#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1koq s HIS 6 N 0.00 3.21 0.05 4.78 2.46 -1.26 -5.03 115.29 119.50 1koq s HIS 6 Ca 0.00 1.52 -0.10 0.00 0.47 0.00 0.00 55.06 56.95 1koq s HIS 6 Cb 0.00 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.93 1koq s HIS 6 CO 0.00 -1.40 0.20 1.67 -2.47 0.00 0.00 174.74 172.74 1koq s TRP 7 N -1.18 0.06 0.00 3.88 1.48 -1.26 -4.98 118.94 116.94 1koq s TRP 7 Ca 0.48 -0.30 0.00 0.00 -1.06 0.00 0.00 56.10 55.22 1koq s TRP 7 Cb -0.36 -0.02 0.00 0.00 -1.16 0.00 0.00 33.47 31.92 1koq s TRP 7 CO 0.48 -0.45 0.00 0.41 -4.06 0.00 0.00 176.95 173.32 1koq n GLY 8 N 0.56 3.70 0.05 3.67 0.00 -0.32 -5.04 105.19 107.81 1koq n GLY 8 Ca -0.18 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 44.86 1koq n GLY 8 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1koq n TYR 9 N 0.00 0.00 -4.24 1.61 4.02 -1.26 -3.65 117.16 113.64 1koq n TYR 9 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1koq n TYR 9 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 1koq n TYR 9 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1koq s THR 10 N -0.96 0.48 0.00 -0.72 -4.23 -1.26 -4.68 115.64 104.27 1koq s THR 10 Ca 0.02 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1koq s THR 10 Cb 0.03 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.57 1koq s THR 10 CO 0.11 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1koq n GLY 11 N -0.29 0.91 0.47 3.99 0.00 -1.26 -3.34 105.19 105.68 1koq n GLY 11 Ca -0.04 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.30 1koq n GLY 11 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1koq n HIS 12 N 8.36 0.15 -0.27 1.61 8.25 -1.26 -3.64 115.22 128.41 1koq n HIS 12 Ca 0.00 -0.07 0.06 0.00 -0.26 0.00 0.00 57.72 57.45 1koq n HIS 12 Cb 0.00 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.28 1koq n HIS 12 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1koq n ASP 13 N 0.16 3.06 -4.62 0.41 8.00 -1.21 -4.88 116.55 117.47 1koq n ASP 13 Ca 0.17 -2.12 -0.33 0.00 0.71 0.00 0.00 54.79 53.22 1koq n ASP 13 Cb 0.30 -0.27 0.14 0.00 -0.02 0.00 0.00 41.12 41.27 1koq n ASP 13 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1koq n SER 14 N 0.41 0.08 -0.41 -2.24 3.41 -1.24 -1.18 113.62 112.47 1koq n SER 14 Ca 0.13 0.48 0.34 0.00 -0.26 0.00 0.00 58.87 59.56 1koq n SER 14 Cb 0.49 -1.43 0.65 0.00 -0.26 0.00 0.00 64.21 63.66 1koq n SER 14 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1koq h PRO 15 N -1.35 0.15 0.00 4.33 0.11 -1.83 0.15 132.00 133.56 1koq h PRO 15 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1koq h PRO 15 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1koq h PRO 15 CO 0.42 0.10 0.00 1.05 -0.21 0.00 0.00 178.00 179.36 1koq h GLU 16 N 0.15 0.00 -0.01 1.05 4.11 -1.94 -3.05 114.58 114.89 1koq h GLU 16 Ca 0.70 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.13 1koq h GLU 16 Cb 2.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.55 1koq h GLU 16 CO -0.24 0.00 -0.23 0.43 0.07 0.00 0.00 179.01 179.04 1koq n SER 17 N -2.98 1.33 -0.31 3.06 7.64 0.53 -4.69 113.62 118.20 1koq n SER 17 Ca -0.01 -1.16 0.11 0.00 1.01 0.00 0.00 58.87 58.82 1koq n SER 17 Cb 0.17 0.46 0.28 0.00 -1.01 0.00 0.00 64.21 64.11 1koq n SER 17 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1koq h TRP 18 N 1.30 0.73 0.00 1.43 6.55 -1.51 -0.36 115.95 124.08 1koq h TRP 18 Ca 0.00 0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.86 1koq h TRP 18 Cb 0.39 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1koq h TRP 18 CO 0.00 0.05 -0.10 0.78 -1.05 0.00 0.00 178.44 178.12 1koq h GLY 19 N 0.50 0.00 0.30 1.49 0.00 -1.83 -2.38 103.07 101.16 1koq h GLY 19 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1koq h GLY 19 CO -0.46 0.00 -0.40 0.70 0.00 0.00 0.00 176.54 176.38 1koq n ASN 20 N -3.63 0.98 -0.02 0.19 4.13 -0.17 -4.28 115.26 112.46 1koq n ASN 20 Ca -0.02 -0.79 -0.15 0.00 1.68 0.00 0.00 54.58 55.30 1koq n ASN 20 Cb 0.21 0.27 -0.10 0.00 -1.54 0.00 0.00 39.78 38.61 1koq n ASN 20 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1koq h LEU 21 N 0.91 0.31 -7.49 3.41 3.38 -1.18 -3.47 115.31 111.18 1koq h LEU 21 Ca 0.00 -0.71 -0.11 0.00 0.09 0.00 0.00 57.88 57.15 1koq h LEU 21 Cb 0.53 -0.09 -0.19 0.00 0.09 0.00 0.00 40.66 40.99 1koq h LEU 21 CO 0.00 0.97 -0.24 -0.94 0.09 0.00 0.00 178.44 178.32 1koq s SER 22 N -6.35 -0.21 0.57 -0.43 1.04 -1.25 -4.96 113.70 102.10 1koq s SER 22 Ca -0.15 0.07 0.25 0.00 0.48 0.00 0.00 55.95 56.60 1koq s SER 22 Cb 0.02 0.33 1.62 0.00 0.10 0.00 0.00 66.02 68.09 1koq s SER 22 CO 0.76 -0.49 2.21 1.05 0.98 0.00 0.00 173.24 177.75 1koq h GLU 23 N 3.70 0.00 0.00 4.02 4.11 -1.91 -1.50 114.58 123.00 1koq h GLU 23 Ca -0.30 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.09 1koq h GLU 23 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1koq h GLU 23 CO 0.41 0.00 -0.20 1.05 0.07 0.00 0.00 179.01 180.34 1koq h GLU 24 N 0.00 0.00 -0.39 1.06 4.11 -1.96 -2.62 114.58 114.78 1koq h GLU 24 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1koq h GLU 24 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1koq h GLU 24 CO -0.00 0.20 0.00 1.19 0.07 0.00 0.00 179.01 180.47 1koq n PHE 25 N -3.37 0.51 -0.31 2.06 3.72 -0.57 -4.49 117.46 115.02 1koq n PHE 25 Ca 0.00 -0.26 0.14 0.00 -0.05 0.00 0.00 57.45 57.28 1koq n PHE 25 Cb 0.41 0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.33 1koq n PHE 25 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1koq h ARG 26 N 2.48 0.66 0.00 -1.08 9.65 -1.49 -0.91 114.38 123.69 1koq h ARG 26 Ca 0.00 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1koq h ARG 26 Cb 0.56 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1koq h ARG 26 CO 0.00 0.43 -0.00 1.25 2.80 0.00 0.00 179.97 184.45 1koq h LEU 27 N 0.68 0.00 -1.67 3.80 5.85 -1.79 -2.28 115.31 119.90 1koq h LEU 27 Ca 0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1koq h LEU 27 Cb 0.90 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1koq h LEU 27 CO -0.27 0.00 0.20 0.00 -0.34 0.00 0.00 178.44 178.03 1koq n SER 29 N -4.48 1.73 -0.00 0.00 3.41 -0.90 -4.61 113.62 108.76 1koq n SER 29 Ca 0.02 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.73 1koq n SER 29 Cb 0.07 1.50 -0.14 0.00 -0.26 0.00 0.00 64.21 65.39 1koq n SER 29 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1koq n THR 30 N -2.09 0.00 -1.95 6.66 -2.24 -0.95 -5.00 114.28 108.71 1koq n THR 30 Ca -0.06 -0.20 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 1koq n THR 30 Cb 0.48 0.62 0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1koq n THR 30 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1koq s GLY 31 N -3.55 2.84 0.00 3.38 0.00 -0.20 -4.95 107.32 104.84 1koq s GLY 31 Ca 0.02 1.17 0.11 0.00 0.00 0.00 0.00 44.72 46.02 1koq s GLY 31 CO 0.87 1.65 0.82 0.28 0.00 0.00 0.00 173.10 176.72 1koq n LYS 32 N -0.97 0.88 -2.67 2.90 4.76 -1.26 -4.56 118.16 117.23 1koq n LYS 32 Ca 0.10 -1.07 -0.18 0.00 -2.87 0.00 0.00 58.31 54.28 1koq n LYS 32 Cb 0.47 -1.20 0.01 0.00 -1.84 0.00 0.00 35.03 32.46 1koq n LYS 32 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1koq n ASN 33 N 0.47 2.89 -4.90 4.39 4.13 -1.26 -4.71 115.26 116.27 1koq n ASN 33 Ca 0.06 -3.21 -0.28 0.00 1.68 0.00 0.00 54.58 52.83 1koq n ASN 33 Cb 0.28 -0.52 -0.01 0.00 -1.54 0.00 0.00 39.78 37.99 1koq n ASN 33 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1koq s GLN 34 N -3.24 3.58 0.17 3.52 -1.52 -1.26 -3.07 119.66 117.83 1koq s GLN 34 Ca 0.38 0.23 0.09 0.00 -1.95 0.00 0.00 55.36 54.11 1koq s GLN 34 Cb 0.41 -2.39 -0.04 0.00 -0.22 0.00 0.00 33.01 30.77 1koq s GLN 34 CO -0.08 -0.16 -0.19 -1.12 -0.25 0.00 0.00 175.29 173.49 1koq s SER 35 N -3.93 2.74 0.94 5.90 0.01 -1.26 -4.60 113.70 113.49 1koq s SER 35 Ca 0.48 -0.86 -0.14 0.00 1.31 0.00 0.00 55.95 56.73 1koq s SER 35 Cb -0.10 -0.17 0.20 0.00 0.21 0.00 0.00 66.02 66.16 1koq s SER 35 CO 0.42 -0.03 1.29 -2.16 0.41 0.00 0.00 173.24 173.18 1koq s PRO 36 N -2.80 0.67 0.15 12.44 0.04 -1.26 -4.45 135.00 139.79 1koq s PRO 36 Ca 0.16 -0.58 -0.01 0.00 0.04 0.00 0.00 61.00 60.62 1koq s PRO 36 Cb -0.06 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1koq s PRO 36 CO 0.07 -2.35 0.07 0.14 0.04 0.00 0.00 177.00 174.97 1koq s VAL 37 N -3.81 0.10 -0.43 -0.36 -7.23 -1.26 0.28 120.40 107.69 1koq s VAL 37 Ca 0.74 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.85 1koq s VAL 37 Cb -0.03 -2.14 0.06 0.00 0.56 0.00 0.00 36.38 34.83 1koq s VAL 37 CO 0.52 -0.37 0.31 0.21 -0.31 0.00 0.00 175.10 175.46 1koq s ASN 38 N -3.08 5.92 -0.54 4.85 2.47 -1.26 -1.87 114.94 121.45 1koq s ASN 38 Ca 0.27 -1.27 -0.28 0.00 0.42 0.00 0.00 52.86 52.00 1koq s ASN 38 Cb 0.07 -2.10 0.01 0.00 -1.45 0.00 0.00 41.25 37.79 1koq s ASN 38 CO 0.04 -0.55 1.48 -0.63 -3.72 0.00 0.00 177.10 173.72 1koq s ILE 39 N 1.57 3.74 0.01 -5.21 1.01 0.99 -4.81 121.20 118.50 1koq s ILE 39 Ca 0.03 0.64 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 1koq s ILE 39 Cb -0.22 -4.32 -0.00 0.00 0.01 0.00 0.00 42.46 37.92 1koq s ILE 39 CO 0.06 -1.06 -0.02 0.35 0.00 0.00 0.00 174.94 174.27 1koq n THR 40 N 6.95 0.37 -3.47 2.92 -2.24 -1.26 -0.03 114.28 117.52 1koq n THR 40 Ca 0.14 0.18 -0.38 0.00 -2.27 0.00 0.00 64.05 61.72 1koq n THR 40 Cb 0.49 -1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 67.37 1koq n THR 40 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1koq s GLU 41 N -1.34 4.07 0.12 -0.78 -1.05 -1.26 -4.89 118.70 113.57 1koq s GLU 41 Ca -0.02 0.36 0.01 0.00 -0.15 0.00 0.00 54.97 55.17 1koq s GLU 41 Cb 0.00 -3.31 -0.04 0.00 -0.44 0.00 0.00 34.13 30.34 1koq s GLU 41 CO 0.03 0.48 -0.02 0.95 0.95 0.00 0.00 175.26 177.65 1koq s THR 42 N -0.38 0.51 -0.16 1.83 -4.23 -1.26 -4.48 115.64 107.47 1koq s THR 42 Ca 0.23 -1.93 -0.03 0.00 -1.18 0.00 0.00 61.69 58.78 1koq s THR 42 Cb -0.16 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 1koq s THR 42 CO 0.11 -0.69 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.76 1koq s VAL 43 N -3.75 3.74 -0.02 2.29 1.01 -0.03 -4.97 120.40 118.66 1koq s VAL 43 Ca 0.17 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1koq s VAL 43 Cb 0.06 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1koq s VAL 43 CO -0.02 0.48 1.20 -0.55 0.00 0.00 0.00 175.10 176.22 1koq s SER 44 N 0.54 7.06 0.15 3.32 0.15 -1.26 -1.61 113.70 122.05 1koq s SER 44 Ca -0.04 1.88 -0.06 0.00 0.70 0.00 0.00 55.95 58.44 1koq s SER 44 Cb -0.14 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.58 1koq s SER 44 CO 0.03 -0.54 0.19 -0.83 1.20 0.00 0.00 173.24 173.29 1koq s GLY 45 N 1.36 0.63 -1.21 9.45 0.00 -0.22 -4.92 107.32 112.41 1koq s GLY 45 Ca 0.57 -1.08 -0.15 0.00 0.00 0.00 0.00 44.72 44.05 1koq s GLY 45 CO 0.25 -1.03 1.49 0.54 0.00 0.00 0.00 173.10 174.35 1koq s LYS 46 N -3.99 4.02 0.37 2.90 1.02 -1.26 -4.79 119.74 118.01 1koq s LYS 46 Ca 0.19 -2.35 -0.25 0.00 0.02 0.00 0.00 55.97 53.58 1koq s LYS 46 Cb 0.05 -5.18 -0.09 0.00 -0.52 0.00 0.00 37.83 32.08 1koq s LYS 46 CO -0.00 -1.90 1.01 -0.51 -0.92 0.00 0.00 175.35 173.03 1koq s LEU 47 N 2.40 4.22 0.53 3.17 1.43 -1.26 -5.04 118.68 124.13 1koq s LEU 47 Ca 0.45 1.97 -0.19 0.00 -1.03 0.00 0.00 54.13 55.33 1koq s LEU 47 Cb -0.01 -4.11 -0.07 0.00 0.03 0.00 0.00 46.19 42.03 1koq s LEU 47 CO 0.01 -0.33 1.09 -2.16 0.23 0.00 0.00 176.35 175.20 1koq s PRO 48 N -2.32 3.50 0.56 1.29 0.04 -1.26 -5.02 135.00 131.79 1koq s PRO 48 Ca 0.55 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 1koq s PRO 48 Cb -0.21 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1koq s PRO 48 CO 0.27 -0.70 1.06 0.00 0.04 0.00 0.00 177.00 177.66 1koq s ALA 49 N -1.89 2.76 -0.13 8.56 0.00 -1.26 -4.93 121.76 124.88 1koq s ALA 49 Ca 0.70 0.50 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 1koq s ALA 49 Cb -0.21 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1koq s ALA 49 CO 0.25 -0.69 0.20 0.42 0.00 0.00 0.00 175.76 175.94 1koq s ILE 50 N -2.26 5.39 -0.28 0.00 1.01 -1.26 -4.45 121.20 119.35 1koq s ILE 50 Ca 0.66 0.34 0.02 0.00 0.00 0.00 0.00 60.65 61.66 1koq s ILE 50 Cb -0.17 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 38.87 1koq s ILE 50 CO 0.31 0.54 -0.07 -0.75 0.00 0.00 0.00 174.94 174.98 1koq s LYS 51 N -0.54 2.27 -0.15 2.79 2.47 -0.36 -4.98 119.74 121.24 1koq s LYS 51 Ca 0.15 -1.35 -0.06 0.00 -1.56 0.00 0.00 55.97 53.16 1koq s LYS 51 Cb -0.13 -2.99 -0.04 0.00 -1.46 0.00 0.00 37.83 33.21 1koq s LYS 51 CO 0.04 -0.60 0.04 0.14 0.16 0.00 0.00 175.35 175.13 1koq s VAL 52 N 1.14 4.62 -0.51 4.02 -7.23 -1.26 0.07 120.40 121.25 1koq s VAL 52 Ca -0.07 -0.11 0.04 0.00 -1.81 0.00 0.00 61.98 60.03 1koq s VAL 52 Cb -0.20 -3.04 0.17 0.00 0.56 0.00 0.00 36.38 33.87 1koq s VAL 52 CO -0.04 0.51 0.38 0.21 -0.31 0.00 0.00 175.10 175.85 1koq s ASN 53 N -0.05 2.79 0.09 4.85 3.84 0.15 -5.00 114.94 121.61 1koq s ASN 53 Ca 0.05 -3.25 0.03 0.00 0.21 0.00 0.00 52.86 49.90 1koq s ASN 53 Cb -0.12 -0.88 -0.04 0.00 -0.55 0.00 0.00 41.25 39.66 1koq s ASN 53 CO 0.01 -0.16 0.13 -0.31 -2.79 0.00 0.00 177.10 173.99 1koq s TYR 54 N -0.36 3.27 0.06 0.43 2.02 -1.26 -1.16 117.35 120.35 1koq s TYR 54 Ca 0.28 0.10 -0.06 0.00 -0.37 0.00 0.00 57.07 57.02 1koq s TYR 54 Cb -0.03 -1.63 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1koq s TYR 54 CO -0.16 0.54 0.12 -1.59 -1.57 0.00 0.00 175.55 172.89 1koq s LYS 55 N -2.59 0.72 0.01 -0.62 -2.85 -1.26 -4.76 119.74 108.39 1koq s LYS 55 Ca 0.31 -0.92 -0.33 0.00 -1.00 0.00 0.00 55.97 54.02 1koq s LYS 55 Cb -0.12 0.28 -0.12 0.00 -2.06 0.00 0.00 37.83 35.81 1koq s LYS 55 CO 0.24 -0.20 1.80 -0.35 0.10 0.00 0.00 175.35 176.94 1koq n PRO 56 N 0.26 2.30 -4.27 1.78 -0.04 -1.26 -4.48 135.00 129.29 1koq n PRO 56 Ca -0.16 0.84 -0.15 0.00 -0.04 0.00 0.00 63.50 63.99 1koq n PRO 56 Cb 0.61 -2.68 -0.10 0.00 -0.04 0.00 0.00 33.50 31.29 1koq n PRO 56 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1koq s SER 57 N 3.10 1.66 -0.79 3.54 0.01 0.20 -4.79 113.70 116.63 1koq s SER 57 Ca 0.87 -1.12 -0.23 0.00 1.31 0.00 0.00 55.95 56.78 1koq s SER 57 Cb -0.64 0.03 0.07 0.00 0.21 0.00 0.00 66.02 65.69 1koq s SER 57 CO 0.45 -0.45 1.13 -0.04 0.41 0.00 0.00 173.24 174.74 1koq s MET 58 N -3.83 3.30 0.35 12.44 -1.94 -1.26 0.41 119.30 128.78 1koq s MET 58 Ca 0.22 -0.97 0.08 0.00 -1.71 0.00 0.00 55.69 53.32 1koq s MET 58 Cb 0.05 -4.54 -0.04 0.00 2.01 0.00 0.00 34.83 32.30 1koq s MET 58 CO 0.04 -1.93 0.16 0.14 -0.01 0.00 0.00 175.02 173.42 1koq s VAL 59 N 4.22 2.95 -0.05 -6.03 -7.23 -1.26 -4.53 120.40 108.46 1koq s VAL 59 Ca 0.30 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1koq s VAL 59 Cb -0.10 -2.99 0.02 0.00 0.56 0.00 0.00 36.38 33.87 1koq s VAL 59 CO 0.04 -0.15 -0.06 1.51 -0.31 0.00 0.00 175.10 176.13 1koq s ASP 60 N -3.87 1.16 0.31 4.85 1.47 -1.05 -2.33 116.67 117.22 1koq s ASP 60 Ca 0.39 -0.16 -0.25 0.00 1.18 0.00 0.00 52.55 53.70 1koq s ASP 60 Cb -0.02 -0.53 -0.10 0.00 -0.34 0.00 0.00 42.92 41.93 1koq s ASP 60 CO 0.23 -0.04 0.92 -0.69 0.68 0.00 0.00 175.17 176.26 1koq s VAL 61 N 0.93 4.26 -0.03 2.11 1.01 -0.26 -1.54 120.40 126.88 1koq s VAL 61 Ca -0.11 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 1koq s VAL 61 Cb -0.14 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1koq s VAL 61 CO 0.00 0.14 0.09 -0.70 0.00 0.00 0.00 175.10 174.63 1koq s GLU 62 N -2.07 0.16 -0.35 2.72 2.12 0.16 -0.01 118.70 121.43 1koq s GLU 62 Ca 0.50 0.01 -0.03 0.00 0.36 0.00 0.00 54.97 55.81 1koq s GLU 62 Cb -0.18 0.07 0.07 0.00 0.26 0.00 0.00 34.13 34.35 1koq s GLU 62 CO 0.23 -0.03 0.09 1.21 -0.54 0.00 0.00 175.26 176.23 1koq s ASN 63 N -0.22 5.10 0.00 -1.70 3.84 0.19 -0.17 114.94 121.99 1koq s ASN 63 Ca -0.03 -1.52 0.23 0.00 0.21 0.00 0.00 52.86 51.76 1koq s ASN 63 Cb -0.02 -1.78 0.45 0.00 -0.55 0.00 0.00 41.25 39.35 1koq s ASN 63 CO 0.00 -0.37 1.42 -0.46 -2.79 0.00 0.00 177.10 174.89 1koq n ASN 64 N 4.65 3.29 0.00 -4.21 0.23 -1.15 -1.15 115.26 116.92 1koq n ASN 64 Ca -0.09 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 1koq n ASN 64 Cb 0.43 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1koq n ASN 64 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1koq n GLY 65 N 1.47 1.91 0.02 4.83 0.00 -1.26 -4.78 105.19 107.39 1koq n GLY 65 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 1koq n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1koq n HIS 66 N -2.00 0.00 -3.89 1.61 8.25 -1.26 -4.92 115.22 113.01 1koq n HIS 66 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1koq n HIS 66 Cb 0.00 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 30.84 1koq n HIS 66 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1koq s THR 67 N -2.30 0.00 -0.31 1.59 -1.32 -1.26 -4.86 115.64 107.18 1koq s THR 67 Ca -0.03 -0.49 -0.08 0.00 -1.21 0.00 0.00 61.69 59.87 1koq s THR 67 Cb 0.03 -2.83 0.01 0.00 -1.51 0.00 0.00 72.50 68.20 1koq s THR 67 CO 0.30 0.00 0.12 -0.63 -2.21 0.00 0.00 174.62 172.20 1koq s ILE 68 N -2.20 4.24 -0.07 5.08 -1.09 -1.26 -2.91 121.20 122.99 1koq s ILE 68 Ca 0.23 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 1koq s ILE 68 Cb -0.02 -3.21 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 1koq s ILE 68 CO 0.04 0.03 -0.17 -1.58 -1.23 0.00 0.00 174.94 172.03 1koq s GLN 69 N 1.54 2.75 -0.35 2.79 0.74 0.76 -3.37 119.66 124.52 1koq s GLN 69 Ca 0.03 -0.75 -0.10 0.00 0.05 0.00 0.00 55.36 54.59 1koq s GLN 69 Cb -0.17 -2.39 0.02 0.00 1.10 0.00 0.00 33.01 31.56 1koq s GLN 69 CO 0.04 0.45 0.18 0.08 -0.55 0.00 0.00 175.29 175.50 1koq s VAL 70 N -0.30 4.50 -0.06 1.34 1.01 0.26 0.37 120.40 127.52 1koq s VAL 70 Ca 0.02 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 1koq s VAL 70 Cb -0.13 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1koq s VAL 70 CO 0.03 -0.15 0.39 0.20 0.00 0.00 0.00 175.10 175.57 1koq s ASN 71 N 1.55 6.70 -0.43 3.32 0.01 -0.59 -2.03 114.94 123.47 1koq s ASN 71 Ca 0.02 0.83 -0.06 0.00 -0.71 0.00 0.00 52.86 52.94 1koq s ASN 71 Cb -0.19 -2.24 0.11 0.00 0.41 0.00 0.00 41.25 39.34 1koq s ASN 71 CO 0.06 0.22 0.27 -0.31 -1.51 0.00 0.00 177.10 175.83 1koq s TYR 72 N -0.44 3.48 0.49 2.20 1.51 -0.73 -2.54 117.35 121.33 1koq s TYR 72 Ca 0.23 -2.06 0.29 0.00 -1.01 0.00 0.00 57.07 54.51 1koq s TYR 72 Cb -0.15 -3.29 1.63 0.00 -0.11 0.00 0.00 41.96 40.04 1koq s TYR 72 CO 0.11 -0.96 2.16 -1.35 -1.11 0.00 0.00 175.55 174.39 1koq h PRO 73 N 8.27 0.00 -5.53 -1.71 0.11 -1.85 -3.45 132.00 127.83 1koq h PRO 73 Ca -0.18 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.39 1koq h PRO 73 Cb 1.06 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.04 1koq h PRO 73 CO 0.77 0.07 -0.64 -1.21 -0.21 0.00 0.00 178.00 176.78 1koq s GLU 74 N -4.38 1.71 0.00 1.05 2.02 -1.26 -5.16 118.70 112.68 1koq s GLU 74 Ca -0.04 -1.92 0.00 0.00 0.02 0.00 0.00 54.97 53.04 1koq s GLU 74 Cb 0.14 -1.27 0.00 0.00 0.10 0.00 0.00 34.13 33.10 1koq s GLU 74 CO 0.56 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.23 1koq n GLY 75 N -0.73 -0.00 0.00 -1.39 0.00 -1.26 -4.76 105.19 97.05 1koq n GLY 75 Ca -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1koq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1koq n GLY 76 N 5.00 2.22 3.38 -0.02 0.00 -1.26 -5.04 105.19 109.46 1koq n GLY 76 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1koq n GLY 76 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1koq s ASN 77 N -1.19 5.88 0.35 1.61 0.01 -1.26 -4.71 114.94 115.62 1koq s ASN 77 Ca 0.00 -1.14 0.06 0.00 -0.71 0.00 0.00 52.86 51.07 1koq s ASN 77 Cb 0.00 -2.08 -0.07 0.00 0.41 0.00 0.00 41.25 39.52 1koq s ASN 77 CO 0.00 -0.48 0.02 0.42 -1.51 0.00 0.00 177.10 175.55 1koq s THR 78 N 1.57 1.57 -0.05 1.60 -4.23 -0.31 -0.27 115.64 115.52 1koq s THR 78 Ca 0.03 -2.03 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1koq s THR 78 Cb -0.21 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 70.87 1koq s THR 78 CO 0.07 -0.06 0.10 -0.22 -0.54 0.00 0.00 174.62 173.96 1koq s LEU 79 N -3.56 0.47 -0.13 4.79 0.20 -0.14 -0.67 118.68 119.64 1koq s LEU 79 Ca 0.35 0.18 -0.02 0.00 0.69 0.00 0.00 54.13 55.33 1koq s LEU 79 Cb 0.08 0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.91 1koq s LEU 79 CO 0.16 -0.19 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.06 1koq s THR 80 N 1.68 3.53 -0.16 3.68 2.01 0.11 -0.04 115.64 126.45 1koq s THR 80 Ca -0.02 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 1koq s THR 80 Cb -0.12 -2.51 0.08 0.00 0.01 0.00 0.00 72.50 69.95 1koq s THR 80 CO -0.04 0.52 0.27 0.54 -0.69 0.00 0.00 174.62 175.22 1koq s VAL 81 N 0.21 -0.43 -1.27 3.82 0.11 -0.29 -1.23 120.40 121.33 1koq s VAL 81 Ca -0.05 0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 59.12 1koq s VAL 81 Cb -0.14 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1koq s VAL 81 CO 0.04 0.04 1.09 -3.20 -3.33 0.00 0.00 175.10 169.73 1koq n ASN 82 N 5.35 -4.78 0.00 3.54 4.05 -1.26 -2.39 115.26 119.77 1koq n ASN 82 Ca -0.06 -0.55 0.00 0.00 0.45 0.00 0.00 54.58 54.42 1koq n ASN 82 Cb 0.50 -4.94 0.00 0.00 1.23 0.00 0.00 39.78 36.56 1koq n ASN 82 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1koq n GLY 83 N -1.67 2.83 3.79 8.20 0.00 -1.26 -5.02 105.19 112.06 1koq n GLY 83 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1koq n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1koq s ARG 84 N -0.25 3.93 -0.22 1.61 3.00 -1.01 -5.09 118.95 120.93 1koq s ARG 84 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 55.73 55.64 1koq s ARG 84 Cb 0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 34.95 31.58 1koq s ARG 84 CO 0.00 0.50 0.14 0.99 0.00 0.00 0.00 175.30 176.92 1koq s THR 85 N -0.28 5.36 -0.05 0.02 2.01 -1.26 -1.13 115.64 120.30 1koq s THR 85 Ca 0.15 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.38 1koq s THR 85 Cb -0.13 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 1koq s THR 85 CO 0.04 0.40 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.88 1koq s TYR 86 N 0.64 2.59 -0.21 4.92 1.51 0.94 -4.40 117.35 123.34 1koq s TYR 86 Ca 0.08 -0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 55.73 1koq s TYR 86 Cb -0.12 -1.61 -0.05 0.00 -0.11 0.00 0.00 41.96 40.08 1koq s TYR 86 CO 0.01 0.06 0.11 0.99 -1.11 0.00 0.00 175.55 175.61 1koq s THR 87 N -0.57 5.11 -0.05 -0.71 2.01 -0.37 -0.97 115.64 120.09 1koq s THR 87 Ca 0.08 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 1koq s THR 87 Cb -0.11 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1koq s THR 87 CO 0.01 0.41 1.63 -0.22 -0.69 0.00 0.00 174.62 175.76 1koq s LEU 88 N 0.65 4.32 -0.21 4.42 2.96 0.62 -1.56 118.68 129.88 1koq s LEU 88 Ca 0.06 2.22 0.09 0.00 -0.22 0.00 0.00 54.13 56.28 1koq s LEU 88 Cb -0.12 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.81 1koq s LEU 88 CO 0.01 -0.91 0.01 0.29 -1.32 0.00 0.00 176.35 174.43 1koq n LYS 89 N 7.00 0.67 -3.62 1.98 4.76 -0.16 -4.81 118.16 123.99 1koq n LYS 89 Ca 0.17 0.10 -0.01 0.00 -2.87 0.00 0.00 58.31 55.70 1koq n LYS 89 Cb 0.43 -1.55 -0.01 0.00 -1.84 0.00 0.00 35.03 32.05 1koq n LYS 89 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1koq s GLN 90 N -2.52 0.48 -0.02 1.97 1.03 -1.18 -1.77 119.66 117.65 1koq s GLN 90 Ca -0.21 -0.24 -0.05 0.00 0.04 0.00 0.00 55.36 54.90 1koq s GLN 90 Cb 0.07 0.18 0.01 0.00 0.03 0.00 0.00 33.01 33.30 1koq s GLN 90 CO 0.73 -0.22 0.11 -0.59 -2.54 0.00 0.00 175.29 172.78 1koq s PHE 91 N -2.55 -0.04 0.23 9.60 -0.12 -0.86 -0.47 117.98 123.77 1koq s PHE 91 Ca 0.12 0.09 0.03 0.00 -0.05 0.00 0.00 56.93 57.13 1koq s PHE 91 Cb 0.02 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 1koq s PHE 91 CO -0.04 -0.15 0.23 -2.39 -0.05 0.00 0.00 175.22 172.83 1koq n HIS 92 N 2.38 -0.70 -4.26 3.49 1.44 -0.62 -0.58 115.22 116.38 1koq n HIS 92 Ca -0.17 -1.79 -0.15 0.00 -2.01 0.00 0.00 57.72 53.60 1koq n HIS 92 Cb 0.58 0.25 -0.10 0.00 0.12 0.00 0.00 29.99 30.83 1koq n HIS 92 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1koq s PHE 93 N -3.10 1.31 -0.03 -1.40 0.40 -1.22 -1.53 117.98 112.41 1koq s PHE 93 Ca 0.25 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1koq s PHE 93 Cb 0.01 -0.66 0.03 0.00 0.51 0.00 0.00 43.02 42.91 1koq s PHE 93 CO 0.18 0.11 -0.01 -1.01 0.70 0.00 0.00 175.22 175.19 1koq s HIS 94 N -3.27 0.39 -0.16 0.36 3.76 0.02 -4.60 115.29 111.79 1koq s HIS 94 Ca 0.17 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.03 1koq s HIS 94 Cb 0.02 -0.47 0.05 0.00 1.11 0.00 0.00 32.58 33.29 1koq s HIS 94 CO 0.01 -0.15 -0.01 0.08 -0.85 0.00 0.00 174.74 173.82 1koq s VAL 95 N 1.07 0.82 0.00 -0.90 1.01 -1.26 -1.32 120.40 119.81 1koq s VAL 95 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1koq s VAL 95 Cb -0.14 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1koq s VAL 95 CO -0.02 0.02 0.00 -0.81 0.00 0.00 0.00 175.10 174.29 1koq n PRO 96 N 4.97 0.22 -1.05 2.72 -0.04 -1.26 -2.28 135.00 138.28 1koq n PRO 96 Ca -0.10 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.05 1koq n PRO 96 Cb 0.48 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.06 1koq n PRO 96 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1koq s SER 97 N -1.00 3.82 -0.25 3.54 1.04 -0.13 -4.46 113.70 116.27 1koq s SER 97 Ca 0.00 2.03 -0.17 0.00 0.48 0.00 0.00 55.95 58.29 1koq s SER 97 Cb 0.00 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.43 1koq s SER 97 CO 0.00 -2.50 -0.15 -0.62 0.98 0.00 0.00 173.24 170.95 1koq n GLU 98 N -3.72 0.57 -2.71 4.02 1.02 -1.26 -4.77 120.64 113.79 1koq n GLU 98 Ca 0.11 0.38 -0.33 0.00 -0.02 0.00 0.00 57.16 57.29 1koq n GLU 98 Cb 0.52 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 1koq n GLU 98 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1koq s ASN 99 N -7.16 6.72 0.04 1.62 0.01 -1.26 -4.57 114.94 110.34 1koq s ASN 99 Ca -0.34 1.77 0.06 0.00 -0.71 0.00 0.00 52.86 53.64 1koq s ASN 99 Cb 0.11 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 1koq s ASN 99 CO 0.52 -0.52 -0.16 -1.10 -1.51 0.00 0.00 177.10 174.32 1koq s GLN 100 N -3.22 1.08 -0.31 -0.60 -0.21 -0.78 -4.67 119.66 110.95 1koq s GLN 100 Ca 0.64 -0.83 -0.06 0.00 0.02 0.00 0.00 55.36 55.13 1koq s GLN 100 Cb -0.12 -1.13 0.03 0.00 1.00 0.00 0.00 33.01 32.79 1koq s GLN 100 CO 0.16 0.28 0.07 0.42 -2.12 0.00 0.00 175.29 174.10 1koq s ILE 101 N -0.85 3.67 -1.46 1.08 -1.09 -1.11 -0.01 121.20 121.42 1koq s ILE 101 Ca 0.04 -1.00 -0.12 0.00 -2.23 0.00 0.00 60.65 57.34 1koq s ILE 101 Cb -0.08 -2.99 0.05 0.00 -1.58 0.00 0.00 42.46 37.86 1koq s ILE 101 CO 0.02 -0.04 1.07 0.29 -1.23 0.00 0.00 174.94 175.04 1koq n LYS 102 N 4.80 -6.56 -0.37 2.79 5.02 0.95 -1.52 118.16 123.27 1koq n LYS 102 Ca -0.14 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1koq n LYS 102 Cb 0.46 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.81 1koq n LYS 102 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1koq n GLY 103 N -1.83 1.79 3.63 0.72 0.00 -1.26 -5.02 105.19 103.22 1koq n GLY 103 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1koq n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1koq s ARG 104 N -0.17 4.08 0.05 1.61 3.52 -0.57 -5.05 118.95 122.42 1koq s ARG 104 Ca 0.00 0.79 -0.20 0.00 -0.13 0.00 0.00 55.73 56.19 1koq s ARG 104 Cb 0.00 -3.68 -0.06 0.00 -1.56 0.00 0.00 34.95 29.64 1koq s ARG 104 CO 0.00 -0.60 0.58 0.99 -0.81 0.00 0.00 175.30 175.46 1koq s THR 105 N 2.92 4.79 0.16 4.11 2.01 -1.26 -2.77 115.64 125.59 1koq s THR 105 Ca 0.34 1.24 0.04 0.00 0.31 0.00 0.00 61.69 63.62 1koq s THR 105 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1koq s THR 105 CO 0.10 0.51 0.22 -0.36 -0.69 0.00 0.00 174.62 174.40 1koq s PHE 106 N -0.79 3.33 0.31 4.92 0.40 -1.26 -4.96 117.98 119.93 1koq s PHE 106 Ca 0.30 0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.71 1koq s PHE 106 Cb -0.19 -1.60 0.61 0.00 0.51 0.00 0.00 43.02 42.36 1koq s PHE 106 CO 0.19 0.52 1.87 -1.35 0.70 0.00 0.00 175.22 177.14 1koq h PRO 107 N 2.24 0.90 -3.59 0.24 0.11 -1.92 -0.31 132.00 129.67 1koq h PRO 107 Ca -0.48 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 1koq h PRO 107 Cb 1.20 -0.20 -0.13 0.00 0.11 0.00 0.00 31.00 31.97 1koq h PRO 107 CO 0.66 0.60 -0.20 1.41 -0.21 0.00 0.00 178.00 180.26 1koq s MET 108 N -5.87 1.01 -0.11 1.05 -2.45 -1.25 -4.21 119.30 107.47 1koq s MET 108 Ca -0.11 -0.86 -0.08 0.00 -1.25 0.00 0.00 55.69 53.39 1koq s MET 108 Cb 0.21 0.42 0.04 0.00 1.25 0.00 0.00 34.83 36.75 1koq s MET 108 CO 0.80 -0.37 0.28 -2.00 1.05 0.00 0.00 175.02 174.78 1koq s GLU 109 N -3.85 0.28 -0.02 4.11 2.12 -0.43 -1.34 118.70 119.57 1koq s GLU 109 Ca 0.05 0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.90 1koq s GLU 109 Cb 0.03 0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 1koq s GLU 109 CO -0.10 -0.10 -0.05 0.00 -0.54 0.00 0.00 175.26 174.47 1koq s ALA 110 N 0.75 3.07 -0.20 6.30 0.00 0.42 -0.80 121.76 131.31 1koq s ALA 110 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1koq s ALA 110 Cb -0.06 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.87 1koq s ALA 110 CO -0.05 0.61 -0.15 -1.01 0.00 0.00 0.00 175.76 175.15 1koq s HIS 111 N -0.95 2.73 -0.44 0.00 3.76 -0.58 -1.48 115.29 118.32 1koq s HIS 111 Ca 0.16 -1.72 -0.15 0.00 -0.15 0.00 0.00 55.06 53.19 1koq s HIS 111 Cb -0.11 -1.82 0.05 0.00 1.11 0.00 0.00 32.58 31.81 1koq s HIS 111 CO 0.06 -0.79 0.35 -0.06 -0.85 0.00 0.00 174.74 173.45 1koq s PHE 112 N 1.30 3.24 -0.23 1.40 0.40 -0.08 -1.58 117.98 122.43 1koq s PHE 112 Ca 0.01 -0.78 -0.20 0.00 -0.60 0.00 0.00 56.93 55.36 1koq s PHE 112 Cb -0.15 -2.90 -0.02 0.00 0.51 0.00 0.00 43.02 40.45 1koq s PHE 112 CO -0.10 -0.70 0.62 0.08 0.70 0.00 0.00 175.22 175.82 1koq s VAL 113 N 1.66 5.01 0.30 -0.44 1.01 0.38 -1.21 120.40 127.11 1koq s VAL 113 Ca 0.04 1.14 0.11 0.00 0.00 0.00 0.00 61.98 63.27 1koq s VAL 113 Cb -0.22 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1koq s VAL 113 CO 0.08 0.07 -0.16 -1.00 0.00 0.00 0.00 175.10 174.09 1koq s HIS 114 N 2.20 2.34 -0.06 5.22 3.76 0.30 -0.99 115.29 128.08 1koq s HIS 114 Ca 0.27 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.78 1koq s HIS 114 Cb -0.16 -1.11 0.03 0.00 1.11 0.00 0.00 32.58 32.46 1koq s HIS 114 CO 0.09 0.68 0.13 -0.51 -0.85 0.00 0.00 174.74 174.27 1koq s LEU 115 N -3.55 0.89 0.00 0.89 1.43 -0.60 -1.50 118.68 116.24 1koq s LEU 115 Ca 0.31 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1koq s LEU 115 Cb -0.03 0.31 0.03 0.00 0.03 0.00 0.00 46.19 46.53 1koq s LEU 115 CO 0.16 -0.13 0.22 -0.90 0.23 0.00 0.00 176.35 175.93 1koq n ASP 116 N 4.03 0.14 -0.13 2.29 5.68 -0.87 -1.24 116.55 126.46 1koq n ASP 116 Ca -0.25 -1.15 -0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1koq n ASP 116 Cb 0.53 -0.16 0.26 0.00 -1.14 0.00 0.00 41.12 40.61 1koq n ASP 116 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1koq h GLU 117 N 0.00 0.81 -0.34 0.11 3.07 -1.92 -1.79 114.58 114.52 1koq h GLU 117 Ca -0.07 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1koq h GLU 117 Cb 0.23 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1koq h GLU 117 CO 0.06 0.64 0.00 0.09 -1.40 0.00 0.00 179.01 178.40 1koq n ASN 118 N -4.36 1.43 -1.18 1.42 3.02 -1.26 -4.88 115.26 109.46 1koq n ASN 118 Ca 0.05 -2.05 -0.13 0.00 -0.03 0.00 0.00 54.58 52.42 1koq n ASN 118 Cb 0.13 -0.22 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 1koq n ASN 118 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1koq n LYS 119 N 0.17 -0.96 -2.77 3.52 5.02 -0.67 -4.99 118.16 117.48 1koq n LYS 119 Ca 0.08 0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 56.79 1koq n LYS 119 Cb 0.25 -4.96 -0.03 0.00 -0.02 0.00 0.00 35.03 30.27 1koq n LYS 119 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1koq s GLN 120 N -3.66 4.27 0.30 1.97 -1.52 -1.26 -4.77 119.66 114.99 1koq s GLN 120 Ca 0.00 1.19 -0.28 0.00 -1.95 0.00 0.00 55.36 54.33 1koq s GLN 120 Cb 0.00 -3.61 -0.09 0.00 -0.22 0.00 0.00 33.01 29.08 1koq s GLN 120 CO 0.00 -0.50 0.96 -1.25 -0.25 0.00 0.00 175.29 174.25 1koq s PRO 121 N 2.74 4.66 -0.03 2.91 0.04 -1.26 -2.05 135.00 142.01 1koq s PRO 121 Ca 0.41 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1koq s PRO 121 Cb -0.16 -2.98 0.03 0.00 0.04 0.00 0.00 34.50 31.43 1koq s PRO 121 CO 0.09 0.33 0.01 -1.17 0.04 0.00 0.00 177.00 176.31 1koq s LEU 122 N -1.73 1.03 -0.17 -3.56 0.20 -0.56 -2.46 118.68 111.41 1koq s LEU 122 Ca 0.47 -0.00 -0.02 0.00 0.69 0.00 0.00 54.13 55.27 1koq s LEU 122 Cb -0.22 -0.18 -0.01 0.00 -0.43 0.00 0.00 46.19 45.34 1koq s LEU 122 CO 0.28 -0.13 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.44 1koq s VAL 123 N 1.17 3.26 -0.24 1.68 1.01 -0.43 -0.53 120.40 126.32 1koq s VAL 123 Ca -0.08 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1koq s VAL 123 Cb -0.13 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1koq s VAL 123 CO -0.02 0.48 0.17 -0.22 0.00 0.00 0.00 175.10 175.50 1koq s LEU 124 N 0.87 4.12 -0.09 3.92 2.96 -0.35 -1.33 118.68 128.79 1koq s LEU 124 Ca -0.02 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1koq s LEU 124 Cb -0.15 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1koq s LEU 124 CO 0.01 0.06 -0.09 0.00 -1.32 0.00 0.00 176.35 175.01 1koq s ALA 125 N 1.06 2.88 -0.11 5.97 0.00 0.98 -0.90 121.76 131.64 1koq s ALA 125 Ca 0.08 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1koq s ALA 125 Cb -0.14 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.77 1koq s ALA 125 CO 0.05 0.47 -0.18 0.08 0.00 0.00 0.00 175.76 176.18 1koq s VAL 126 N -0.45 1.68 -0.10 0.00 1.01 -0.55 -1.03 120.40 120.97 1koq s VAL 126 Ca 0.06 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1koq s VAL 126 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1koq s VAL 126 CO 0.02 0.48 0.15 -0.76 0.00 0.00 0.00 175.10 174.98 1koq s LEU 127 N 0.84 4.37 -0.13 3.92 1.43 -1.26 -0.44 118.68 127.41 1koq s LEU 127 Ca -0.09 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1koq s LEU 127 Cb -0.16 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 1koq s LEU 127 CO 0.00 0.38 -0.11 -0.31 0.23 0.00 0.00 176.35 176.54 1koq s TYR 128 N -1.09 2.86 0.25 0.29 1.51 -0.45 -1.20 117.35 119.52 1koq s TYR 128 Ca 0.17 -0.53 -0.09 0.00 -1.01 0.00 0.00 57.07 55.62 1koq s TYR 128 Cb -0.12 -1.85 -0.07 0.00 -0.11 0.00 0.00 41.96 39.81 1koq s TYR 128 CO 0.07 -0.14 0.56 -1.21 -1.11 0.00 0.00 175.55 173.72 1koq s GLU 129 N 0.27 3.76 0.09 -0.62 2.02 0.65 -3.28 118.70 121.58 1koq s GLU 129 Ca -0.08 0.23 -0.31 0.00 0.02 0.00 0.00 54.97 54.83 1koq s GLU 129 Cb -0.15 -2.64 -0.07 0.00 0.10 0.00 0.00 34.13 31.37 1koq s GLU 129 CO 0.05 0.28 1.33 0.00 0.02 0.00 0.00 175.26 176.94 1koq s ALA 130 N -1.90 3.53 0.00 5.21 0.00 -1.26 -2.53 121.76 124.81 1koq s ALA 130 Ca 0.47 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1koq s ALA 130 Cb -0.11 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1koq s ALA 130 CO 0.23 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1koq n GLY 131 N 3.41 -0.95 3.68 0.00 0.00 -0.37 -4.90 105.19 106.07 1koq n GLY 131 Ca 0.11 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1koq n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1koq n LYS 132 N 0.00 0.86 -1.85 1.61 4.81 -1.26 -3.60 118.16 118.73 1koq n LYS 132 Ca 0.00 0.35 -0.39 0.00 -0.87 0.00 0.00 58.31 57.40 1koq n LYS 132 Cb 0.00 -2.39 0.02 0.00 0.02 0.00 0.00 35.03 32.68 1koq n LYS 132 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1koq s THR 133 N -1.56 2.19 -0.42 3.15 2.01 -1.26 -3.57 115.64 116.19 1koq s THR 133 Ca 0.79 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.80 1koq s THR 133 Cb -0.37 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.07 1koq s THR 133 CO 0.44 0.01 0.31 0.21 -0.69 0.00 0.00 174.62 174.90 1koq s ASN 134 N -0.71 6.09 0.37 3.53 3.84 -1.26 -4.88 114.94 121.92 1koq s ASN 134 Ca 0.64 -0.96 0.20 0.00 0.21 0.00 0.00 52.86 52.94 1koq s ASN 134 Cb -0.41 -2.15 0.46 0.00 -0.55 0.00 0.00 41.25 38.59 1koq s ASN 134 CO 0.52 -0.47 1.63 1.23 -2.79 0.00 0.00 177.10 177.21 1koq h GLY 135 N 8.63 0.00 2.00 1.21 0.00 -1.94 -3.14 103.07 109.83 1koq h GLY 135 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1koq h GLY 135 CO 0.75 0.00 -0.02 3.21 0.00 0.00 0.00 176.54 180.48 1koq h ARG 136 N 0.00 0.00 -0.01 4.80 3.08 -1.94 -2.52 114.38 117.79 1koq h ARG 136 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1koq h ARG 136 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1koq h ARG 136 CO 0.04 0.02 -0.58 1.28 -1.07 0.00 0.00 179.97 179.65 1koq n LEU 137 N -3.13 1.51 -0.25 3.04 4.77 -1.19 -4.43 117.00 117.32 1koq n LEU 137 Ca -0.00 -0.57 -0.04 0.00 -0.03 0.00 0.00 56.01 55.37 1koq n LEU 137 Cb 0.27 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1koq n LEU 137 CO 0.26 0.30 1.16 0.77 -1.33 0.00 0.00 177.39 178.56 1koq h SER 138 N 1.46 0.78 -0.47 -1.43 4.64 -1.50 0.45 113.55 117.48 1koq h SER 138 Ca 0.00 -0.01 0.13 0.00 -0.47 0.00 0.00 61.79 61.43 1koq h SER 138 Cb 0.64 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1koq h SER 138 CO 0.00 0.55 0.33 -1.28 -0.87 0.00 0.00 176.83 175.57 1koq h SER 139 N 0.92 0.05 0.08 4.97 0.87 -1.77 0.86 113.55 119.52 1koq h SER 139 Ca 0.27 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.46 1koq h SER 139 Cb -0.06 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 1koq h SER 139 CO -0.07 0.03 -2.21 -0.38 -0.53 0.00 0.00 176.83 173.66 1koq n ILE 140 N -4.41 1.63 -0.17 2.23 2.08 -0.95 -4.35 119.36 115.41 1koq n ILE 140 Ca 0.08 -0.64 -0.05 0.00 0.56 0.00 0.00 62.75 62.70 1koq n ILE 140 Cb 0.51 -1.50 0.13 0.00 -0.75 0.00 0.00 39.64 38.03 1koq n ILE 140 CO 0.00 0.00 0.00 -0.50 0.56 0.00 0.00 176.55 176.61 1koq h TRP 141 N 0.03 0.98 0.00 1.39 6.55 -0.53 -2.44 115.95 121.94 1koq h TRP 141 Ca -0.49 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.23 1koq h TRP 141 Cb 1.99 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 30.01 1koq h TRP 141 CO 0.05 0.83 0.00 -0.91 -1.05 0.00 0.00 178.44 177.36 1koq h ASN 142 N 0.89 0.00 -0.06 -3.49 2.35 -1.05 -2.82 115.58 111.40 1koq h ASN 142 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1koq h ASN 142 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1koq h ASN 142 CO 0.01 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.12 1koq n VAL 143 N -2.60 0.25 -1.59 2.81 0.24 -1.15 -5.03 118.33 111.27 1koq n VAL 143 Ca 0.01 -0.62 -0.53 0.00 -2.04 0.00 0.00 64.34 61.16 1koq n VAL 143 Cb 0.26 0.99 -0.07 0.00 -1.47 0.00 0.00 33.84 33.55 1koq n VAL 143 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1koq n MET 144 N 0.35 1.35 -1.73 7.34 0.00 -0.93 -4.87 117.12 118.63 1koq n MET 144 Ca 0.05 0.45 -0.42 0.00 0.00 0.00 0.00 57.70 57.78 1koq n MET 144 Cb 0.23 -2.38 -0.03 0.00 0.00 0.00 0.00 33.22 31.04 1koq n MET 144 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1koq s PRO 145 N 4.82 3.77 0.04 2.12 0.02 -1.26 -4.85 135.00 139.66 1koq s PRO 145 Ca 1.02 2.27 0.19 0.00 0.02 0.00 0.00 61.00 64.50 1koq s PRO 145 Cb -0.90 -4.20 0.80 0.00 0.02 0.00 0.00 34.50 30.23 1koq s PRO 145 CO 0.56 -1.37 1.61 -1.33 -0.33 0.00 0.00 177.00 176.14 1koq n MET 146 N 7.93 0.04 -4.32 5.54 2.81 -1.26 -4.77 117.12 123.08 1koq n MET 146 Ca 0.23 0.22 -0.17 0.00 -1.81 0.00 0.00 57.70 56.17 1koq n MET 146 Cb 0.43 -1.56 -0.10 0.00 -0.71 0.00 0.00 33.22 31.27 1koq n MET 146 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1koq s THR 147 N -3.05 0.82 -0.34 2.03 -4.23 -1.26 -4.73 115.64 104.89 1koq s THR 147 Ca 0.08 -2.01 -0.28 0.00 -1.18 0.00 0.00 61.69 58.31 1koq s THR 147 Cb 0.12 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.43 1koq s THR 147 CO 0.35 -0.20 2.30 0.00 -0.54 0.00 0.00 174.62 176.54 1koq n ALA 148 N -0.44 1.37 0.00 3.99 0.00 -1.26 -4.65 120.51 119.52 1koq n ALA 148 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1koq n ALA 148 Cb 0.65 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 17.10 1koq n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1koq n GLY 149 N 5.92 0.81 3.61 0.00 0.00 -0.30 -4.98 105.19 110.24 1koq n GLY 149 Ca 0.34 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1koq n GLY 149 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1koq s LYS 150 N -2.00 2.75 -0.11 1.61 2.20 -1.26 -0.64 119.74 122.29 1koq s LYS 150 Ca 0.00 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1koq s LYS 150 Cb 0.00 -2.61 0.02 0.00 -1.51 0.00 0.00 37.83 33.73 1koq s LYS 150 CO 0.00 0.65 -0.10 0.14 -0.36 0.00 0.00 175.35 175.69 1koq s VAL 151 N -0.88 1.13 0.06 4.02 -7.23 0.99 -5.00 120.40 113.49 1koq s VAL 151 Ca 0.14 -0.38 -0.31 0.00 -1.81 0.00 0.00 61.98 59.63 1koq s VAL 151 Cb -0.11 -1.11 -0.07 0.00 0.56 0.00 0.00 36.38 35.65 1koq s VAL 151 CO 0.04 0.38 1.41 -0.75 -0.31 0.00 0.00 175.10 175.86 1koq s LYS 152 N 1.47 4.30 -0.05 4.82 2.47 -1.26 -1.10 119.74 130.39 1koq s LYS 152 Ca 0.01 2.03 -0.29 0.00 -1.56 0.00 0.00 55.97 56.16 1koq s LYS 152 Cb -0.13 -3.43 -0.02 0.00 -1.46 0.00 0.00 37.83 32.79 1koq s LYS 152 CO -0.06 -0.51 0.95 -1.17 0.16 0.00 0.00 175.35 174.72 1koq s LEU 153 N 1.80 4.32 0.13 5.43 2.96 -0.98 -4.91 118.68 127.43 1koq s LEU 153 Ca 0.65 1.55 -0.09 0.00 -0.22 0.00 0.00 54.13 56.02 1koq s LEU 153 Cb -0.34 -3.50 -0.06 0.00 0.50 0.00 0.00 46.19 42.78 1koq s LEU 153 CO 0.29 -0.31 1.37 0.78 -1.32 0.00 0.00 176.35 177.16 1koq h ASN 154 N 6.92 0.80 -2.95 3.68 2.35 -1.93 -3.43 115.58 121.01 1koq h ASN 154 Ca -0.37 -0.50 -0.62 0.00 -0.55 0.00 0.00 56.30 54.26 1koq h ASN 154 Cb 1.19 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.28 1koq h ASN 154 CO 0.79 1.28 -0.37 -1.10 -1.65 0.00 0.00 177.43 176.37 1koq s GLN 155 N -3.80 3.59 0.11 0.81 -1.52 -1.26 -5.06 119.66 112.53 1koq s GLN 155 Ca -0.09 -0.08 -0.31 0.00 -1.95 0.00 0.00 55.36 52.93 1koq s GLN 155 Cb 0.10 -3.04 -0.08 0.00 -0.22 0.00 0.00 33.01 29.77 1koq s GLN 155 CO 0.88 0.62 1.36 -1.25 -0.25 0.00 0.00 175.29 176.65 1koq s PRO 156 N -1.92 4.34 -0.08 2.91 0.04 -1.26 -4.75 135.00 134.28 1koq s PRO 156 Ca 0.30 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 1koq s PRO 156 Cb -0.13 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 1koq s PRO 156 CO 0.18 -0.40 0.30 0.12 0.04 0.00 0.00 177.00 177.24 1koq s PHE 157 N 1.07 3.62 -0.39 0.56 5.36 0.17 -4.50 117.98 123.86 1koq s PHE 157 Ca 0.63 0.76 -0.05 0.00 -0.96 0.00 0.00 56.93 57.32 1koq s PHE 157 Cb -0.36 -2.20 0.09 0.00 -0.34 0.00 0.00 43.02 40.21 1koq s PHE 157 CO 0.30 0.57 0.19 0.34 -1.46 0.00 0.00 175.22 175.16 1koq s ASP 158 N -0.66 5.31 0.46 6.13 2.15 -1.26 0.59 116.67 129.38 1koq s ASP 158 Ca 0.19 -1.73 0.31 0.00 0.43 0.00 0.00 52.55 51.75 1koq s ASP 158 Cb -0.14 -1.86 1.54 0.00 -0.30 0.00 0.00 42.92 42.15 1koq s ASP 158 CO 0.08 -0.49 1.95 0.00 -0.17 0.00 0.00 175.17 176.53 1koq h ALA 159 N 8.15 1.00 -0.85 3.66 0.00 -1.92 -3.00 119.26 126.31 1koq h ALA 159 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.87 1koq h ALA 159 Cb 1.06 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1koq h ALA 159 CO 0.69 0.00 0.55 1.03 0.00 0.00 0.00 179.25 181.52 1koq h SER 160 N 0.00 0.61 0.30 0.00 0.87 -1.92 -1.23 113.55 112.19 1koq h SER 160 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1koq h SER 160 Cb 0.19 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1koq h SER 160 CO 0.00 0.33 0.00 0.71 -0.53 0.00 0.00 176.83 177.34 1koq h THR 161 N 0.66 0.00 -0.31 2.23 1.35 -1.95 -2.24 112.91 112.65 1koq h THR 161 Ca 0.42 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 1koq h THR 161 Cb 0.68 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1koq h THR 161 CO -0.18 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.27 1koq n LEU 162 N -3.07 1.95 -4.44 3.87 4.77 -0.46 -4.89 117.00 114.74 1koq n LEU 162 Ca -0.02 -0.93 -0.32 0.00 -0.03 0.00 0.00 56.01 54.71 1koq n LEU 162 Cb 0.14 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 1koq n LEU 162 CO 0.22 0.46 -0.48 -0.76 -1.33 0.00 0.00 177.39 175.50 1koq s LEU 163 N -1.19 2.57 1.27 2.23 1.43 -0.84 -5.05 118.68 119.10 1koq s LEU 163 Ca 0.28 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 1koq s LEU 163 Cb 0.15 -1.50 0.32 0.00 0.03 0.00 0.00 46.19 45.18 1koq s LEU 163 CO 0.21 0.33 0.99 -2.84 0.23 0.00 0.00 176.35 175.26 1koq s PRO 164 N -0.80 -1.77 -0.05 1.29 0.02 -1.26 -5.01 135.00 127.42 1koq s PRO 164 Ca 0.12 0.50 -0.12 0.00 0.02 0.00 0.00 61.00 61.52 1koq s PRO 164 Cb -0.10 -1.48 -0.07 0.00 0.02 0.00 0.00 34.50 32.87 1koq s PRO 164 CO 0.01 -4.20 0.50 0.87 -0.33 0.00 0.00 177.00 173.85 1koq h LYS 165 N -2.95 -0.41 -6.34 5.54 1.57 -1.98 -3.43 116.57 108.56 1koq h LYS 165 Ca -0.55 0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.72 1koq h LYS 165 Cb 1.34 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 1koq h LYS 165 CO 0.42 -0.27 0.29 1.03 -0.57 0.00 0.00 179.45 180.35 1koq s ARG 166 N -2.94 4.55 -0.40 3.15 3.00 -1.26 -4.97 118.95 120.08 1koq s ARG 166 Ca -0.06 1.28 0.05 0.00 0.00 0.00 0.00 55.73 57.01 1koq s ARG 166 Cb 0.01 -3.44 0.61 0.00 0.00 0.00 0.00 34.95 32.13 1koq s ARG 166 CO 0.19 0.03 1.77 1.28 0.00 0.00 0.00 175.30 178.57 1koq n LEU 167 N 3.66 5.91 -4.77 2.53 4.77 -1.26 -4.65 117.00 123.18 1koq n LEU 167 Ca 0.03 -3.69 -0.38 0.00 -0.03 0.00 0.00 56.01 51.95 1koq n LEU 167 Cb 0.51 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1koq n LEU 167 CO 0.50 1.14 0.86 -0.54 -1.33 0.00 0.00 177.39 178.02 1koq s LYS 168 N -3.30 3.76 0.19 3.23 -0.14 -1.26 -4.75 119.74 117.47 1koq s LYS 168 Ca 0.53 1.86 -0.07 0.00 -1.36 0.00 0.00 55.97 56.93 1koq s LYS 168 Cb 0.46 -2.46 -0.02 0.00 -1.68 0.00 0.00 37.83 34.13 1koq s LYS 168 CO 0.07 -0.58 0.27 1.52 -0.76 0.00 0.00 175.35 175.87 1koq s TYR 169 N -1.48 0.62 -0.09 3.18 1.13 -1.26 -1.67 117.35 117.78 1koq s TYR 169 Ca 0.63 -0.95 -0.07 0.00 -1.41 0.00 0.00 57.07 55.26 1koq s TYR 169 Cb -0.31 -0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.34 1koq s TYR 169 CO 0.38 -0.74 0.18 0.71 -2.51 0.00 0.00 175.55 173.56 1koq s TYR 170 N -4.03 3.61 -0.06 -3.49 2.02 0.66 -4.57 117.35 111.48 1koq s TYR 170 Ca 0.24 0.56 0.02 0.00 -0.37 0.00 0.00 57.07 57.53 1koq s TYR 170 Cb 0.04 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 1koq s TYR 170 CO 0.05 0.71 -0.12 0.50 -1.57 0.00 0.00 175.55 175.12 1koq s ARG 171 N -1.18 1.67 0.28 -0.62 6.06 0.85 -1.21 118.95 124.79 1koq s ARG 171 Ca 0.18 -0.42 -0.21 0.00 -2.50 0.00 0.00 55.73 52.78 1koq s ARG 171 Cb -0.13 -1.39 0.03 0.00 0.06 0.00 0.00 34.95 33.52 1koq s ARG 171 CO 0.07 0.05 0.75 -0.59 -2.50 0.00 0.00 175.30 173.09 1koq s PHE 172 N 0.59 -0.15 0.01 5.12 -0.71 -0.97 -0.79 117.98 121.07 1koq s PHE 172 Ca -0.13 -0.31 0.01 0.00 -1.04 0.00 0.00 56.93 55.46 1koq s PHE 172 Cb -0.15 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 1koq s PHE 172 CO 0.03 -1.22 0.03 0.00 -1.34 0.00 0.00 175.22 172.72 1koq s ALA 173 N -3.70 3.39 0.00 1.99 0.00 -1.26 -0.87 121.76 121.31 1koq s ALA 173 Ca 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1koq s ALA 173 Cb -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1koq s ALA 173 CO 0.07 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.91 1koq n GLY 174 N 1.17 3.68 1.18 0.00 0.00 0.20 -4.87 105.19 106.54 1koq n GLY 174 Ca -0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1koq n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1koq n SER 175 N 0.00 -0.37 -4.77 1.61 3.41 -1.17 -2.27 113.62 110.06 1koq n SER 175 Ca 0.00 -1.73 -0.38 0.00 -0.26 0.00 0.00 58.87 56.50 1koq n SER 175 Cb 0.00 0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 64.64 1koq n SER 175 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1koq s LEU 176 N 0.00 4.46 0.00 1.04 1.43 -0.83 -4.49 118.68 120.29 1koq s LEU 176 Ca 0.12 1.88 0.29 0.00 -1.03 0.00 0.00 54.13 55.39 1koq s LEU 176 Cb 0.00 -3.86 1.42 0.00 0.03 0.00 0.00 46.19 43.78 1koq s LEU 176 CO 0.09 0.02 1.95 0.35 0.23 0.00 0.00 176.35 178.99 1koq n THR 177 N 0.92 0.01 -4.35 5.49 -2.24 -1.26 -4.38 114.28 108.47 1koq n THR 177 Ca 0.00 -0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 1koq n THR 177 Cb 0.49 0.01 -0.11 0.00 -2.10 0.00 0.00 70.33 68.61 1koq n THR 177 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1koq s THR 178 N -1.99 1.89 0.44 4.28 -4.23 -1.26 -4.80 115.64 109.97 1koq s THR 178 Ca 0.42 -1.95 -0.24 0.00 -1.18 0.00 0.00 61.69 58.74 1koq s THR 178 Cb 0.21 -1.89 -0.10 0.00 1.34 0.00 0.00 72.50 72.06 1koq s THR 178 CO 0.34 -0.30 1.05 -2.65 -0.54 0.00 0.00 174.62 172.52 1koq n PRO 179 N 0.25 1.40 -0.01 3.99 -0.02 -1.26 -0.77 135.00 138.58 1koq n PRO 179 Ca -0.13 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1koq n PRO 179 Cb 0.57 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1koq n PRO 179 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1koq n PRO 180 N 0.02 1.02 -3.08 0.52 -0.04 -1.26 -4.96 135.00 127.23 1koq n PRO 180 Ca 0.09 -0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 1koq n PRO 180 Cb 0.40 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1koq n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1koq n THR 182 N -4.31 0.11 -2.20 0.00 -1.04 -1.26 -4.39 114.28 101.18 1koq n THR 182 Ca -0.09 -0.02 -0.19 0.00 -2.04 0.00 0.00 64.05 61.71 1koq n THR 182 Cb 0.60 -1.24 0.11 0.00 -1.82 0.00 0.00 70.33 67.98 1koq n THR 182 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1koq n GLU 183 N 3.72 -0.30 -1.31 -2.82 1.02 -1.26 -1.96 120.64 117.73 1koq n GLU 183 Ca 0.20 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 1koq n GLU 183 Cb 0.23 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1koq n GLU 183 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1koq n GLY 184 N -0.90 0.57 3.50 0.62 0.00 -1.12 -4.94 105.19 102.92 1koq n GLY 184 Ca 0.12 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1koq n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1koq s VAL 185 N -2.00 4.28 0.10 1.61 1.01 -0.96 -4.50 120.40 119.94 1koq s VAL 185 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 1koq s VAL 185 Cb 0.00 -2.95 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 1koq s VAL 185 CO 0.00 0.41 0.71 -0.94 0.00 0.00 0.00 175.10 175.28 1koq s SER 186 N 0.97 7.23 -0.11 3.32 1.04 -1.03 -0.63 113.70 124.48 1koq s SER 186 Ca 0.03 1.46 0.03 0.00 0.48 0.00 0.00 55.95 57.94 1koq s SER 186 Cb -0.14 -2.45 -0.00 0.00 0.10 0.00 0.00 66.02 63.53 1koq s SER 186 CO 0.02 0.16 -0.21 0.26 0.98 0.00 0.00 173.24 174.46 1koq s TRP 187 N -0.75 2.64 -0.21 5.02 0.52 -0.05 -1.31 118.94 124.80 1koq s TRP 187 Ca 0.34 -0.96 0.01 0.00 0.02 0.00 0.00 56.10 55.51 1koq s TRP 187 Cb -0.21 -1.76 0.05 0.00 -1.15 0.00 0.00 33.47 30.39 1koq s TRP 187 CO 0.23 -0.38 -0.10 -0.51 0.02 0.00 0.00 176.95 176.21 1koq s LEU 188 N 0.40 2.41 -0.26 2.99 1.02 -0.44 -2.29 118.68 122.51 1koq s LEU 188 Ca -0.15 -0.96 -0.06 0.00 0.02 0.00 0.00 54.13 52.97 1koq s LEU 188 Cb -0.17 -1.26 -0.01 0.00 0.02 0.00 0.00 46.19 44.77 1koq s LEU 188 CO 0.07 -0.16 0.04 -0.69 0.02 0.00 0.00 176.35 175.63 1koq s VAL 189 N 1.37 3.92 0.37 -1.59 1.01 -0.35 -0.01 120.40 125.11 1koq s VAL 189 Ca -0.02 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 1koq s VAL 189 Cb -0.17 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 1koq s VAL 189 CO -0.08 0.27 1.31 -0.76 0.00 0.00 0.00 175.10 175.84 1koq s LEU 190 N 1.54 4.32 0.22 3.92 1.43 -0.20 -0.25 118.68 129.66 1koq s LEU 190 Ca 0.05 2.68 0.14 0.00 -1.03 0.00 0.00 54.13 55.96 1koq s LEU 190 Cb -0.16 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 1koq s LEU 190 CO 0.01 -0.69 1.33 0.11 0.23 0.00 0.00 176.35 177.34 1koq h LYS 191 N 3.03 0.00 -5.42 1.70 1.57 -1.66 -3.44 116.57 112.35 1koq h LYS 191 Ca -0.49 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.66 1koq h LYS 191 Cb 1.24 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.41 1koq h LYS 191 CO 0.64 0.57 0.08 0.99 -0.57 0.00 0.00 179.45 181.16 1koq s THR 192 N -2.90 4.96 0.54 -0.16 2.01 -1.26 -5.06 115.64 113.76 1koq s THR 192 Ca 0.03 0.68 -0.10 0.00 0.31 0.00 0.00 61.69 62.61 1koq s THR 192 Cb 0.08 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1koq s THR 192 CO 0.77 -0.17 0.93 -0.31 -0.69 0.00 0.00 174.62 175.14 1koq s TYR 193 N 2.55 3.56 0.00 4.92 2.02 -1.26 -4.76 117.35 124.39 1koq s TYR 193 Ca 0.23 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 1koq s TYR 193 Cb -0.15 -2.59 0.00 0.00 -0.40 0.00 0.00 41.96 38.82 1koq s TYR 193 CO 0.13 -0.46 0.00 -3.47 -1.57 0.00 0.00 175.55 170.18 1koq n ASP 194 N -2.25 0.87 -3.96 2.29 -0.08 -0.34 -4.90 116.55 108.18 1koq n ASP 194 Ca 0.04 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.23 1koq n ASP 194 Cb 0.54 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.94 1koq n ASP 194 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1koq s HIS 195 N 1.58 0.39 0.11 -0.67 -3.43 -1.26 -0.26 115.29 111.75 1koq s HIS 195 Ca 0.00 -0.75 -0.23 0.00 -0.80 0.00 0.00 55.06 53.28 1koq s HIS 195 Cb 0.00 -0.02 0.06 0.00 -1.43 0.00 0.00 32.58 31.19 1koq s HIS 195 CO 0.00 -0.76 0.56 0.96 -2.00 0.00 0.00 174.74 173.50 1koq s ILE 196 N -3.98 0.02 0.25 -5.38 -4.36 -1.05 -4.48 121.20 102.22 1koq s ILE 196 Ca 0.18 -0.14 -0.15 0.00 -0.26 0.00 0.00 60.65 60.29 1koq s ILE 196 Cb 0.03 -1.02 -0.08 0.00 1.25 0.00 0.00 42.46 42.64 1koq s ILE 196 CO 0.01 -0.08 0.67 -0.62 0.24 0.00 0.00 174.94 175.17 1koq s ASP 197 N -2.40 6.83 0.59 4.36 -1.08 -1.24 -1.24 116.67 122.49 1koq s ASP 197 Ca -0.01 1.21 0.29 0.00 -0.52 0.00 0.00 52.55 53.52 1koq s ASP 197 Cb -0.00 -2.34 1.47 0.00 -1.46 0.00 0.00 42.92 40.58 1koq s ASP 197 CO -0.08 -0.06 1.89 1.56 0.52 0.00 0.00 175.17 179.00 1koq h GLN 198 N 2.84 0.00 -0.09 4.34 7.50 -1.95 0.47 115.11 128.22 1koq h GLN 198 Ca -0.48 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 58.49 1koq h GLN 198 Cb 1.18 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.71 1koq h GLN 198 CO 0.66 0.00 -0.70 0.00 -1.50 0.00 0.00 178.83 177.29 1koq h ALA 199 N 1.45 0.62 -0.40 3.87 0.00 -1.97 -2.38 119.26 120.46 1koq h ALA 199 Ca 0.22 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1koq h ALA 199 Cb 1.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1koq h ALA 199 CO -0.00 0.75 0.01 1.96 0.00 0.00 0.00 179.25 181.97 1koq h GLN 200 N 0.29 0.69 -0.27 0.00 4.20 -1.28 -1.07 115.11 117.67 1koq h GLN 200 Ca -0.02 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.42 1koq h GLN 200 Cb 1.27 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 1koq h GLN 200 CO 0.12 0.78 -0.06 0.00 -0.67 0.00 0.00 178.83 179.00 1koq h ALA 201 N 0.89 1.39 -0.28 3.87 0.00 -1.52 -2.60 119.26 121.01 1koq h ALA 201 Ca 0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1koq h ALA 201 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1koq h ALA 201 CO 0.02 0.42 -0.25 1.49 0.00 0.00 0.00 179.25 180.93 1koq h GLU 202 N 0.41 0.67 -0.67 0.00 4.81 -1.08 -2.55 114.58 116.16 1koq h GLU 202 Ca 0.09 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 58.93 1koq h GLU 202 Cb 0.37 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1koq h GLU 202 CO 0.02 0.95 0.27 -0.22 -0.73 0.00 0.00 179.01 179.29 1koq h LYS 203 N 0.41 0.99 0.43 1.92 3.64 -1.01 -1.82 116.57 121.14 1koq h LYS 203 Ca 0.05 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1koq h LYS 203 Cb 0.81 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1koq h LYS 203 CO 0.06 0.81 -0.31 0.35 -2.27 0.00 0.00 179.45 178.09 1koq h PHE 204 N 0.97 -0.83 -0.72 1.91 3.57 -1.37 -1.27 116.94 119.20 1koq h PHE 204 Ca 0.23 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.83 1koq h PHE 204 Cb 0.19 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 1koq h PHE 204 CO 0.02 -0.47 0.33 1.15 -2.23 0.00 0.00 178.31 177.11 1koq h THR 205 N -0.73 0.78 -0.52 4.41 2.02 -1.28 -0.44 112.91 117.14 1koq h THR 205 Ca -0.04 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1koq h THR 205 Cb 0.62 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1koq h THR 205 CO 0.01 0.10 0.20 0.03 0.37 0.00 0.00 175.52 176.23 1koq h ARG 206 N 0.54 0.76 -0.20 6.66 3.08 -1.07 0.56 114.38 124.71 1koq h ARG 206 Ca 0.37 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 60.12 1koq h ARG 206 Cb 0.46 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.38 1koq h ARG 206 CO -0.32 0.63 -0.62 0.00 -1.07 0.00 0.00 179.97 178.60 1koq h ALA 207 N 1.47 0.34 0.03 0.04 0.00 0.00 -3.32 119.26 117.82 1koq h ALA 207 Ca 0.18 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 1koq h ALA 207 Cb 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1koq h ALA 207 CO -0.02 0.60 -0.67 0.28 0.00 0.00 0.00 179.25 179.44 1koq h VAL 208 N 0.49 1.43 0.00 0.00 2.07 -0.90 -3.42 116.25 115.93 1koq h VAL 208 Ca -0.02 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.33 1koq h VAL 208 Cb 1.24 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1koq h VAL 208 CO 0.13 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1koq n GLY 209 N 1.17 0.77 3.61 2.17 0.00 0.19 -4.84 105.19 108.27 1koq n GLY 209 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1koq n GLY 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1koq s SER 210 N -1.83 -0.07 0.32 1.61 1.04 -1.20 -5.00 113.70 108.57 1koq s SER 210 Ca 0.00 -0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.06 1koq s SER 210 Cb 0.00 0.14 -0.10 0.00 0.10 0.00 0.00 66.02 66.16 1koq s SER 210 CO 0.00 -0.26 1.23 -1.61 0.98 0.00 0.00 173.24 173.58 1koq s GLU 211 N -2.39 4.42 -0.36 4.02 2.02 -1.26 -4.82 118.70 120.34 1koq s GLU 211 Ca 0.13 2.05 0.08 0.00 0.02 0.00 0.00 54.97 57.25 1koq s GLU 211 Cb 0.03 -3.08 0.45 0.00 0.10 0.00 0.00 34.13 31.63 1koq s GLU 211 CO -0.04 -0.07 1.12 0.27 0.02 0.00 0.00 175.26 176.56 1koq n ASN 212 N 0.86 4.24 -4.67 -0.19 6.94 -0.97 -4.81 115.26 116.66 1koq n ASN 212 Ca -0.00 -3.50 -0.35 0.00 -0.02 0.00 0.00 54.58 50.71 1koq n ASN 212 Cb 0.43 -0.42 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 1koq n ASN 212 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1koq s ASN 213 N -3.54 5.44 0.12 0.53 4.22 -1.26 -4.70 114.94 115.75 1koq s ASN 213 Ca 0.45 0.13 -0.19 0.00 -2.14 0.00 0.00 52.86 51.12 1koq s ASN 213 Cb 0.40 -1.73 -0.07 0.00 1.28 0.00 0.00 41.25 41.13 1koq s ASN 213 CO -0.07 0.30 0.61 -0.60 -2.04 0.00 0.00 177.10 175.30 1koq s ARG 214 N -0.38 4.21 0.59 3.55 3.52 -1.26 -5.04 118.95 124.14 1koq s ARG 214 Ca 0.08 0.76 -0.19 0.00 -0.13 0.00 0.00 55.73 56.25 1koq s ARG 214 Cb -0.12 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1koq s ARG 214 CO 0.02 0.57 1.24 -1.25 -0.81 0.00 0.00 175.30 175.06 1koq s PRO 215 N -1.40 2.94 0.43 5.12 0.04 -1.26 -4.70 135.00 136.17 1koq s PRO 215 Ca 0.33 1.91 -0.26 0.00 0.04 0.00 0.00 61.00 63.02 1koq s PRO 215 Cb -0.19 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1koq s PRO 215 CO 0.20 -1.25 1.40 1.33 0.04 0.00 0.00 177.00 178.72 1koq n VAL 216 N -1.55 2.58 -4.14 -0.36 0.24 -1.26 -4.44 118.33 109.40 1koq n VAL 216 Ca 0.13 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.34 61.69 1koq n VAL 216 Cb 0.49 -1.79 -0.06 0.00 -1.47 0.00 0.00 33.84 31.01 1koq n VAL 216 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1koq s GLN 217 N -2.32 2.74 0.31 7.34 -1.52 0.14 -4.95 119.66 121.40 1koq s GLN 217 Ca 0.60 -1.05 -0.29 0.00 -1.95 0.00 0.00 55.36 52.67 1koq s GLN 217 Cb -0.47 -2.50 -0.10 0.00 -0.22 0.00 0.00 33.01 29.71 1koq s GLN 217 CO 0.59 0.44 1.38 -2.14 -0.25 0.00 0.00 175.29 175.30 1koq s PRO 218 N -3.38 4.29 0.28 2.91 0.02 -1.26 -4.54 135.00 133.32 1koq s PRO 218 Ca 0.31 2.29 0.08 0.00 0.02 0.00 0.00 61.00 63.70 1koq s PRO 218 Cb -0.09 -3.07 0.41 0.00 0.02 0.00 0.00 34.50 31.77 1koq s PRO 218 CO 0.22 -0.32 1.65 -0.07 -0.33 0.00 0.00 177.00 178.16 1koq h LEU 219 N 3.97 0.14 0.00 -5.54 3.38 -1.92 -3.43 115.31 111.90 1koq h LEU 219 Ca -0.48 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1koq h LEU 219 Cb 1.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1koq h LEU 219 CO 0.70 0.64 0.00 0.59 0.09 0.00 0.00 178.44 180.46 1koq n ASN 220 N -3.92 0.00 -0.06 -0.43 3.02 -1.26 -1.70 115.26 110.91 1koq n ASN 220 Ca -0.02 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.67 1koq n ASN 220 Cb 0.55 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 40.35 1koq n ASN 220 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1koq n ALA 221 N 12.06 2.68 -1.78 5.41 0.00 -1.26 -4.92 120.51 132.71 1koq n ALA 221 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 53.44 52.85 1koq n ALA 221 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 1koq n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1koq s ARG 222 N -2.61 4.22 -0.06 0.00 0.52 -0.69 -5.07 118.95 115.27 1koq s ARG 222 Ca 0.26 1.60 0.05 0.00 -0.52 0.00 0.00 55.73 57.12 1koq s ARG 222 Cb 0.20 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 1koq s ARG 222 CO 0.49 -0.11 -0.24 0.08 0.02 0.00 0.00 175.30 175.55 1koq s VAL 223 N -1.54 2.15 -0.17 3.52 1.01 -1.26 -4.96 120.40 119.15 1koq s VAL 223 Ca 0.56 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1koq s VAL 223 Cb -0.25 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1koq s VAL 223 CO 0.31 0.57 0.24 -0.69 0.00 0.00 0.00 175.10 175.53 1koq s VAL 224 N -0.12 5.34 -0.07 2.92 1.01 -1.26 -4.71 120.40 123.51 1koq s VAL 224 Ca -0.05 0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 1koq s VAL 224 Cb -0.14 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1koq s VAL 224 CO 0.04 0.41 0.03 -0.63 0.00 0.00 0.00 175.10 174.96 1koq s ILE 225 N 0.39 4.52 0.00 2.22 1.01 0.03 -0.85 121.20 128.52 1koq s ILE 225 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1koq s ILE 225 Cb -0.12 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1koq s ILE 225 CO 0.02 0.54 0.23 -1.84 0.00 0.00 0.00 174.94 173.89