.41 0.00 0.00 41.25 43.29 3ksm s ASN 50 CO 0.46 -0.00 2.12 0.00 -1.51 0.00 0.00 177.10 178.17 3ksm h ALA 51 N 6.39 1.41 -0.99 0.60 0.00 -1.97 -2.73 119.26 121.98 3ksm h ALA 51 Ca -0.31 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 54.81 3ksm h ALA 51 Cb 1.18 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 3ksm h ALA 51 CO 0.50 0.11 0.07 -0.92 0.00 0.00 0.00 179.25 179.00 3ksm h TYR 52 N 0.00 0.02 0.00 0.00 3.20 -1.96 -1.89 116.97 116.34 3ksm h TYR 52 Ca -0.00 0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 3ksm h TYR 52 Cb 0.22 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3ksm h TYR 52 CO 0.00 -0.43 -0.29 -1.49 -1.64 0.00 0.00 178.16 174.30 3ksm h TRP 53 N 0.01 0.00 -0.68 -3.82 4.06 -1.83 -1.63 115.95 112.06 3ksm h TRP 53 Ca 0.62 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.53 3ksm h TRP 53 Cb 1.30 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.43 3ksm h TRP 53 CO -0.46 0.29 0.29 -0.09 -3.56 0.00 0.00 178.44 174.91 3ksm h ARG 54 N 0.00 0.99 -0.39 0.49 9.65 -1.55 0.08 114.38 123.65 3ksm h ARG 54 Ca -0.00 -0.16 -0.14 0.00 -1.10 0.00 0.00 59.98 58.58 3ksm h ARG 54 Cb 0.59 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 3ksm h ARG 54 CO 0.04 0.80 -0.31 1.96 2.80 0.00 0.00 179.97 185.26 3ksm h GLN 55 N 0.98 0.87 -0.23 0.20 1.08 -1.34 0.40 115.11 117.06 3ksm h GLN 55 Ca 0.23 -0.41 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 3ksm h GLN 55 Cb 0.16 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3ksm h GLN 55 CO -0.02 1.05 0.11 0.28 -0.95 0.00 0.00 178.83 179.30 3ksm h VAL 56 N 0.73 1.14 -0.27 -0.54 2.07 -1.24 -2.34 116.25 115.81 3ksm h VAL 56 Ca 0.08 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3ksm h VAL 56 Cb 0.87 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3ksm h VAL 56 CO 0.08 0.14 0.08 0.22 0.02 0.00 0.00 177.57 178.11 3ksm h TYR 57 N 0.24 0.14 -0.85 1.57 3.20 -0.85 -1.09 116.97 119.34 3ksm h TYR 57 Ca 0.08 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3ksm h TYR 57 Cb 0.13 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 3ksm h TYR 57 CO -0.02 0.06 0.54 -0.07 -1.64 0.00 0.00 178.16 177.03 3ksm h LEU 58 N 0.20 0.89 -0.44 2.82 3.38 -0.78 0.19 115.31 121.56 3ksm h LEU 58 Ca 0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ksm h LEU 58 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ksm h LEU 58 CO -0.14 0.61 0.17 1.23 0.09 0.00 0.00 178.44 180.40 3ksm h GLY 59 N 1.04 0.72 1.00 0.83 0.00 -1.16 -1.28 103.07 104.22 3ksm h GLY 59 Ca 0.35 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ksm h GLY 59 CO -0.13 0.37 0.34 0.00 0.00 0.00 0.00 176.54 177.13 3ksm h ALA 60 N 1.02 0.68 -0.71 3.60 0.00 -0.32 -2.18 119.26 121.34 3ksm h ALA 60 Ca 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ksm h ALA 60 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3ksm h ALA 60 CO -0.01 0.13 0.21 0.37 0.00 0.00 0.00 179.25 179.95 3ksm h GLN 61 N 0.72 1.12 0.04 0.00 5.75 -0.54 0.05 115.11 122.25 3ksm h GLN 61 Ca 0.19 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3ksm h GLN 61 Cb -0.06 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.33 3ksm h GLN 61 CO -0.04 0.97 -0.02 -0.22 -2.65 0.00 0.00 178.83 176.87 3ksm h LYS 62 N 1.06 -0.05 -0.68 1.69 3.64 -1.03 0.11 116.57 121.31 3ksm h LYS 62 Ca 0.23 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 3ksm h LYS 62 Cb 0.32 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3ksm h LYS 62 CO -0.00 -0.02 0.42 0.00 -2.27 0.00 0.00 179.45 177.57 3ksm h ALA 63 N 0.90 0.90 -0.41 5.00 0.00 -1.26 -0.29 119.26 124.10 3ksm h ALA 63 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ksm h ALA 63 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ksm h ALA 63 CO 0.01 0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.57 3ksm h ALA 64 N 1.31 0.54 -0.52 0.00 0.00 -0.74 -1.44 119.26 118.41 3ksm h ALA 64 Ca 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ksm h ALA 64 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ksm h ALA 64 CO -0.12 0.16 0.32 -0.44 0.00 0.00 0.00 179.25 179.17 3ksm h ASP 65 N 0.52 0.61 0.15 0.00 3.32 -0.55 0.16 116.42 120.63 3ksm h ASP 65 Ca 0.14 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3ksm h ASP 65 Cb 0.23 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3ksm h ASP 65 CO -0.01 0.48 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.45 3ksm h GLU 66 N 0.69 0.14 -0.00 3.56 5.08 -0.96 -2.45 114.58 120.63 3ksm h GLU 66 Ca 0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ksm h GLU 66 Cb -0.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ksm h GLU 66 CO -0.04 0.35 -0.49 0.00 -1.00 0.00 0.00 179.01 177.83 3ksm n ALA 67 N -2.49 3.55 -3.16 3.43 0.00 -0.55 -4.98 120.51 116.31 3ksm n ALA 67 Ca -0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.90 3ksm n ALA 67 Cb 0.31 -1.09 0.05 0.00 0.00 0.00 0.00 19.45 18.72 3ksm n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksm n GLY 68 N 1.47 -0.02 3.39 0.00 0.00 0.40 -5.03 105.19 105.39 3ksm n GLY 68 Ca 0.07 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3ksm n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksm s VAL 69 N -3.21 2.11 -0.08 1.61 -7.23 -0.21 -5.03 120.40 108.35 3ksm s VAL 69 Ca 0.32 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.17 3ksm s VAL 69 Cb -0.14 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 3ksm s VAL 69 CO 0.47 -0.27 0.87 -0.89 -0.31 0.00 0.00 175.10 174.96 3ksm s THR 70 N -2.04 4.91 -0.19 5.32 2.01 -1.26 -4.40 115.64 119.99 3ksm s THR 70 Ca 0.20 1.77 -0.03 0.00 0.31 0.00 0.00 61.69 63.94 3ksm s THR 70 Cb -0.06 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 3ksm s THR 70 CO 0.09 0.12 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.86 3ksm s LEU 71 N 1.44 2.90 -0.40 4.42 2.96 -1.26 -0.66 118.68 128.08 3ksm s LEU 71 Ca 0.44 -0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 3ksm s LEU 71 Cb -0.18 -1.72 0.05 0.00 0.50 0.00 0.00 46.19 44.84 3ksm s LEU 71 CO 0.19 0.04 0.26 -0.76 -1.32 0.00 0.00 176.35 174.76 3ksm s LEU 72 N 1.10 5.01 -0.25 -0.68 1.43 0.59 -4.97 118.68 120.91 3ksm s LEU 72 Ca 0.01 -1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 51.76 3ksm s LEU 72 Cb -0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3ksm s LEU 72 CO -0.01 -0.48 0.40 -2.28 0.23 0.00 0.00 176.35 174.21 3ksm s HIS 73 N 1.53 3.28 -0.26 0.29 5.65 -1.26 -0.78 115.29 123.74 3ksm s HIS 73 Ca 0.03 0.49 -0.03 0.00 0.25 0.00 0.00 55.06 55.79 3ksm s HIS 73 Cb -0.21 -2.58 0.09 0.00 -1.18 0.00 0.00 32.58 28.70 3ksm s HIS 73 CO 0.05 -0.18 0.10 1.03 -0.65 0.00 0.00 174.74 175.10 3ksm s ARG 74 N 1.91 0.35 0.20 2.88 1.81 -0.15 -4.97 118.95 120.98 3ksm s ARG 74 Ca 0.17 -0.57 0.07 0.00 -1.72 0.00 0.00 55.73 53.69 3ksm s ARG 74 Cb -0.15 -1.58 -0.05 0.00 -0.45 0.00 0.00 34.95 32.72 3ksm s ARG 74 CO 0.09 -0.91 -0.14 -1.12 -0.68 0.00 0.00 175.30 172.55 3ksm s SER 75 N 1.97 2.52 0.89 0.23 0.01 -1.26 -4.25 113.70 113.81 3ksm s SER 75 Ca 0.07 -1.02 -0.11 0.00 1.31 0.00 0.00 55.95 56.19 3ksm s SER 75 Cb -0.16 -0.13 0.13 0.00 0.21 0.00 0.00 66.02 66.07 3ksm s SER 75 CO -0.26 -0.19 1.09 0.42 0.41 0.00 0.00 173.24 174.72 3ksm s THR 76 N -3.00 2.68 0.09 1.44 -4.23 -1.26 -4.96 115.64 106.40 3ksm s THR 76 Ca 0.22 0.22 -0.19 0.00 -1.18 0.00 0.00 61.69 60.77 3ksm s THR 76 Cb -0.00 -2.60 -0.07 0.00 1.34 0.00 0.00 72.50 71.16 3ksm s THR 76 CO 0.07 -0.29 1.57 0.50 -0.54 0.00 0.00 174.62 175.92 3ksm h LYS 77 N -1.59 0.42 -5.99 3.99 3.64 -1.93 -3.19 116.57 111.92 3ksm h LYS 77 Ca -0.48 -0.11 -0.67 0.00 -1.27 0.00 0.00 60.65 58.11 3ksm h LYS 77 Cb 1.27 -0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.90 3ksm h LYS 77 CO 0.51 0.55 -0.61 -0.51 -2.27 0.00 0.00 179.45 177.12 3ksm s ASP 78 N -5.85 5.31 0.58 4.20 1.01 -1.26 -1.01 116.67 119.65 3ksm s ASP 78 Ca -0.14 0.13 -0.20 0.00 0.71 0.00 0.00 52.55 53.05 3ksm s ASP 78 Cb 0.08 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.48 3ksm s ASP 78 CO 0.74 0.35 1.34 -1.81 0.21 0.00 0.00 175.17 176.00 3ksm s ASP 79 N -1.09 5.02 0.00 0.27 1.11 -1.25 -3.13 116.67 117.60 3ksm s ASP 79 Ca 0.15 2.73 0.00 0.00 0.18 0.00 0.00 52.55 55.61 3ksm s ASP 79 Cb -0.11 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.25 3ksm s ASP 79 CO 0.05 -1.73 0.00 0.61 1.18 0.00 0.00 175.17 175.27 3ksm n GLY 80 N 0.79 0.96 3.56 0.21 0.00 -1.25 -4.89 105.19 104.58 3ksm n GLY 80 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3ksm n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ksm s ASP 81 N -3.04 6.78 0.11 1.61 -1.08 -1.18 -4.81 116.67 115.06 3ksm s ASP 81 Ca 0.00 -2.27 -0.18 0.00 -0.52 0.00 0.00 52.55 49.57 3ksm s ASP 81 Cb 0.00 -2.56 -0.06 0.00 -1.46 0.00 0.00 42.92 38.85 3ksm s ASP 81 CO 0.00 -1.20 1.66 0.40 0.52 0.00 0.00 175.17 176.55 3ksm h ILE 82 N 5.76 1.17 -0.77 4.11 2.04 -1.92 -2.36 117.51 125.54 3ksm h ILE 82 Ca 0.38 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3ksm h ILE 82 Cb 0.90 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3ksm h ILE 82 CO 1.42 0.17 0.30 0.00 0.00 0.00 0.00 178.15 180.05 3ksm h ALA 83 N 0.96 1.09 -0.60 1.87 0.00 -2.00 -1.45 119.26 119.12 3ksm h ALA 83 Ca 0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3ksm h ALA 83 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ksm h ALA 83 CO -0.01 0.65 0.06 0.78 0.00 0.00 0.00 179.25 180.73 3ksm h GLY 84 N 1.14 1.08 1.28 0.00 0.00 -1.95 -1.72 103.07 102.90 3ksm h GLY 84 Ca 0.26 -0.73 -0.17 0.00 0.00 0.00 0.00 47.33 46.69 3ksm h GLY 84 CO -0.02 0.67 -0.52 -1.61 0.00 0.00 0.00 176.54 175.06 3ksm h GLN 85 N 0.94 0.76 -0.59 4.80 4.15 -0.96 -2.37 115.11 121.84 3ksm h GLN 85 Ca 0.18 -0.46 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 3ksm h GLN 85 Cb 0.45 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 3ksm h GLN 85 CO 0.02 1.09 0.30 0.82 -1.93 0.00 0.00 178.83 179.13 3ksm h ILE 86 N 0.59 1.21 -0.45 2.39 2.04 -1.15 -2.18 117.51 119.96 3ksm h ILE 86 Ca 0.02 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.38 3ksm h ILE 86 Cb 1.10 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 3ksm h ILE 86 CO 0.11 0.23 0.13 1.56 0.00 0.00 0.00 178.15 180.19 3ksm h GLN 87 N 0.81 0.28 -0.49 2.37 4.20 -1.16 -0.18 115.11 120.94 3ksm h GLN 87 Ca 0.21 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.94 3ksm h GLN 87 Cb 0.09 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 3ksm h GLN 87 CO -0.03 0.19 0.26 0.82 -0.67 0.00 0.00 178.83 179.40 3ksm h ILE 88 N 0.29 0.98 -0.46 2.54 2.04 -1.21 0.05 117.51 121.74 3ksm h ILE 88 Ca 0.21 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 3ksm h ILE 88 Cb 0.23 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3ksm h ILE 88 CO -0.24 0.09 0.14 -0.07 0.00 0.00 0.00 178.15 178.08 3ksm h LEU 89 N 0.51 0.67 -0.35 1.44 3.38 -0.98 -2.36 115.31 117.63 3ksm h LEU 89 Ca 0.21 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ksm h LEU 89 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3ksm h LEU 89 CO -0.13 0.70 0.21 0.28 0.09 0.00 0.00 178.44 179.58 3ksm h SER 90 N 0.61 0.35 -0.10 -0.43 0.02 -0.80 -2.28 113.55 110.91 3ksm h SER 90 Ca 0.15 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3ksm h SER 90 Cb 0.27 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3ksm h SER 90 CO -0.00 0.25 -0.11 0.22 -1.14 0.00 0.00 176.83 176.05 3ksm h TYR 91 N 0.43 -0.28 0.00 3.45 3.20 -0.88 -2.42 116.97 120.47 3ksm h TYR 91 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3ksm h TYR 91 Cb -0.02 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3ksm h TYR 91 CO -0.07 -0.17 -0.11 0.45 -1.64 0.00 0.00 178.16 176.62 3ksm h HIS 92 N -0.15 0.00 -0.00 -3.82 3.86 -1.33 -1.74 115.15 111.97 3ksm h HIS 92 Ca 0.07 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.09 3ksm h HIS 92 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3ksm h HIS 92 CO -0.22 0.11 -0.85 1.25 0.86 0.00 0.00 177.93 179.08 3ksm h LEU 93 N 0.00 0.23 -0.29 2.43 5.85 -1.19 -3.21 115.31 119.13 3ksm h LEU 93 Ca -0.00 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 3ksm h LEU 93 Cb 0.49 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3ksm h LEU 93 CO 0.01 0.97 -0.68 -1.28 -0.34 0.00 0.00 178.44 177.13 3ksm h SER 94 N 0.10 0.00 -2.32 1.25 0.87 -0.85 -3.39 113.55 109.21 3ksm h SER 94 Ca -0.04 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.96 3ksm h SER 94 Cb 1.47 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 63.06 3ksm h SER 94 CO 0.13 0.68 -0.93 -1.10 -0.53 0.00 0.00 176.83 175.08 3ksm s GLN 95 N -3.08 0.85 0.00 2.24 -1.52 -0.80 -5.11 119.66 112.23 3ksm s GLN 95 Ca 0.01 -1.92 0.00 0.00 -1.95 0.00 0.00 55.36 51.50 3ksm s GLN 95 Cb 0.10 -1.31 0.00 0.00 -0.22 0.00 0.00 33.01 31.57 3ksm s GLN 95 CO 0.76 -1.36 0.00 0.00 -0.25 0.00 0.00 175.29 174.45 3ksm n ALA 96 N 3.05 0.00 -1.93 6.09 0.00 -1.21 -4.65 120.51 121.86 3ksm n ALA 96 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 3ksm n ALA 96 Cb 0.47 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.98 3ksm n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ksm s PRO 98 N -0.51 2.51 0.31 0.00 0.04 -1.26 -4.94 135.00 131.14 3ksm s PRO 98 Ca 0.00 0.19 0.16 0.00 0.04 0.00 0.00 61.00 61.39 3ksm s PRO 98 Cb 0.00 -2.06 0.21 0.00 0.04 0.00 0.00 34.50 32.69 3ksm s PRO 98 CO 0.00 -1.18 1.51 -0.44 0.04 0.00 0.00 177.00 176.93 3ksm h ASP 99 N -0.70 0.00 -5.02 6.66 3.32 -1.38 -3.47 116.42 115.84 3ksm h ASP 99 Ca -0.45 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 3ksm h ASP 99 Cb 1.29 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.68 3ksm h ASP 99 CO 0.64 0.44 0.10 0.00 -1.72 0.00 0.00 179.24 178.70 3ksm s ALA 100 N -3.09 -1.43 -0.14 3.45 0.00 -1.22 -4.25 121.76 115.07 3ksm s ALA 100 Ca 0.03 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3ksm s ALA 100 Cb 0.08 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 3ksm s ALA 100 CO 0.73 -0.57 -0.14 -1.17 0.00 0.00 0.00 175.76 174.60 3ksm s LEU 101 N -2.15 2.58 -0.25 0.00 2.96 -0.62 -1.25 118.68 119.96 3ksm s LEU 101 Ca -0.04 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 3ksm s LEU 101 Cb -0.00 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 3ksm s LEU 101 CO -0.04 0.12 0.02 -0.63 -1.32 0.00 0.00 176.35 174.50 3ksm s ILE 102 N 0.61 3.83 -0.06 6.68 1.01 0.90 -0.70 121.20 133.47 3ksm s ILE 102 Ca -0.08 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.19 3ksm s ILE 102 Cb -0.16 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.50 3ksm s ILE 102 CO 0.03 0.32 -0.19 -0.22 0.00 0.00 0.00 174.94 174.88 3ksm s LEU 103 N 1.53 1.94 -0.53 2.97 2.96 -0.42 -0.81 118.68 126.33 3ksm s LEU 103 Ca 0.05 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 3ksm s LEU 103 Cb -0.15 -1.12 0.14 0.00 0.50 0.00 0.00 46.19 45.55 3ksm s LEU 103 CO 0.00 0.16 0.40 0.00 -1.32 0.00 0.00 176.35 175.59 3ksm s ALA 104 N 0.14 3.48 0.11 5.97 0.00 0.12 -0.55 121.76 131.02 3ksm s ALA 104 Ca -0.08 -2.75 -0.30 0.00 0.00 0.00 0.00 51.96 48.82 3ksm s ALA 104 Cb -0.14 -2.83 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 3ksm s ALA 104 CO 0.04 -1.97 1.16 -1.25 0.00 0.00 0.00 175.76 173.74 3ksm s PRO 105 N 0.96 4.49 0.58 0.00 0.04 -1.26 -3.76 135.00 136.06 3ksm s PRO 105 Ca 0.09 1.75 0.33 0.00 0.04 0.00 0.00 61.00 63.22 3ksm s PRO 105 Cb -0.23 -3.32 1.81 0.00 0.04 0.00 0.00 34.50 32.80 3ksm s PRO 105 CO -0.02 -0.13 2.20 -0.91 0.04 0.00 0.00 177.00 178.18 3ksm h ASN 106 N 6.10 0.00 -3.53 6.66 2.35 -1.92 -3.42 115.58 121.82 3ksm h ASN 106 Ca -0.43 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.04 3ksm h ASN 106 Cb 1.21 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 39.26 3ksm h ASN 106 CO 0.77 0.04 -0.70 -0.55 -1.65 0.00 0.00 177.43 175.35 3ksm s SER 107 N -5.88 0.02 0.32 5.81 0.15 -1.26 -4.36 113.70 108.50 3ksm s SER 107 Ca -0.04 0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.76 3ksm s SER 107 Cb 0.13 0.00 0.55 0.00 -1.71 0.00 0.00 66.02 65.00 3ksm s SER 107 CO 0.53 -0.12 1.81 0.00 1.20 0.00 0.00 173.24 176.65 3ksm h ALA 108 N 7.14 1.27 0.06 5.45 0.00 -1.43 -3.09 119.26 128.66 3ksm h ALA 108 Ca -0.43 -0.28 -0.37 0.00 0.00 0.00 0.00 54.91 53.83 3ksm h ALA 108 Cb 1.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3ksm h ALA 108 CO 0.47 0.48 -2.18 0.39 0.00 0.00 0.00 179.25 178.41 3ksm n GLU 109 N -4.19 0.70 0.27 0.00 -0.58 -1.26 -0.37 120.64 115.20 3ksm n GLU 109 Ca 0.00 0.23 0.17 0.00 -0.42 0.00 0.00 57.16 57.14 3ksm n GLU 109 Cb 0.33 -1.62 0.66 0.00 -0.57 0.00 0.00 31.44 30.24 3ksm n GLU 109 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3ksm h ASP 110 N -0.07 0.00 0.39 1.62 3.32 -1.94 -2.53 116.42 117.21 3ksm h ASP 110 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3ksm h ASP 110 Cb 1.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.47 3ksm h ASP 110 CO -0.02 0.00 -0.37 0.18 -1.72 0.00 0.00 179.24 177.31 3ksm n LEU 111 N -3.07 0.72 -0.18 1.55 7.99 -1.17 -4.42 117.00 118.43 3ksm n LEU 111 Ca 0.01 -0.11 -0.07 0.00 -0.01 0.00 0.00 56.01 55.83 3ksm n LEU 111 Cb 0.31 -0.19 0.03 0.00 -0.11 0.00 0.00 43.42 43.45 3ksm n LEU 111 CO 0.27 0.15 1.09 0.74 -1.51 0.00 0.00 177.39 178.13 3ksm h THR 112 N 0.55 1.12 -0.86 -5.08 2.02 -1.65 -1.97 112.91 107.05 3ksm h THR 112 Ca 0.00 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.99 3ksm h THR 112 Cb 0.50 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 3ksm h THR 112 CO 0.00 0.13 0.54 -0.65 0.37 0.00 0.00 175.52 175.90 3ksm h PRO 113 N 0.70 0.97 -0.39 6.66 0.11 -1.79 -0.03 132.00 138.22 3ksm h PRO 113 Ca 0.19 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.25 3ksm h PRO 113 Cb -0.07 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.80 3ksm h PRO 113 CO -0.05 0.64 0.26 0.77 -0.21 0.00 0.00 178.00 179.41 3ksm h SER 114 N 1.00 0.44 -0.20 -2.05 0.02 -1.72 -2.25 113.55 108.80 3ksm h SER 114 Ca 0.36 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.22 3ksm h SER 114 Cb 0.12 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3ksm h SER 114 CO -0.16 0.32 -0.16 0.58 -1.14 0.00 0.00 176.83 176.27 3ksm h VAL 115 N 0.52 1.25 -0.16 2.27 2.07 -1.04 -2.72 116.25 118.45 3ksm h VAL 115 Ca 0.15 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 3ksm h VAL 115 Cb -0.05 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3ksm h VAL 115 CO -0.04 0.38 -0.13 0.00 0.02 0.00 0.00 177.57 177.80 3ksm h ALA 116 N 1.28 1.49 -0.55 1.67 0.00 -0.65 -0.86 119.26 121.64 3ksm h ALA 116 Ca 0.09 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3ksm h ALA 116 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ksm h ALA 116 CO 0.04 0.36 0.04 1.96 0.00 0.00 0.00 179.25 181.65 3ksm h GLN 117 N 0.24 0.91 -0.31 0.00 4.20 -1.09 0.03 115.11 119.08 3ksm h GLN 117 Ca 0.05 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 3ksm h GLN 117 Cb 0.38 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3ksm h GLN 117 CO 0.02 0.88 -0.06 1.88 -0.67 0.00 0.00 178.83 180.88 3ksm h TYR 118 N 0.85 0.66 -0.96 2.96 0.05 -1.26 -2.59 116.97 116.69 3ksm h TYR 118 Ca 0.17 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3ksm h TYR 118 Cb 0.45 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.98 3ksm h TYR 118 CO 0.03 0.77 0.60 -0.09 -1.05 0.00 0.00 178.16 178.42 3ksm h ARG 119 N 0.37 1.28 0.00 4.88 9.65 -0.84 -1.07 114.38 128.64 3ksm h ARG 119 Ca 0.08 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 3ksm h ARG 119 Cb 0.55 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 3ksm h ARG 119 CO 0.03 0.87 -0.19 0.00 2.80 0.00 0.00 179.97 183.48 3ksm h ALA 120 N 1.33 1.31 -0.27 2.80 0.00 -0.97 -0.37 119.26 123.10 3ksm h ALA 120 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ksm h ALA 120 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ksm h ALA 120 CO -0.07 0.23 0.00 0.54 0.00 0.00 0.00 179.25 179.95 3ksm n ARG 121 N -3.77 1.75 -2.81 0.00 5.12 -0.73 -4.96 116.66 111.26 3ksm n ARG 121 Ca -0.02 -1.15 -0.19 0.00 -1.93 0.00 0.00 57.85 54.56 3ksm n ARG 121 Cb 0.29 -1.31 0.01 0.00 -1.16 0.00 0.00 32.46 30.29 3ksm n ARG 121 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3ksm n ASN 122 N 0.40 -4.93 -4.57 0.55 3.02 -0.15 -4.98 115.26 104.60 3ksm n ASN 122 Ca 0.13 -0.12 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 3ksm n ASN 122 Cb 0.30 -4.07 -0.09 0.00 -0.61 0.00 0.00 39.78 35.31 3ksm n ASN 122 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ksm s ILE 123 N -2.94 5.13 0.47 2.41 1.01 -0.48 -5.01 121.20 121.78 3ksm s ILE 123 Ca 0.18 0.33 -0.24 0.00 0.00 0.00 0.00 60.65 60.92 3ksm s ILE 123 Cb -0.09 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 38.49 3ksm s ILE 123 CO 0.22 -0.03 1.39 -2.65 0.00 0.00 0.00 174.94 173.86 3ksm n PRO 124 N 5.47 2.06 -4.30 2.79 -0.02 -1.26 -4.14 135.00 135.59 3ksm n PRO 124 Ca -0.08 0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 61.87 3ksm n PRO 124 Cb 0.50 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.24 3ksm n PRO 124 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ksm s VAL 125 N -1.22 1.31 -0.20 -1.45 1.01 -1.26 -1.59 120.40 117.01 3ksm s VAL 125 Ca 0.64 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 3ksm s VAL 125 Cb -0.45 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3ksm s VAL 125 CO 0.56 0.41 -0.04 -0.22 0.00 0.00 0.00 175.10 175.80 3ksm s LEU 126 N 1.14 2.99 -0.05 3.92 1.98 0.12 -0.58 118.68 128.20 3ksm s LEU 126 Ca -0.04 -0.32 -0.17 0.00 -2.89 0.00 0.00 54.13 50.71 3ksm s LEU 126 Cb -0.14 -1.75 -0.05 0.00 0.66 0.00 0.00 46.19 44.91 3ksm s LEU 126 CO -0.03 0.04 0.46 -0.69 -1.89 0.00 0.00 176.35 174.24 3ksm s VAL 127 N 1.13 5.08 0.08 1.68 1.01 -0.23 -1.30 120.40 127.85 3ksm s VAL 127 Ca 0.02 0.93 0.09 0.00 0.00 0.00 0.00 61.98 63.02 3ksm s VAL 127 Cb -0.15 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3ksm s VAL 127 CO -0.00 0.45 -0.25 0.54 0.00 0.00 0.00 175.10 175.84 3ksm s VAL 128 N -0.21 2.31 0.00 2.92 0.11 0.28 -1.23 120.40 124.58 3ksm s VAL 128 Ca 0.25 -1.48 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 3ksm s VAL 128 Cb -0.16 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 3ksm s VAL 128 CO 0.12 0.26 0.00 -0.67 -3.33 0.00 0.00 175.10 171.48 3ksm n ASP 129 N 1.42 0.00 -3.70 3.54 2.03 -0.37 -4.09 116.55 115.37 3ksm n ASP 129 Ca -0.17 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.00 3ksm n ASP 129 Cb 0.52 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.78 3ksm n ASP 129 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ksm s SER 130 N 0.00 0.16 0.81 1.67 0.15 -1.26 -4.62 113.70 110.61 3ksm s SER 130 Ca 0.00 0.46 -0.11 0.00 0.70 0.00 0.00 55.95 57.00 3ksm s SER 130 Cb 0.00 0.42 0.08 0.00 -1.71 0.00 0.00 66.02 64.81 3ksm s SER 130 CO 0.00 -0.20 1.13 -0.62 1.20 0.00 0.00 173.24 174.74 3ksm s ASP 131 N 1.80 3.98 -0.07 5.45 -1.08 -1.26 -4.24 116.67 121.25 3ksm s ASP 131 Ca -0.04 2.03 0.03 0.00 -0.52 0.00 0.00 52.55 54.05 3ksm s ASP 131 Cb -0.11 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.78 3ksm s ASP 131 CO -0.07 -2.39 -0.15 -0.22 0.52 0.00 0.00 175.17 172.86 3ksm s LEU 132 N -5.97 2.68 0.76 -1.34 2.96 -1.26 -4.36 118.68 112.15 3ksm s LEU 132 Ca 0.65 -0.25 -0.13 0.00 -0.22 0.00 0.00 54.13 54.18 3ksm s LEU 132 Cb -0.21 -1.55 0.06 0.00 0.50 0.00 0.00 46.19 44.99 3ksm s LEU 132 CO 0.54 0.29 1.15 0.00 -1.32 0.00 0.00 176.35 177.01 3ksm s ALA 133 N -0.43 2.08 0.00 5.97 0.00 0.50 -4.88 121.76 125.00 3ksm s ALA 133 Ca 0.05 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3ksm s ALA 133 Cb -0.12 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3ksm s ALA 133 CO 0.02 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.28 3ksm n GLY 134 N -0.20 -1.91 1.83 0.00 0.00 -1.26 -4.71 105.19 98.94 3ksm n GLY 134 Ca 0.11 -1.43 0.02 0.00 0.00 0.00 0.00 46.02 44.73 3ksm n GLY 134 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ksm n ASP 135 N 0.66 1.33 0.21 1.61 5.68 -1.26 -4.82 116.55 119.96 3ksm n ASP 135 Ca 0.00 -2.19 0.10 0.00 -0.50 0.00 0.00 54.79 52.20 3ksm n ASP 135 Cb 0.00 -0.37 0.39 0.00 -1.14 0.00 0.00 41.12 40.00 3ksm n ASP 135 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ksm h ALA 136 N 1.49 0.96 -1.95 2.12 0.00 -1.96 -3.46 119.26 116.48 3ksm h ALA 136 Ca -0.17 -0.20 -0.45 0.00 0.00 0.00 0.00 54.91 54.09 3ksm h ALA 136 Cb 1.65 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 19.44 3ksm h ALA 136 CO 0.14 0.28 -0.05 -3.38 0.00 0.00 0.00 179.25 176.24 3ksm s HIS 137 N -3.50 3.01 -0.74 0.00 -3.43 -1.26 -4.72 115.29 104.64 3ksm s HIS 137 Ca 0.02 0.10 0.17 0.00 -0.80 0.00 0.00 55.06 54.55 3ksm s HIS 137 Cb 0.09 -2.59 -0.19 0.00 -1.43 0.00 0.00 32.58 28.45 3ksm s HIS 137 CO 0.65 -0.69 0.70 1.04 -2.00 0.00 0.00 174.74 174.44 3ksm n GLN 138 N -2.26 1.28 0.00 -0.38 3.00 0.25 -4.99 117.38 114.28 3ksm n GLN 138 Ca 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3ksm n GLN 138 Cb 0.59 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.51 3ksm n GLN 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ksm n GLY 139 N 1.41 -0.05 2.96 1.08 0.00 -1.25 -4.77 105.19 104.58 3ksm n GLY 139 Ca 0.03 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 3ksm n GLY 139 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksm s LEU 140 N 0.00 1.79 -0.20 0.99 2.96 0.39 -1.06 118.68 123.55 3ksm s LEU 140 Ca 0.00 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3ksm s LEU 140 Cb 0.00 -0.39 0.06 0.00 0.50 0.00 0.00 46.19 46.36 3ksm s LEU 140 CO 0.00 0.04 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.37 3ksm s VAL 141 N 0.18 1.02 0.09 1.68 1.01 -0.37 -0.22 120.40 123.80 3ksm s VAL 141 Ca -0.02 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.87 3ksm s VAL 141 Cb -0.07 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 35.03 3ksm s VAL 141 CO -0.00 -0.10 1.00 0.00 0.00 0.00 0.00 175.10 176.00 3ksm s ALA 142 N 1.64 -1.78 0.65 5.51 0.00 -0.67 -1.24 121.76 125.88 3ksm s ALA 142 Ca -0.03 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.15 3ksm s ALA 142 Cb -0.17 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 3ksm s ALA 142 CO -0.07 -0.97 1.24 0.99 0.00 0.00 0.00 175.76 176.95 3ksm s THR 143 N -3.11 2.31 -0.94 0.00 2.01 -1.26 -1.30 115.64 113.35 3ksm s THR 143 Ca 0.11 0.18 -0.24 0.00 0.31 0.00 0.00 61.69 62.05 3ksm s THR 143 Cb -0.00 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.55 3ksm s THR 143 CO -0.01 -0.05 1.54 -0.62 -0.69 0.00 0.00 174.62 174.79 3ksm s ASP 144 N -1.63 6.13 0.27 3.53 -1.08 -1.26 -4.85 116.67 117.78 3ksm s ASP 144 Ca 0.79 -1.07 0.02 0.00 -0.52 0.00 0.00 52.55 51.76 3ksm s ASP 144 Cb -0.33 -2.56 0.38 0.00 -1.46 0.00 0.00 42.92 38.94 3ksm s ASP 144 CO 0.39 -1.84 1.70 0.78 0.52 0.00 0.00 175.17 176.73 3ksm h ASN 145 N 10.36 0.52 -0.09 -0.34 2.35 -1.92 -0.49 115.58 125.96 3ksm h ASN 145 Ca 0.09 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3ksm h ASN 145 Cb 1.02 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 3ksm h ASN 145 CO 1.36 0.77 0.06 0.22 -1.65 0.00 0.00 177.43 178.18 3ksm h TYR 146 N 0.45 0.12 -0.42 1.19 3.20 -1.88 -1.27 116.97 118.36 3ksm h TYR 146 Ca 0.06 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3ksm h TYR 146 Cb 0.69 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3ksm h TYR 146 CO 0.02 0.08 0.05 0.00 -1.64 0.00 0.00 178.16 176.67 3ksm h ALA 147 N 1.03 1.30 -0.68 1.82 0.00 -1.77 -1.78 119.26 119.19 3ksm h ALA 147 Ca 0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3ksm h ALA 147 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ksm h ALA 147 CO -0.01 0.48 0.20 0.00 0.00 0.00 0.00 179.25 179.92 3ksm h ALA 148 N 1.44 1.07 -0.43 0.00 0.00 -0.87 0.60 119.26 121.08 3ksm h ALA 148 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3ksm h ALA 148 Cb 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ksm h ALA 148 CO 0.01 0.63 0.20 0.78 0.00 0.00 0.00 179.25 180.86 3ksm h GLY 149 N 1.07 0.66 1.00 0.00 0.00 -0.72 -1.25 103.07 103.84 3ksm h GLY 149 Ca 0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3ksm h GLY 149 CO -0.01 0.32 0.38 1.46 0.00 0.00 0.00 176.54 178.70 3ksm h GLN 150 N 0.55 0.83 -0.40 4.80 4.20 -0.98 -1.86 115.11 122.24 3ksm h GLN 150 Ca 0.15 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.85 3ksm h GLN 150 Cb 0.14 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 3ksm h GLN 150 CO -0.02 0.58 0.06 1.25 -0.67 0.00 0.00 178.83 180.03 3ksm h LEU 151 N 0.84 -0.04 -0.91 1.46 5.85 -0.74 -1.93 115.31 119.83 3ksm h LEU 151 Ca 0.22 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.05 3ksm h LEU 151 Cb -0.05 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3ksm h LEU 151 CO -0.04 0.01 0.59 0.00 -0.34 0.00 0.00 178.44 178.66 3ksm h ALA 152 N 1.32 1.20 -0.31 1.25 0.00 -0.86 -0.12 119.26 121.75 3ksm h ALA 152 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ksm h ALA 152 Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ksm h ALA 152 CO -0.28 0.45 0.12 0.00 0.00 0.00 0.00 179.25 179.54 3ksm h ALA 153 N 1.37 0.40 -0.82 0.00 0.00 -1.01 -0.25 119.26 118.96 3ksm h ALA 153 Ca 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ksm h ALA 153 Cb 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3ksm h ALA 153 CO -0.12 0.01 0.51 0.00 0.00 0.00 0.00 179.25 179.66 3ksm h ARG 154 N 0.35 1.10 -0.62 0.00 3.08 -0.90 -0.25 114.38 117.14 3ksm h ARG 154 Ca 0.10 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3ksm h ARG 154 Cb 0.20 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3ksm h ARG 154 CO -0.01 0.76 0.24 0.00 -1.07 0.00 0.00 179.97 179.90 3ksm h ALA 155 N 1.28 0.81 -0.60 0.04 0.00 -0.89 -2.35 119.26 117.54 3ksm h ALA 155 Ca 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ksm h ALA 155 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3ksm h ALA 155 CO -0.06 0.43 0.29 1.25 0.00 0.00 0.00 179.25 181.16 3ksm h LEU 156 N 0.87 0.79 -1.01 0.00 5.85 -0.62 -2.63 115.31 118.56 3ksm h LEU 156 Ca 0.21 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3ksm h LEU 156 Cb 0.21 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3ksm h LEU 156 CO -0.02 0.70 0.66 -0.07 -0.34 0.00 0.00 178.44 179.37 3ksm h LEU 157 N 0.83 1.10 -2.18 2.25 3.38 -0.85 -1.00 115.31 118.84 3ksm h LEU 157 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3ksm h LEU 157 Cb 0.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3ksm h LEU 157 CO -0.03 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.25 3ksm h ALA 158 N 1.42 1.00 0.00 1.53 0.00 -1.05 -1.98 119.26 120.17 3ksm h ALA 158 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3ksm h ALA 158 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ksm h ALA 158 CO -0.13 0.00 -0.78 1.79 0.00 0.00 0.00 179.25 180.13 3ksm h THR 159 N 0.00 0.00 -3.41 0.00 1.35 -1.02 -3.48 112.91 106.35 3ksm h THR 159 Ca 0.00 -0.90 -0.54 0.00 -0.55 0.00 0.00 66.41 64.42 3ksm h THR 159 Cb 0.15 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 3ksm h THR 159 CO 0.00 0.00 -0.13 -0.76 -0.25 0.00 0.00 175.52 174.38 3ksm s LEU 160 N -5.26 4.17 -0.75 3.87 1.43 -0.75 -4.85 118.68 116.54 3ksm s LEU 160 Ca 0.02 0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 53.75 3ksm s LEU 160 Cb 0.10 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.68 3ksm s LEU 160 CO 0.76 -0.06 1.45 -0.62 0.23 0.00 0.00 176.35 178.10 3ksm s ASP 161 N -2.37 5.97 0.00 2.29 -1.08 -1.26 -4.87 116.67 115.36 3ksm s ASP 161 Ca 0.47 -0.42 0.12 0.00 -0.52 0.00 0.00 52.55 52.20 3ksm s ASP 161 Cb -0.11 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.26 3ksm s ASP 161 CO 0.21 -1.95 1.34 0.18 0.52 0.00 0.00 175.17 175.48 3ksm n LEU 162 N 10.21 1.24 0.00 -1.34 4.77 -1.26 -3.43 117.00 127.19 3ksm n LEU 162 Ca 0.12 -0.59 0.10 0.00 -0.03 0.00 0.00 56.01 55.61 3ksm n LEU 162 Cb 0.50 -0.13 0.45 0.00 -2.33 0.00 0.00 43.42 41.91 3ksm n LEU 162 CO 0.70 0.29 0.84 -1.54 -1.33 0.00 0.00 177.39 176.35 3ksm n SER 163 N 0.12 0.00 -4.09 -1.43 3.41 -1.26 -4.87 113.62 105.50 3ksm n SER 163 Ca 0.11 0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 59.12 3ksm n SER 163 Cb 0.22 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 3ksm n SER 163 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ksm s LYS 164 N -3.00 0.61 0.32 4.33 2.20 -1.22 -5.13 119.74 117.85 3ksm s LYS 164 Ca 0.10 -1.06 -0.29 0.00 -0.36 0.00 0.00 55.97 54.36 3ksm s LYS 164 Cb 0.14 -0.03 -0.11 0.00 -1.51 0.00 0.00 37.83 36.32 3ksm s LYS 164 CO 0.39 -0.04 1.55 -2.00 -0.36 0.00 0.00 175.35 174.88 3ksm s GLU 165 N -3.00 4.13 -0.05 4.03 2.12 -1.26 -4.91 118.70 119.76 3ksm s GLU 165 Ca 0.01 2.56 0.04 0.00 0.36 0.00 0.00 54.97 57.94 3ksm s GLU 165 Cb 0.00 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.39 3ksm s GLU 165 CO -0.05 -0.59 -0.16 1.03 -0.54 0.00 0.00 175.26 174.96 3ksm s ARG 166 N -1.03 1.75 -0.15 4.30 1.81 0.29 -5.02 118.95 120.89 3ksm s ARG 166 Ca 0.59 -0.55 -0.15 0.00 -1.72 0.00 0.00 55.73 53.90 3ksm s ARG 166 Cb -0.47 -1.49 -0.05 0.00 -0.45 0.00 0.00 34.95 32.49 3ksm s ARG 166 CO 0.53 0.19 0.33 -0.80 -0.68 0.00 0.00 175.30 174.87 3ksm s ASN 167 N 0.18 6.49 -0.04 0.23 0.01 -1.26 -1.58 114.94 118.97 3ksm s ASN 167 Ca -0.06 0.57 0.07 0.00 -0.71 0.00 0.00 52.86 52.72 3ksm s ASN 167 Cb -0.12 -2.20 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 3ksm s ASN 167 CO 0.03 0.08 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.83 3ksm s ILE 168 N 0.49 2.22 0.06 0.60 -1.09 0.35 0.15 121.20 123.98 3ksm s ILE 168 Ca 0.18 -1.03 0.08 0.00 -2.23 0.00 0.00 60.65 57.65 3ksm s ILE 168 Cb -0.13 -1.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 3ksm s ILE 168 CO 0.05 0.58 -0.20 0.00 -1.23 0.00 0.00 174.94 174.14 3ksm s ALA 169 N -0.46 2.55 -0.08 9.38 0.00 0.27 -0.99 121.76 132.43 3ksm s ALA 169 Ca 0.05 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.81 3ksm s ALA 169 Cb -0.11 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.34 3ksm s ALA 169 CO 0.01 0.57 -0.18 -1.17 0.00 0.00 0.00 175.76 174.99 3ksm s LEU 170 N -1.54 1.85 -0.51 0.00 2.96 -0.35 -1.76 118.68 119.34 3ksm s LEU 170 Ca 0.15 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.46 3ksm s LEU 170 Cb -0.10 -1.11 0.07 0.00 0.50 0.00 0.00 46.19 45.55 3ksm s LEU 170 CO 0.05 0.09 0.54 -0.22 -1.32 0.00 0.00 176.35 175.50 3ksm s LEU 171 N 0.53 5.34 0.71 -0.68 2.96 -0.71 -3.59 118.68 123.23 3ksm s LEU 171 Ca -0.16 -1.19 -0.11 0.00 -0.22 0.00 0.00 54.13 52.45 3ksm s LEU 171 Cb -0.17 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.22 3ksm s LEU 171 CO 0.06 -0.83 1.06 -0.13 -1.32 0.00 0.00 176.35 175.19 3ksm s ARG 172 N 2.21 2.83 0.00 1.98 0.52 0.26 -4.19 118.95 122.56 3ksm s ARG 172 Ca 0.10 0.92 0.00 0.00 -0.52 0.00 0.00 55.73 56.23 3ksm s ARG 172 Cb -0.22 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.27 3ksm s ARG 172 CO 0.09 -1.17 0.00 -0.11 0.02 0.00 0.00 175.30 174.13 3ksm n LEU 173 N -3.17 0.12 -3.49 2.53 7.94 -1.26 -0.32 117.00 119.35 3ksm n LEU 173 Ca 0.07 0.10 0.01 0.00 -1.11 0.00 0.00 56.01 55.09 3ksm n LEU 173 Cb 0.54 -0.42 -0.04 0.00 0.53 0.00 0.00 43.42 44.03 3ksm n LEU 173 CO 0.56 -0.42 0.48 -0.60 -1.11 0.00 0.00 177.39 176.30 3ksm s ARG 174 N -0.83 0.40 0.18 1.96 3.52 -1.26 -0.71 118.95 122.21 3ksm s ARG 174 Ca 0.00 1.01 -0.33 0.00 -0.13 0.00 0.00 55.73 56.28 3ksm s ARG 174 Cb 0.00 0.61 -0.14 0.00 -1.56 0.00 0.00 34.95 33.86 3ksm s ARG 174 CO 0.00 -0.14 1.51 0.00 -0.81 0.00 0.00 175.30 175.86 3ksm n ALA 175 N 5.16 1.19 0.00 6.12 0.00 -1.26 -2.13 120.51 129.59 3ksm n ALA 175 Ca -0.10 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3ksm n ALA 175 Cb 0.51 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3ksm n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksm n GLY 176 N 2.94 1.88 3.52 0.00 0.00 -1.26 -5.03 105.19 107.24 3ksm n GLY 176 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3ksm n GLY 176 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ksm s ASN 177 N -1.52 6.21 0.22 1.61 2.47 -0.90 -1.39 114.94 121.64 3ksm s ASN 177 Ca 0.00 -0.55 -0.09 0.00 0.42 0.00 0.00 52.86 52.64 3ksm s ASN 177 Cb 0.00 -2.50 0.19 0.00 -1.45 0.00 0.00 41.25 37.48 3ksm s ASN 177 CO 0.00 -1.61 1.89 0.00 -3.72 0.00 0.00 177.10 173.66 3ksm h ALA 178 N 9.76 1.03 0.03 1.71 0.00 -1.87 -0.61 119.26 129.31 3ksm h ALA 178 Ca -0.28 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3ksm h ALA 178 Cb 1.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3ksm h ALA 178 CO 1.22 0.42 -0.09 0.66 0.00 0.00 0.00 179.25 181.46 3ksm h SER 179 N 1.09 -0.26 0.76 0.00 4.64 -1.89 -0.86 113.55 117.02 3ksm h SER 179 Ca 0.30 0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.46 3ksm h SER 179 Cb -0.11 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ksm h SER 179 CO -0.07 -0.14 -0.91 0.71 -0.87 0.00 0.00 176.83 175.55 3ksm h THR 180 N -0.18 1.58 -0.72 2.95 1.35 -1.85 -2.32 112.91 113.71 3ksm h THR 180 Ca 0.02 -2.89 0.04 0.00 -0.55 0.00 0.00 66.41 63.03 3ksm h THR 180 Cb 0.20 2.60 -0.04 0.00 -1.73 0.00 0.00 68.15 69.19 3ksm h THR 180 CO -0.07 0.83 0.48 0.44 -0.25 0.00 0.00 175.52 176.95 3ksm h ASP 181 N 0.04 0.75 0.03 5.36 3.32 -0.76 -0.55 116.42 124.61 3ksm h ASP 181 Ca -0.03 -0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.74 3ksm h ASP 181 Cb 1.58 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 40.98 3ksm h ASP 181 CO 0.13 0.51 -1.10 1.56 -1.72 0.00 0.00 179.24 178.63 3ksm h GLN 182 N 0.87 0.68 -0.04 3.56 4.20 -1.02 -0.21 115.11 123.14 3ksm h GLN 182 Ca 0.29 -0.78 0.02 0.00 0.06 0.00 0.00 58.65 58.24 3ksm h GLN 182 Cb 0.08 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3ksm h GLN 182 CO -0.08 1.34 -0.05 0.00 -0.67 0.00 0.00 178.83 179.37 3ksm h ARG 183 N 0.36 -0.07 -0.39 1.46 3.08 -1.16 0.19 114.38 117.84 3ksm h ARG 183 Ca -0.15 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.94 3ksm h ARG 183 Cb 1.75 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.79 3ksm h ARG 183 CO 0.21 -0.05 0.19 0.93 -1.07 0.00 0.00 179.97 180.18 3ksm h GLU 184 N -0.07 0.37 -0.44 0.04 5.08 -1.07 -1.35 114.58 117.14 3ksm h GLU 184 Ca 0.04 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3ksm h GLU 184 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3ksm h GLU 184 CO -0.09 0.25 0.06 0.37 -1.00 0.00 0.00 179.01 178.60 3ksm h GLN 185 N 0.38 0.73 -0.66 2.33 5.75 -0.84 -0.96 115.11 121.85 3ksm h GLN 185 Ca 0.17 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3ksm h GLN 185 Cb 0.08 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 3ksm h GLN 185 CO -0.12 0.76 0.40 0.78 -2.65 0.00 0.00 178.83 178.00 3ksm h GLY 186 N 0.59 0.95 0.88 2.39 0.00 -0.79 0.18 103.07 107.27 3ksm h GLY 186 Ca 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3ksm h GLY 186 CO 0.01 0.24 0.03 -2.75 0.00 0.00 0.00 176.54 174.07 3ksm h PHE 187 N 0.78 0.08 -0.37 5.60 3.57 -1.07 -2.80 116.94 122.73 3ksm h PHE 187 Ca 0.27 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 3ksm h PHE 187 Cb 0.05 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3ksm h PHE 187 CO -0.05 0.18 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.96 3ksm h LEU 188 N -0.04 0.69 -1.76 0.59 3.38 -0.87 -2.72 115.31 114.58 3ksm h LEU 188 Ca 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3ksm h LEU 188 Cb 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ksm h LEU 188 CO -0.00 0.87 -0.10 0.44 0.09 0.00 0.00 178.44 179.73 3ksm h ASP 189 N 0.62 0.03 0.12 -0.43 3.32 -0.56 0.18 116.42 119.69 3ksm h ASP 189 Ca 0.10 -0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.90 3ksm h ASP 189 Cb 0.64 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.19 3ksm h ASP 189 CO 0.04 0.13 -0.98 0.58 -1.72 0.00 0.00 179.24 177.30 3ksm h VAL 190 N 0.03 1.32 0.00 -1.35 2.07 -1.30 -3.41 116.25 113.61 3ksm h VAL 190 Ca 0.01 -2.29 -0.20 0.00 0.82 0.00 0.00 66.70 65.03 3ksm h VAL 190 Cb 0.20 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 3ksm h VAL 190 CO 0.01 0.70 -2.19 0.18 0.02 0.00 0.00 177.57 176.29 3ksm n LEU 191 N -3.82 0.03 0.11 2.57 4.77 -0.62 -4.43 117.00 115.60 3ksm n LEU 191 Ca -0.09 0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.05 3ksm n LEU 191 Cb 0.85 0.27 0.67 0.00 -2.33 0.00 0.00 43.42 42.88 3ksm n LEU 191 CO 0.54 0.27 1.14 0.03 -1.33 0.00 0.00 177.39 178.04 3ksm h ARG 192 N 0.00 0.00 -0.33 3.23 3.08 -0.92 -1.79 114.38 117.65 3ksm h ARG 192 Ca -0.30 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3ksm h ARG 192 Cb 1.69 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 3ksm h ARG 192 CO 0.02 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.55 3ksm n LYS 193 N -4.45 2.66 -2.34 0.04 5.02 -1.26 -5.00 118.16 112.84 3ksm n LYS 193 Ca 0.05 -1.99 -0.42 0.00 -2.02 0.00 0.00 58.31 53.93 3ksm n LYS 193 Cb 0.39 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 3ksm n LYS 193 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3ksm s HIS 194 N -1.00 3.39 0.36 2.13 2.46 -0.67 -4.96 115.29 117.00 3ksm s HIS 194 Ca 0.23 1.29 -0.28 0.00 0.47 0.00 0.00 55.06 56.77 3ksm s HIS 194 Cb 0.12 -3.48 -0.12 0.00 -0.13 0.00 0.00 32.58 28.97 3ksm s HIS 194 CO 0.16 -1.48 1.33 -3.47 -2.47 0.00 0.00 174.74 168.81 3ksm n ASP 195 N 3.23 2.96 -0.32 9.88 2.03 -1.26 -2.35 116.55 130.71 3ksm n ASP 195 Ca 0.07 1.20 -0.04 0.00 0.52 0.00 0.00 54.79 56.54 3ksm n ASP 195 Cb 0.45 -1.51 -0.02 0.00 -0.72 0.00 0.00 41.12 39.31 3ksm n ASP 195 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ksm n LYS 196 N 0.48 -1.15 -4.94 -0.67 5.02 -1.26 -4.98 118.16 110.66 3ksm n LYS 196 Ca 0.04 0.52 -0.32 0.00 -2.02 0.00 0.00 58.31 56.53 3ksm n LYS 196 Cb 0.37 -4.51 -0.16 0.00 -0.02 0.00 0.00 35.03 30.71 3ksm n LYS 196 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ksm s ILE 197 N -1.73 2.36 -0.10 -0.18 -1.09 -0.99 -0.55 121.20 118.92 3ksm s ILE 197 Ca 0.00 -0.90 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 3ksm s ILE 197 Cb 0.00 -1.94 0.01 0.00 -1.58 0.00 0.00 42.46 38.94 3ksm s ILE 197 CO 0.00 0.54 -0.20 -0.60 -1.23 0.00 0.00 174.94 173.46 3ksm s ARG 198 N 0.48 2.62 -0.46 2.79 3.52 -0.61 -4.74 118.95 122.55 3ksm s ARG 198 Ca -0.13 -0.72 -0.23 0.00 -0.13 0.00 0.00 55.73 54.51 3ksm s ARG 198 Cb -0.17 -2.07 0.03 0.00 -1.56 0.00 0.00 34.95 31.18 3ksm s ARG 198 CO 0.05 0.07 0.79 0.42 -0.81 0.00 0.00 175.30 175.82 3ksm s ILE 199 N 0.60 4.64 -1.04 4.11 -1.09 -1.26 -0.50 121.20 126.67 3ksm s ILE 199 Ca -0.14 0.39 0.18 0.00 -2.23 0.00 0.00 60.65 58.85 3ksm s ILE 199 Cb -0.17 -4.33 -0.15 0.00 -1.58 0.00 0.00 42.46 36.23 3ksm s ILE 199 CO 0.04 -0.74 0.80 2.30 -1.23 0.00 0.00 174.94 176.11 3ksm n ILE 200 N 6.13 0.00 -3.64 2.92 -6.64 -0.16 -4.94 119.36 113.02 3ksm n ILE 200 Ca 0.02 -0.13 -0.10 0.00 -1.77 0.00 0.00 62.75 60.77 3ksm n ILE 200 Cb 0.48 1.05 -0.07 0.00 -1.44 0.00 0.00 39.64 39.66 3ksm n ILE 200 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3ksm s ALA 201 N -2.56 -1.76 -0.37 -1.28 0.00 -1.23 -5.03 121.76 109.52 3ksm s ALA 201 Ca 0.09 2.20 0.13 0.00 0.00 0.00 0.00 51.96 54.37 3ksm s ALA 201 Cb 0.14 -1.29 0.38 0.00 0.00 0.00 0.00 23.12 22.35 3ksm s ALA 201 CO 0.68 -0.35 0.92 0.00 0.00 0.00 0.00 175.76 177.01 3ksm n ALA 202 N 3.76 1.94 -1.68 0.00 0.00 -1.25 -1.21 120.51 122.07 3ksm n ALA 202 Ca -0.18 -2.80 -0.30 0.00 0.00 0.00 0.00 53.44 50.16 3ksm n ALA 202 Cb 0.57 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 19.11 3ksm n ALA 202 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ksm s PRO 203 N -1.96 2.61 -0.01 0.00 0.04 -1.24 -4.62 135.00 129.83 3ksm s PRO 203 Ca 0.31 0.66 -0.20 0.00 0.04 0.00 0.00 61.00 61.81 3ksm s PRO 203 Cb 0.38 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.89 3ksm s PRO 203 CO -0.04 -1.25 0.59 0.71 0.04 0.00 0.00 177.00 177.05 3ksm s TYR 204 N -3.20 3.68 -0.12 0.56 2.02 -1.26 -0.58 117.35 118.45 3ksm s TYR 204 Ca 0.59 1.19 0.17 0.00 -0.37 0.00 0.00 57.07 58.65 3ksm s TYR 204 Cb -0.13 -2.61 -0.23 0.00 -0.40 0.00 0.00 41.96 38.60 3ksm s TYR 204 CO 0.54 0.35 0.44 0.00 -1.57 0.00 0.00 175.55 175.30 3ksm n ALA 205 N 2.74 1.72 0.00 3.71 0.00 0.56 -4.91 120.51 124.33 3ksm n ALA 205 Ca -0.07 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.44 3ksm n ALA 205 Cb 0.51 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.37 3ksm n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksm n GLY 206 N 1.57 -2.10 0.10 0.00 0.00 0.11 -4.04 105.19 100.83 3ksm n GLY 206 Ca -0.21 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.30 3ksm n GLY 206 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ksm h ASP 207 N 0.00 0.00 -3.54 1.61 5.19 -1.90 -3.45 116.42 114.33 3ksm h ASP 207 Ca 0.00 -0.07 -0.52 0.00 -0.62 0.00 0.00 57.03 55.82 3ksm h ASP 207 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 3ksm h ASP 207 CO 0.00 0.03 0.15 -0.62 -3.12 0.00 0.00 179.24 175.69 3ksm s ASP 208 N -5.05 7.27 0.39 6.45 2.15 -1.26 -4.88 116.67 121.74 3ksm s ASP 208 Ca 0.01 1.57 0.08 0.00 0.43 0.00 0.00 52.55 54.63 3ksm s ASP 208 Cb 0.11 -2.47 0.78 0.00 -0.30 0.00 0.00 42.92 41.04 3ksm s ASP 208 CO 0.78 0.15 1.96 0.08 -0.17 0.00 0.00 175.17 177.97 3ksm h ARG 209 N 4.02 0.41 -0.80 4.34 0.11 -1.89 -2.14 114.38 118.42 3ksm h ARG 209 Ca -0.47 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 59.53 3ksm h ARG 209 Cb 1.20 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 32.17 3ksm h ARG 209 CO 0.65 0.40 0.44 0.78 0.10 0.00 0.00 179.97 182.35 3ksm h GLY 210 N 0.66 1.19 1.06 0.08 0.00 -1.94 0.92 103.07 105.04 3ksm h GLY 210 Ca 0.09 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3ksm h GLY 210 CO -0.00 0.52 0.02 0.00 0.00 0.00 0.00 176.54 177.08 3ksm h ALA 211 N 1.23 0.79 -0.85 3.60 0.00 -1.78 -1.16 119.26 121.09 3ksm h ALA 211 Ca 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ksm h ALA 211 Cb 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3ksm h ALA 211 CO -0.05 0.60 0.40 0.00 0.00 0.00 0.00 179.25 180.21 3ksm h ALA 212 N 0.98 1.10 -0.03 0.00 0.00 -1.00 -1.63 119.26 118.68 3ksm h ALA 212 Ca 0.17 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ksm h ALA 212 Cb 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ksm h ALA 212 CO 0.03 0.67 -0.02 -0.09 0.00 0.00 0.00 179.25 179.84 3ksm h ARG 213 N 1.22 -0.02 -0.79 0.00 2.43 -0.61 -3.05 114.38 113.56 3ksm h ARG 213 Ca 0.29 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 3ksm h ARG 213 Cb 0.13 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3ksm h ARG 213 CO -0.04 -0.01 0.51 0.77 -1.51 0.00 0.00 179.97 179.69 3ksm h SER 214 N -0.02 0.84 0.00 -3.80 0.02 -0.98 -1.32 113.55 108.29 3ksm h SER 214 Ca 0.02 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3ksm h SER 214 Cb 0.05 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3ksm h SER 214 CO -0.04 0.58 0.00 1.21 -1.14 0.00 0.00 176.83 177.44 3ksm n GLU 215 N -4.59 0.36 0.00 3.45 4.07 -0.63 -2.36 120.64 120.94 3ksm n GLU 215 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 3ksm n GLU 215 Cb 0.09 -1.20 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 3ksm n GLU 215 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3ksm n LEU 217 N 0.40 0.00 -0.02 4.31 4.77 -0.50 -1.92 117.00 124.05 3ksm n LEU 217 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3ksm n LEU 217 Cb 0.11 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3ksm n LEU 217 CO 0.00 0.00 0.89 -0.09 -1.33 0.00 0.00 177.39 176.86 3ksm h ARG 218 N 0.00 0.10 -0.92 3.23 2.43 -1.73 -2.12 114.38 115.36 3ksm h ARG 218 Ca 0.00 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3ksm h ARG 218 Cb 0.00 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 3ksm h ARG 218 CO 0.00 0.07 0.61 -0.07 -1.51 0.00 0.00 179.97 179.07 3ksm h LEU 219 N 0.10 1.04 -0.81 3.80 3.38 -1.67 0.02 115.31 121.17 3ksm h LEU 219 Ca 0.06 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3ksm h LEU 219 Cb 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ksm h LEU 219 CO -0.07 0.74 -0.27 -0.07 0.09 0.00 0.00 178.44 178.85 3ksm h LEU 220 N 1.22 0.60 -0.07 1.67 3.38 -1.79 -1.37 115.31 118.93 3ksm h LEU 220 Ca 0.35 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 3ksm h LEU 220 Cb -0.09 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ksm h LEU 220 CO -0.09 0.85 -0.56 0.11 0.09 0.00 0.00 178.44 178.83 3ksm h LYS 221 N 0.51 0.51 0.00 1.13 1.57 -1.08 -3.37 116.57 115.85 3ksm h LYS 221 Ca 0.07 -0.45 -0.09 0.00 -1.87 0.00 0.00 60.65 58.30 3ksm h LYS 221 Cb 0.73 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3ksm h LYS 221 CO 0.06 1.09 -0.71 0.93 -0.57 0.00 0.00 179.45 180.24 3ksm h GLU 222 N 0.09 0.00 -5.62 3.15 5.08 -0.94 -3.45 114.58 112.89 3ksm h GLU 222 Ca -0.05 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.72 3ksm h GLU 222 Cb 1.23 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.38 3ksm h GLU 222 CO 0.11 0.30 -0.04 0.99 -1.00 0.00 0.00 179.01 179.38 3ksm s THR 223 N -3.04 5.11 0.16 1.13 2.01 -0.52 -4.98 115.64 115.51 3ksm s THR 223 Ca 0.02 1.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.87 3ksm s THR 223 Cb 0.08 -3.85 0.04 0.00 0.01 0.00 0.00 72.50 68.78 3ksm s THR 223 CO 0.76 0.21 1.75 -0.65 -0.69 0.00 0.00 174.62 175.99 3ksm h PRO 224 N 7.26 0.30 -3.07 4.92 0.11 -1.89 -3.43 132.00 136.20 3ksm h PRO 224 Ca -0.35 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.52 3ksm h PRO 224 Cb 1.16 -0.07 -0.31 0.00 0.11 0.00 0.00 31.00 31.89 3ksm h PRO 224 CO 0.75 0.20 -0.53 -0.08 -0.21 0.00 0.00 178.00 178.13 3ksm s THR 225 N -6.15 -0.10 -0.16 -1.15 -1.32 -1.26 -5.13 115.64 100.38 3ksm s THR 225 Ca -0.13 0.19 -0.00 0.00 -1.21 0.00 0.00 61.69 60.53 3ksm s THR 225 Cb 0.13 -0.35 -0.01 0.00 -1.51 0.00 0.00 72.50 70.77 3ksm s THR 225 CO 0.72 0.08 -0.13 -0.63 -2.21 0.00 0.00 174.62 172.44 3ksm s ILE 226 N 1.43 2.85 -0.05 5.08 1.01 -1.26 -4.75 121.20 125.52 3ksm s ILE 226 Ca -0.07 -0.71 0.17 0.00 0.00 0.00 0.00 60.65 60.04 3ksm s ILE 226 Cb -0.11 -2.21 -0.26 0.00 0.01 0.00 0.00 42.46 39.89 3ksm s ILE 226 CO -0.08 0.51 0.33 0.47 0.00 0.00 0.00 174.94 176.17 3ksm n ASP 227 N 4.01 1.03 -3.67 3.58 8.00 0.12 -4.77 116.55 124.84 3ksm n ASP 227 Ca -0.19 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.16 3ksm n ASP 227 Cb 0.52 1.64 -0.08 0.00 -0.02 0.00 0.00 41.12 43.18 3ksm n ASP 227 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ksm s GLY 228 N -4.17 -0.31 -0.00 0.44 0.00 -0.85 -2.25 107.32 100.18 3ksm s GLY 228 Ca -0.07 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.35 3ksm s GLY 228 CO 0.71 0.43 -0.03 -2.27 0.00 0.00 0.00 173.10 171.94 3ksm s LEU 229 N -1.27 2.01 -0.04 0.66 2.96 0.05 -0.56 118.68 122.47 3ksm s LEU 229 Ca -0.13 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3ksm s LEU 229 Cb -0.03 -0.16 -0.00 0.00 0.50 0.00 0.00 46.19 46.49 3ksm s LEU 229 CO 0.06 0.04 -0.18 0.12 -1.32 0.00 0.00 176.35 175.07 3ksm s PHE 230 N -0.08 1.82 -0.12 5.38 5.36 -0.72 -1.30 117.98 128.31 3ksm s PHE 230 Ca 0.01 -0.52 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 3ksm s PHE 230 Cb -0.01 -1.21 0.01 0.00 -0.34 0.00 0.00 43.02 41.47 3ksm s PHE 230 CO -0.00 -0.17 -0.17 0.95 -1.46 0.00 0.00 175.22 174.37 3ksm s THR 231 N -0.01 1.68 -2.12 0.12 -4.23 -0.90 -1.74 115.64 108.44 3ksm s THR 231 Ca -0.03 -0.75 0.15 0.00 -1.18 0.00 0.00 61.69 59.88 3ksm s THR 231 Cb -0.12 -1.52 0.37 0.00 1.34 0.00 0.00 72.50 72.58 3ksm s THR 231 CO 0.02 0.48 1.39 -0.81 -0.54 0.00 0.00 174.62 175.15 3ksm n PRO 232 N 4.16 1.76 -3.81 3.99 -0.04 -1.26 -2.93 135.00 136.87 3ksm n PRO 232 Ca -0.19 -1.16 -0.08 0.00 -0.04 0.00 0.00 63.50 62.02 3ksm n PRO 232 Cb 0.51 -1.32 0.02 0.00 -0.04 0.00 0.00 33.50 32.67 3ksm n PRO 232 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ksm s ASN 233 N -1.25 -0.01 0.11 3.54 4.22 -1.26 -4.83 114.94 115.46 3ksm s ASN 233 Ca 0.27 -1.10 -0.21 0.00 -2.14 0.00 0.00 52.86 49.68 3ksm s ASN 233 Cb 0.14 0.84 -0.07 0.00 1.28 0.00 0.00 41.25 43.43 3ksm s ASN 233 CO 0.20 -1.65 1.72 -0.08 -2.04 0.00 0.00 177.10 175.25 3ksm h GLU 234 N 2.00 0.01 -0.49 3.55 4.81 -1.88 -1.11 114.58 121.47 3ksm h GLU 234 Ca -0.31 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 3ksm h GLU 234 Cb 1.25 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3ksm h GLU 234 CO 0.39 0.01 -0.02 0.77 -0.73 0.00 0.00 179.01 179.43 3ksm h SER 235 N 0.01 0.86 -0.43 1.04 0.02 -1.88 -0.68 113.55 112.49 3ksm h SER 235 Ca 0.06 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.59 3ksm h SER 235 Cb 0.09 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3ksm h SER 235 CO -0.12 0.97 -0.10 0.71 -1.14 0.00 0.00 176.83 177.15 3ksm h THR 236 N 0.73 1.26 -0.11 -2.27 1.35 -1.85 -0.77 112.91 111.24 3ksm h THR 236 Ca 0.14 -1.20 -0.01 0.00 -0.55 0.00 0.00 66.41 64.78 3ksm h THR 236 Cb 0.54 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3ksm h THR 236 CO 0.03 0.42 0.03 0.74 -0.25 0.00 0.00 175.52 176.49 3ksm h THR 237 N 0.79 1.19 -0.38 6.82 2.02 -0.91 -0.72 112.91 121.73 3ksm h THR 237 Ca 0.13 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 3ksm h THR 237 Cb 0.62 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3ksm h THR 237 CO 0.04 0.17 0.17 0.40 0.37 0.00 0.00 175.52 176.67 3ksm h ILE 238 N -0.02 1.18 -0.47 3.11 2.04 -1.05 -0.56 117.51 121.75 3ksm h ILE 238 Ca 0.04 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3ksm h ILE 238 Cb 0.25 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3ksm h ILE 238 CO 0.00 0.20 0.26 1.23 0.00 0.00 0.00 178.15 179.83 3ksm h GLY 239 N 0.47 0.70 0.97 5.37 0.00 -1.11 -1.75 103.07 107.71 3ksm h GLY 239 Ca 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3ksm h GLY 239 CO -0.01 0.30 0.23 0.00 0.00 0.00 0.00 176.54 177.06 3ksm h ALA 240 N 1.10 0.62 -0.46 3.60 0.00 -0.97 -2.21 119.26 120.95 3ksm h ALA 240 Ca 0.16 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3ksm h ALA 240 Cb 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3ksm h ALA 240 CO -0.03 0.19 0.12 1.25 0.00 0.00 0.00 179.25 180.78 3ksm h LEU 241 N 0.64 0.07 -0.53 0.00 5.85 -0.72 0.11 115.31 120.72 3ksm h LEU 241 Ca 0.17 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3ksm h LEU 241 Cb 0.12 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3ksm h LEU 241 CO -0.02 0.07 0.03 0.58 -0.34 0.00 0.00 178.44 178.77 3ksm h VAL 242 N 0.27 1.26 -0.40 1.05 2.07 -1.27 -1.48 116.25 117.75 3ksm h VAL 242 Ca 0.22 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 3ksm h VAL 242 Cb 0.26 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3ksm h VAL 242 CO -0.27 0.37 0.19 0.00 0.02 0.00 0.00 177.57 177.89 3ksm h ALA 243 N 0.96 0.52 -0.30 1.67 0.00 -0.98 -1.00 119.26 120.13 3ksm h ALA 243 Ca 0.16 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ksm h ALA 243 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ksm h ALA 243 CO 0.02 0.09 0.16 0.82 0.00 0.00 0.00 179.25 180.34 3ksm h ILE 244 N 0.51 1.01 -0.33 0.00 2.04 -0.52 -0.55 117.51 119.67 3ksm h ILE 244 Ca 0.14 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.90 3ksm h ILE 244 Cb 0.12 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3ksm h ILE 244 CO -0.02 0.06 0.17 0.03 0.00 0.00 0.00 178.15 178.40 3ksm h ARG 245 N 0.33 0.35 0.00 2.37 3.08 -1.20 -2.58 114.38 116.74 3ksm h ARG 245 Ca 0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3ksm h ARG 245 Cb 0.02 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3ksm h ARG 245 CO -0.07 0.23 -0.06 1.96 -1.07 0.00 0.00 179.97 180.96 3ksm h GLN 246 N 0.36 0.00 -0.01 0.04 4.20 -0.81 -2.14 115.11 116.75 3ksm h GLN 246 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3ksm h GLN 246 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3ksm h GLN 246 CO -0.09 0.06 -0.25 0.43 -0.67 0.00 0.00 178.83 178.31 3ksm n SER 247 N -3.23 1.02 -2.14 1.46 7.64 -0.25 -5.08 113.62 113.04 3ksm n SER 247 Ca -0.00 -0.89 -0.04 0.00 1.01 0.00 0.00 58.87 58.95 3ksm n SER 247 Cb 0.28 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 3ksm n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ksm n GLY 248 N 1.33 -0.98 0.00 0.23 0.00 -0.81 -5.07 105.19 99.89 3ksm n GLY 248 Ca 0.12 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3ksm n GLY 248 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ksm n SER 250 N -0.43 -0.04 -0.63 1.61 7.64 -1.25 -5.04 113.62 115.48 3ksm n SER 250 Ca 0.06 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.85 3ksm n SER 250 Cb 0.22 0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 3ksm n SER 250 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ksm n LYS 251 N 2.14 -0.93 0.05 1.43 5.02 -1.26 -4.89 118.16 119.71 3ksm n LYS 251 Ca 0.00 0.72 0.11 0.00 -2.02 0.00 0.00 58.31 57.13 3ksm n LYS 251 Cb 0.00 -4.69 -0.02 0.00 -0.02 0.00 0.00 35.03 30.30 3ksm n LYS 251 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3ksm n GLN 252 N -2.04 0.50 -3.97 1.97 6.02 -1.26 -4.98 117.38 113.62 3ksm n GLN 252 Ca -0.08 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.82 3ksm n GLN 252 Cb 0.36 -1.68 -0.07 0.00 1.02 0.00 0.00 30.24 29.87 3ksm n GLN 252 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3ksm s PHE 253 N -3.34 0.42 0.30 1.08 -0.12 -1.26 -5.00 117.98 110.06 3ksm s PHE 253 Ca -0.01 -0.78 -0.29 0.00 -0.05 0.00 0.00 56.93 55.80 3ksm s PHE 253 Cb 0.12 -0.08 -0.10 0.00 -0.63 0.00 0.00 43.02 42.33 3ksm s PHE 253 CO 0.82 -0.70 1.41 0.20 -0.05 0.00 0.00 175.22 176.89 3ksm s GLY 254 N -2.97 2.64 -0.24 1.99 0.00 -0.95 -4.89 107.32 102.90 3ksm s GLY 254 Ca 0.17 1.35 -0.03 0.00 0.00 0.00 0.00 44.72 46.22 3ksm s GLY 254 CO -0.00 2.16 0.28 -0.12 0.00 0.00 0.00 173.10 175.42 3ksm s PHE 255 N -0.56 -0.46 -0.24 1.90 5.36 -1.26 -0.77 117.98 121.95 3ksm s PHE 255 Ca 0.55 0.25 -0.10 0.00 -0.96 0.00 0.00 56.93 56.66 3ksm s PHE 255 Cb -0.42 -0.30 -0.05 0.00 -0.34 0.00 0.00 43.02 41.91 3ksm s PHE 255 CO 0.50 -0.72 0.16 0.42 -1.46 0.00 0.00 175.22 174.11 3ksm s ILE 256 N 2.39 5.35 0.39 3.12 -1.09 -0.42 -0.18 121.20 130.75 3ksm s ILE 256 Ca 0.09 0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.72 3ksm s ILE 256 Cb -0.15 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 3ksm s ILE 256 CO -0.19 0.35 0.28 0.61 -1.23 0.00 0.00 174.94 174.76 3ksm n GLY 257 N 4.26 2.87 2.88 6.18 0.00 -0.41 -2.11 105.19 118.85 3ksm n GLY 257 Ca -0.15 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 3ksm n GLY 257 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ksm s PHE 258 N -1.94 -0.02 0.02 1.61 5.36 -1.15 -1.10 117.98 120.77 3ksm s PHE 258 Ca 0.21 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.27 3ksm s PHE 258 Cb -0.02 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 3ksm s PHE 258 CO 0.13 -0.03 0.00 -0.25 -1.46 0.00 0.00 175.22 173.61 3ksm n ASP 259 N 3.30 -0.42 -3.91 6.13 8.00 0.56 -2.89 116.55 127.31 3ksm n ASP 259 Ca -0.15 0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.29 3ksm n ASP 259 Cb 0.58 -0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 41.34 3ksm n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ksm s GLN 260 N -2.06 0.36 0.25 -1.24 -2.07 -1.26 -4.78 119.66 108.85 3ksm s GLN 260 Ca 0.00 -0.41 -0.06 0.00 -1.82 0.00 0.00 55.36 53.06 3ksm s GLN 260 Cb 0.00 0.14 -0.02 0.00 -1.09 0.00 0.00 33.01 32.05 3ksm s GLN 260 CO 0.00 -0.07 0.35 0.95 -1.32 0.00 0.00 175.29 175.19 3ksm s THR 261 N -1.22 0.00 0.24 3.63 -4.23 -1.26 -4.87 115.64 107.93 3ksm s THR 261 Ca -0.13 -1.67 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 3ksm s THR 261 Cb -0.08 -2.39 0.21 0.00 1.34 0.00 0.00 72.50 71.58 3ksm s THR 261 CO 0.00 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 175.84 3ksm h GLU 262 N 2.35 0.87 -0.36 3.99 4.81 -2.01 0.18 114.58 124.40 3ksm h GLU 262 Ca -0.30 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 3ksm h GLU 262 Cb 1.25 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3ksm h GLU 262 CO 0.42 0.57 0.19 0.93 -0.73 0.00 0.00 179.01 180.39 3ksm h GLU 263 N 0.89 0.51 -0.53 1.92 5.08 -1.99 -1.63 114.58 118.83 3ksm h GLU 263 Ca 0.37 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.54 3ksm h GLU 263 Cb 0.22 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3ksm h GLU 263 CO -0.19 0.44 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.05 3ksm h LEU 264 N 0.45 1.03 -0.24 1.33 3.38 -1.82 -2.00 115.31 117.45 3ksm h LEU 264 Ca 0.13 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ksm h LEU 264 Cb 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3ksm h LEU 264 CO -0.02 1.15 0.14 -0.33 0.09 0.00 0.00 178.44 179.47 3ksm h GLU 265 N 0.90 0.32 -0.27 1.13 5.08 -0.87 -2.94 114.58 117.94 3ksm h GLU 265 Ca 0.13 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3ksm h GLU 265 Cb 0.71 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3ksm h GLU 265 CO 0.05 0.27 0.01 0.00 -1.00 0.00 0.00 179.01 178.35 3ksm h ALA 266 N 1.03 0.24 0.00 3.43 0.00 -1.25 0.45 119.26 123.16 3ksm h ALA 266 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ksm h ALA 266 Cb 0.04 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ksm h ALA 266 CO -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3ksm n ALA 267 N -2.39 0.77 0.00 0.00 0.00 -0.76 -1.11 120.51 117.02 3ksm n ALA 267 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ksm n ALA 267 Cb 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3ksm n ALA 267 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ksm n TYR 269 N 0.44 0.00 0.52 0.00 4.01 0.15 -1.11 117.16 121.16 3ksm n TYR 269 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 3ksm n TYR 269 Cb 0.00 0.00 0.45 0.00 -0.31 0.00 0.00 39.34 39.48 3ksm n TYR 269 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ksm n ALA 270 N 0.00 1.97 -0.74 -0.72 0.00 -0.27 -4.92 120.51 115.84 3ksm n ALA 270 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ksm n ALA 270 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3ksm n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksm n GLY 271 N 0.66 0.62 0.11 0.00 0.00 -1.04 -4.95 105.19 100.60 3ksm n GLY 271 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3ksm n GLY 271 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ksm h GLU 272 N 1.68 0.23 -5.46 1.61 5.08 -1.46 -3.41 114.58 112.85 3ksm h GLU 272 Ca 0.00 -0.33 -0.67 0.00 -1.00 0.00 0.00 59.36 57.36 3ksm h GLU 272 Cb 0.00 0.11 -0.28 0.00 0.50 0.00 0.00 28.75 29.08 3ksm h GLU 272 CO 0.00 1.11 -0.80 0.42 -1.00 0.00 0.00 179.01 178.73 3ksm s ILE 273 N -2.89 2.74 0.17 3.13 1.01 -1.12 -4.51 121.20 119.72 3ksm s ILE 273 Ca -0.03 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 3ksm s ILE 273 Cb 0.08 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 3ksm s ILE 273 CO 0.86 0.54 1.54 0.28 0.00 0.00 0.00 174.94 178.16 3ksm h SER 274 N 6.54 0.96 -4.79 3.58 0.02 -0.84 -3.44 113.55 115.57 3ksm h SER 274 Ca -0.26 -0.39 0.10 0.00 -0.84 0.00 0.00 61.79 60.40 3ksm h SER 274 Cb 1.21 -0.27 -0.14 0.00 0.14 0.00 0.00 62.40 63.35 3ksm h SER 274 CO 0.52 1.18 0.45 0.21 -1.14 0.00 0.00 176.83 178.06 3ksm s ASN 275 N -6.78 -0.36 -0.09 3.07 3.84 -1.17 -5.00 114.94 108.45 3ksm s ASN 275 Ca -0.11 -0.07 0.04 0.00 0.21 0.00 0.00 52.86 52.93 3ksm s ASN 275 Cb 0.12 0.43 0.00 0.00 -0.55 0.00 0.00 41.25 41.25 3ksm s ASN 275 CO 0.87 -0.71 -0.21 -0.76 -2.79 0.00 0.00 177.10 173.49 3ksm s LEU 276 N -2.59 1.98 -0.15 3.21 1.43 -1.26 -1.29 118.68 120.01 3ksm s LEU 276 Ca 0.06 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.39 3ksm s LEU 276 Cb -0.01 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3ksm s LEU 276 CO -0.08 0.14 0.95 -0.69 0.23 0.00 0.00 176.35 176.90 3ksm s VAL 277 N 0.37 4.80 -0.02 -1.59 1.01 -0.25 -0.44 120.40 124.27 3ksm s VAL 277 Ca -0.17 1.90 0.06 0.00 0.00 0.00 0.00 61.98 63.77 3ksm s VAL 277 Cb -0.17 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 3ksm s VAL 277 CO 0.07 -0.02 -0.20 0.68 0.00 0.00 0.00 175.10 175.63 3ksm s VAL 278 N 2.27 1.61 0.52 2.92 -7.23 0.04 -0.32 120.40 120.21 3ksm s VAL 278 Ca 0.44 -0.87 -0.00 0.00 -1.81 0.00 0.00 61.98 59.74 3ksm s VAL 278 Cb -0.17 -1.35 0.10 0.00 0.56 0.00 0.00 36.38 35.53 3ksm s VAL 278 CO 0.14 0.46 0.71 0.00 -0.31 0.00 0.00 175.10 176.10 3ksm n GLN 279 N 2.65 0.08 -3.44 4.82 6.02 -1.26 -2.12 117.38 124.12 3ksm n GLN 279 Ca -0.16 -1.91 -0.29 0.00 -0.01 0.00 0.00 57.00 54.64 3ksm n GLN 279 Cb 0.53 -0.48 -0.08 0.00 1.02 0.00 0.00 30.24 31.23 3ksm n GLN 279 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3ksm n ASN 280 N -2.95 3.93 -0.24 1.08 5.03 -1.26 -4.96 115.26 115.90 3ksm n ASN 280 Ca 0.12 -3.42 -0.03 0.00 0.87 0.00 0.00 54.58 52.12 3ksm n ASN 280 Cb 0.42 -0.74 0.16 0.00 -1.02 0.00 0.00 39.78 38.60 3ksm n ASN 280 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3ksm h PRO 281 N 4.44 1.05 0.18 3.52 0.13 -1.93 -2.88 132.00 136.50 3ksm h PRO 281 Ca 0.19 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3ksm h PRO 281 Cb 0.67 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.60 3ksm h PRO 281 CO 0.87 0.80 -0.09 1.49 -0.23 0.00 0.00 178.00 180.84 3ksm h GLU 282 N 1.05 -0.24 -1.70 0.86 4.81 -1.89 -1.04 114.58 116.43 3ksm h GLU 282 Ca 0.26 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3ksm h GLU 282 Cb 0.09 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3ksm h GLU 282 CO -0.03 -0.11 0.00 0.98 -0.73 0.00 0.00 179.01 179.11 3ksm n TYR 283 N -5.17 0.00 0.00 0.92 9.36 -1.09 -1.85 117.16 119.33 3ksm n TYR 283 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.13 3ksm n TYR 283 Cb 0.14 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 3ksm n TYR 283 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3ksm n GLY 285 N 0.88 0.00 0.23 2.98 0.00 -0.39 -0.73 105.19 108.16 3ksm n GLY 285 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3ksm n GLY 285 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ksm h TYR 286 N 0.00 -0.47 -0.74 1.61 3.20 -1.27 -2.14 116.97 117.16 3ksm h TYR 286 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3ksm h TYR 286 Cb 0.00 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3ksm h TYR 286 CO 0.00 -0.28 0.35 -0.07 -1.64 0.00 0.00 178.16 176.53 3ksm h LEU 287 N -0.53 0.95 -0.75 2.82 3.38 -1.20 -2.33 115.31 117.65 3ksm h LEU 287 Ca -0.05 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3ksm h LEU 287 Cb 0.41 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3ksm h LEU 287 CO 0.09 0.81 0.49 0.00 0.09 0.00 0.00 178.44 179.91 3ksm h ALA 288 N 1.34 0.96 -0.30 1.53 0.00 -1.76 0.18 119.26 121.22 3ksm h ALA 288 Ca 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3ksm h ALA 288 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ksm h ALA 288 CO -0.03 0.33 0.12 0.28 0.00 0.00 0.00 179.25 179.95 3ksm h VAL 289 N 0.98 1.18 -0.87 0.00 2.07 -1.18 -0.53 116.25 117.90 3ksm h VAL 289 Ca 0.28 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3ksm h VAL 289 Cb -0.07 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3ksm h VAL 289 CO -0.08 0.19 0.47 1.56 0.02 0.00 0.00 177.57 179.73 3ksm h GLN 290 N 0.33 1.23 -0.52 1.57 4.20 -0.91 0.01 115.11 121.00 3ksm h GLN 290 Ca 0.10 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3ksm h GLN 290 Cb 0.19 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3ksm h GLN 290 CO -0.01 0.90 0.04 0.00 -0.67 0.00 0.00 178.83 179.09 3ksm h ARG 291 N 1.23 0.90 -0.67 1.46 2.47 -0.57 -1.34 114.38 117.86 3ksm h ARG 291 Ca 0.31 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3ksm h ARG 291 Cb 0.04 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 3ksm h ARG 291 CO -0.05 0.90 0.42 0.00 0.56 0.00 0.00 179.97 181.80 3ksm h ALA 292 N 0.96 0.85 -0.48 0.04 0.00 -0.75 -1.03 119.26 118.86 3ksm h ALA 292 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ksm h ALA 292 Cb 0.48 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ksm h ALA 292 CO 0.02 0.30 0.12 -0.07 0.00 0.00 0.00 179.25 179.62 3ksm h LEU 293 N 0.90 0.66 -0.44 0.00 3.38 -0.88 -0.81 115.31 118.13 3ksm h LEU 293 Ca 0.24 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3ksm h LEU 293 Cb -0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3ksm h LEU 293 CO -0.05 0.65 0.17 0.44 0.09 0.00 0.00 178.44 179.74 3ksm h ASP 294 N 0.70 0.61 -0.54 -0.43 3.32 -0.82 -0.88 116.42 118.36 3ksm h ASP 294 Ca 0.16 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.08 3ksm h ASP 294 Cb 0.25 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3ksm h ASP 294 CO -0.00 0.61 0.29 -0.07 -1.72 0.00 0.00 179.24 178.35 3ksm h LEU 295 N 0.56 0.43 -0.86 1.55 3.38 -0.82 0.30 115.31 119.85 3ksm h LEU 295 Ca 0.14 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3ksm h LEU 295 Cb 0.20 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3ksm h LEU 295 CO -0.01 0.29 0.57 0.58 0.09 0.00 0.00 178.44 179.96 3ksm h VAL 296 N 0.56 1.22 -0.02 1.22 2.07 -0.80 -2.64 116.25 117.86 3ksm h VAL 296 Ca 0.24 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3ksm h VAL 296 Cb 0.12 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3ksm h VAL 296 CO -0.15 0.21 -0.06 0.54 0.02 0.00 0.00 177.57 178.14 3ksm n ARG 297 N -4.49 1.68 -0.99 1.57 1.74 -0.37 -4.95 116.66 110.86 3ksm n ARG 297 Ca 0.09 -1.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 3ksm n ARG 297 Cb 0.01 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3ksm n ARG 297 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ksm n GLY 298 N 1.25 0.43 3.69 -0.13 0.00 0.76 -5.05 105.19 106.14 3ksm n GLY 298 Ca 0.17 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 3ksm n GLY 298 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ksm s LYS 299 N -1.98 4.34 0.54 1.61 2.20 0.49 -4.99 119.74 121.96 3ksm s LYS 299 Ca 0.00 0.82 -0.21 0.00 -0.36 0.00 0.00 55.97 56.22 3ksm s LYS 299 Cb 0.00 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 3ksm s LYS 299 CO 0.00 -0.11 1.24 -2.30 -0.36 0.00 0.00 175.35 173.82 3ksm n PRO 300 N 4.48 1.49 -4.39 4.03 -0.02 -1.26 -4.18 135.00 135.15 3ksm n PRO 300 Ca -0.00 0.55 -0.24 0.00 -2.02 0.00 0.00 63.50 61.79 3ksm n PRO 300 Cb 0.50 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.43 3ksm n PRO 300 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3ksm s ILE 301 N -1.33 2.14 0.57 4.25 -4.36 -1.26 -5.00 121.20 116.21 3ksm s ILE 301 Ca 0.72 -2.06 -0.20 0.00 -0.26 0.00 0.00 60.65 58.85 3ksm s ILE 301 Cb -0.43 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 3ksm s ILE 301 CO 0.49 -0.26 1.23 -2.16 0.24 0.00 0.00 174.94 174.48 3ksm s PRO 302 N -2.90 3.06 0.28 0.37 0.04 -1.26 -4.93 135.00 129.66 3ksm s PRO 302 Ca 0.20 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 3ksm s PRO 302 Cb -0.06 -2.02 0.38 0.00 0.04 0.00 0.00 34.50 32.83 3ksm s PRO 302 CO 0.09 -1.15 1.89 0.00 0.04 0.00 0.00 177.00 177.87 3ksm h ALA 303 N 1.08 1.28 -3.31 8.56 0.00 -1.91 -3.42 119.26 121.55 3ksm h ALA 303 Ca -0.50 -0.13 -0.51 0.00 0.00 0.00 0.00 54.91 53.77 3ksm h ALA 303 Cb 1.30 -0.30 -0.35 0.00 0.00 0.00 0.00 17.79 18.44 3ksm h ALA 303 CO 0.56 0.57 -0.80 0.12 0.00 0.00 0.00 179.25 179.69 3ksm s PHE 304 N -5.64 1.38 -0.34 0.00 5.36 -1.26 -0.46 117.98 117.02 3ksm s PHE 304 Ca -0.11 -0.58 -0.07 0.00 -0.96 0.00 0.00 56.93 55.20 3ksm s PHE 304 Cb 0.17 -1.09 0.03 0.00 -0.34 0.00 0.00 43.02 41.79 3ksm s PHE 304 CO 0.80 -0.37 0.12 0.99 -1.46 0.00 0.00 175.22 175.30 3ksm s THR 305 N 1.18 3.96 -0.35 0.12 2.01 0.70 -4.98 115.64 118.28 3ksm s THR 305 Ca -0.05 -1.03 -0.29 0.00 0.31 0.00 0.00 61.69 60.63 3ksm s THR 305 Cb -0.14 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.18 3ksm s THR 305 CO -0.02 -0.16 1.09 -0.62 -0.69 0.00 0.00 174.62 174.22 3ksm s ASP 306 N 1.44 6.88 0.00 3.53 -1.08 -1.26 -1.66 116.67 124.52 3ksm s ASP 306 Ca -0.00 0.95 0.26 0.00 -0.52 0.00 0.00 52.55 53.24 3ksm s ASP 306 Cb -0.19 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.47 3ksm s ASP 306 CO 0.04 -0.95 1.56 0.35 0.52 0.00 0.00 175.17 176.69 3ksm n THR 307 N 6.05 0.00 0.00 1.71 -2.24 -0.42 -4.97 114.28 114.41 3ksm n THR 307 Ca 0.12 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3ksm n THR 307 Cb 0.47 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3ksm n THR 307 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ksm n GLY 308 N 1.28 1.74 3.32 3.38 0.00 -1.26 -4.52 105.19 109.12 3ksm n GLY 308 Ca 0.15 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 3ksm n GLY 308 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksm s VAL 309 N -2.78 0.04 0.22 1.61 0.11 -1.26 -3.99 120.40 114.36 3ksm s VAL 309 Ca 0.00 -0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 58.53 3ksm s VAL 309 Cb 0.00 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 3ksm s VAL 309 CO 0.00 -0.20 0.50 0.00 -3.33 0.00 0.00 175.10 172.07 3ksm s ARG 310 N -1.49 1.44 0.15 1.54 1.70 -0.90 -5.00 118.95 116.40 3ksm s ARG 310 Ca -0.12 -1.04 -0.27 0.00 -0.47 0.00 0.00 55.73 53.84 3ksm s ARG 310 Cb -0.03 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.77 3ksm s ARG 310 CO 0.04 -0.61 0.83 -0.51 -1.08 0.00 0.00 175.30 173.98 3ksm s LEU 311 N -2.94 4.57 0.32 -1.89 1.43 -1.26 -0.78 118.68 118.13 3ksm s LEU 311 Ca 0.15 1.69 0.08 0.00 -1.03 0.00 0.00 54.13 55.02 3ksm s LEU 311 Cb -0.01 -3.38 0.54 0.00 0.03 0.00 0.00 46.19 43.37 3ksm s LEU 311 CO 0.02 0.13 1.75 0.25 0.23 0.00 0.00 176.35 178.73 3ksm h LEU 312 N 4.67 0.18 -9.00 1.79 5.85 -1.13 -3.45 115.31 114.23 3ksm h LEU 312 Ca -0.46 -0.07 -0.43 0.00 0.84 0.00 0.00 57.88 57.77 3ksm h LEU 312 Cb 1.21 -0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.04 3ksm h LEU 312 CO 0.68 0.55 -0.66 0.00 -0.34 0.00 0.00 178.44 178.67 3ksm s GLN 313 N -4.20 1.43 0.00 1.25 -2.07 -1.26 -5.05 119.66 109.76 3ksm s GLN 313 Ca -0.04 -1.73 0.18 0.00 -1.82 0.00 0.00 55.36 51.95 3ksm s GLN 313 Cb 0.14 -0.83 1.06 0.00 -1.09 0.00 0.00 33.01 32.29 3ksm s GLN 313 CO 0.76 -0.05 1.46 0.39 -1.32 0.00 0.00 175.29 176.53