#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kbk s SER 3 N 0.00 6.94 0.58 7.72 0.15 -1.26 -4.91 113.70 122.91 1kbk s SER 3 Ca 0.00 1.12 0.31 0.00 0.70 0.00 0.00 55.95 58.08 1kbk s SER 3 Cb 0.00 -2.38 1.77 0.00 -1.71 0.00 0.00 66.02 63.70 1kbk s SER 3 CO 0.00 -0.03 2.21 -0.65 1.20 0.00 0.00 173.24 175.97 1kbk h PRO 4 N 6.39 0.00 -0.65 5.44 0.11 -1.96 -3.38 132.00 137.96 1kbk h PRO 4 Ca -0.42 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.45 1kbk h PRO 4 Cb 1.19 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 1kbk h PRO 4 CO 0.74 0.04 -0.22 0.09 -0.21 0.00 0.00 178.00 178.43 1kbk n ASN 5 N -3.69 -4.35 -4.82 -2.05 3.02 -1.26 -4.76 115.26 97.34 1kbk n ASN 5 Ca -0.03 0.26 -0.30 0.00 -0.03 0.00 0.00 54.58 54.49 1kbk n ASN 5 Cb 0.13 -2.94 0.09 0.00 -0.61 0.00 0.00 39.78 36.46 1kbk n ASN 5 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kbk s THR 6 N -2.45 2.85 0.74 3.41 -4.23 -1.26 -4.96 115.64 109.74 1kbk s THR 6 Ca 0.00 0.28 -0.11 0.00 -1.18 0.00 0.00 61.69 60.68 1kbk s THR 6 Cb 0.00 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.80 1kbk s THR 6 CO 0.00 -0.36 1.08 -1.58 -0.54 0.00 0.00 174.62 173.22 1kbk s GLN 7 N -5.24 2.53 0.00 3.99 0.74 -1.26 -4.93 119.66 115.49 1kbk s GLN 7 Ca 0.61 1.08 0.00 0.00 0.05 0.00 0.00 55.36 57.10 1kbk s GLN 7 Cb -0.14 -1.93 0.00 0.00 1.10 0.00 0.00 33.01 32.04 1kbk s GLN 7 CO 0.53 -1.42 0.00 1.04 -0.55 0.00 0.00 175.29 174.89 1kbk n GLN 8 N -3.36 0.00 -2.02 1.67 1.13 -1.26 -2.06 117.38 111.49 1kbk n GLN 8 Ca 0.08 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.81 1kbk n GLN 8 Cb 0.53 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.91 1kbk n GLN 8 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kbk n GLY 9 N -0.09 5.82 3.21 1.08 0.00 -1.26 -4.94 105.19 109.01 1kbk n GLY 9 Ca 0.00 -2.56 -0.34 0.00 0.00 0.00 0.00 46.02 43.12 1kbk n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kbk s ARG 10 N -3.83 3.16 0.00 1.61 0.52 -0.87 -4.74 118.95 114.80 1kbk s ARG 10 Ca 0.53 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 55.06 1kbk s ARG 10 Cb 0.43 -2.71 0.16 0.00 0.52 0.00 0.00 34.95 33.35 1kbk s ARG 10 CO -0.24 -0.15 1.03 0.25 0.02 0.00 0.00 175.30 176.21 1kbk n THR 11 N 4.53 0.66 -4.09 0.02 -2.24 -1.26 -4.64 114.28 107.25 1kbk n THR 11 Ca -0.20 -0.83 -0.09 0.00 -2.27 0.00 0.00 64.05 60.67 1kbk n THR 11 Cb 0.51 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 1kbk n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1kbk s SER 12 N -0.87 0.66 0.19 3.42 0.01 -1.26 -4.17 113.70 111.67 1kbk s SER 12 Ca 0.13 -0.90 0.10 0.00 1.31 0.00 0.00 55.95 56.59 1kbk s SER 12 Cb 0.08 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 1kbk s SER 12 CO 0.10 -0.50 -0.21 0.27 0.41 0.00 0.00 173.24 173.32 1kbk s ILE 13 N -3.34 2.07 -0.00 1.44 -4.36 -0.92 -0.21 121.20 115.88 1kbk s ILE 13 Ca 0.04 -2.01 0.08 0.00 -0.26 0.00 0.00 60.65 58.50 1kbk s ILE 13 Cb 0.04 -1.99 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 1kbk s ILE 13 CO -0.07 -0.25 -0.24 0.54 0.24 0.00 0.00 174.94 175.17 1kbk s VAL 14 N -1.96 1.87 -0.54 8.37 0.11 -0.39 -0.58 120.40 127.28 1kbk s VAL 14 Ca 0.19 -1.08 -0.20 0.00 -2.93 0.00 0.00 61.98 57.96 1kbk s VAL 14 Cb -0.06 -1.56 0.07 0.00 -1.53 0.00 0.00 36.38 33.29 1kbk s VAL 14 CO 0.09 0.46 0.69 -2.28 -3.33 0.00 0.00 175.10 170.73 1kbk s HIS 15 N -0.61 2.99 -1.24 1.54 2.46 0.37 -0.95 115.29 119.85 1kbk s HIS 15 Ca 0.09 -0.61 -0.12 0.00 0.47 0.00 0.00 55.06 54.89 1kbk s HIS 15 Cb -0.09 -3.75 0.17 0.00 -0.13 0.00 0.00 32.58 28.78 1kbk s HIS 15 CO -0.00 -1.17 1.59 1.28 -2.47 0.00 0.00 174.74 173.97 1kbk n LEU 16 N 6.42 5.70 -4.60 8.88 4.77 -1.09 -2.06 117.00 135.01 1kbk n LEU 16 Ca -0.06 -4.52 -0.47 0.00 -0.03 0.00 0.00 56.01 50.92 1kbk n LEU 16 Cb 0.45 -1.57 -0.05 0.00 -2.33 0.00 0.00 43.42 39.92 1kbk n LEU 16 CO 0.57 0.94 1.66 0.33 -1.33 0.00 0.00 177.39 179.56 1kbk n PHE 17 N 5.05 2.07 -1.04 -1.77 7.35 -1.19 -2.42 117.46 125.52 1kbk n PHE 17 Ca 0.38 0.01 -0.01 0.00 -0.76 0.00 0.00 57.45 57.07 1kbk n PHE 17 Cb 0.41 -2.66 -0.01 0.00 0.35 0.00 0.00 39.48 37.57 1kbk n PHE 17 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1kbk n GLU 18 N 7.59 -1.17 -2.01 -4.13 -0.58 -1.26 -4.85 120.64 114.22 1kbk n GLU 18 Ca 0.29 0.37 -0.34 0.00 -0.42 0.00 0.00 57.16 57.05 1kbk n GLU 18 Cb 0.32 -4.28 0.03 0.00 -0.57 0.00 0.00 31.44 26.93 1kbk n GLU 18 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1kbk s TRP 19 N -1.51 2.59 0.43 -0.32 0.52 -1.01 -4.91 118.94 114.73 1kbk s TRP 19 Ca 0.00 1.55 -0.19 0.00 0.02 0.00 0.00 56.10 57.47 1kbk s TRP 19 Cb 0.00 -3.28 -0.10 0.00 -1.15 0.00 0.00 33.47 28.94 1kbk s TRP 19 CO 0.00 -1.74 0.93 1.03 0.02 0.00 0.00 176.95 177.19 1kbk s ARG 20 N -3.61 4.14 0.24 4.98 0.52 -1.26 -4.78 118.95 119.19 1kbk s ARG 20 Ca 0.71 1.02 -0.05 0.00 -0.52 0.00 0.00 55.73 56.90 1kbk s ARG 20 Cb -0.24 -2.21 0.35 0.00 0.52 0.00 0.00 34.95 33.37 1kbk s ARG 20 CO 0.34 -0.05 1.84 -1.49 0.02 0.00 0.00 175.30 175.96 1kbk h TRP 21 N 1.76 0.97 -0.65 -0.53 -0.00 -1.40 -2.18 115.95 113.93 1kbk h TRP 21 Ca -0.48 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.41 1kbk h TRP 21 Cb 1.18 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 30.00 1kbk h TRP 21 CO 0.62 0.47 0.29 -0.24 -0.00 0.00 0.00 178.44 179.59 1kbk h VAL 22 N 0.94 1.22 -0.26 1.49 3.04 -1.84 -1.68 116.25 119.15 1kbk h VAL 22 Ca 0.38 -0.64 -0.17 0.00 -1.01 0.00 0.00 66.70 65.26 1kbk h VAL 22 Cb 0.21 0.40 -0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1kbk h VAL 22 CO -0.19 0.26 -0.52 0.44 -1.01 0.00 0.00 177.57 176.56 1kbk h ASP 23 N 0.93 0.82 -0.47 3.17 3.32 -1.80 -2.66 116.42 119.73 1kbk h ASP 23 Ca 0.22 -0.42 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 1kbk h ASP 23 Cb 0.13 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1kbk h ASP 23 CO -0.03 1.18 -0.07 0.40 -1.72 0.00 0.00 179.24 179.01 1kbk h ILE 24 N 0.58 1.26 -0.14 0.35 2.04 -1.17 -0.44 117.51 119.98 1kbk h ILE 24 Ca 0.02 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.73 1kbk h ILE 24 Cb 1.09 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1kbk h ILE 24 CO 0.11 0.41 -0.03 0.00 0.00 0.00 0.00 178.15 178.64 1kbk h ALA 25 N 1.07 0.10 -0.39 1.87 0.00 -1.20 0.79 119.26 121.50 1kbk h ALA 25 Ca 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1kbk h ALA 25 Cb 0.59 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1kbk h ALA 25 CO 0.04 -0.48 0.19 -0.07 0.00 0.00 0.00 179.25 178.93 1kbk h LEU 26 N 0.01 0.51 -1.13 0.00 3.38 -1.31 -2.77 115.31 114.00 1kbk h LEU 26 Ca 0.07 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1kbk h LEU 26 Cb 0.10 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1kbk h LEU 26 CO -0.14 0.50 0.60 -0.08 0.09 0.00 0.00 178.44 179.40 1kbk h GLU 27 N 0.49 1.00 -0.39 1.13 4.57 -0.57 0.47 114.58 121.29 1kbk h GLU 27 Ca 0.13 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1kbk h GLU 27 Cb 0.12 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 1kbk h GLU 27 CO -0.02 0.66 0.20 0.00 -1.18 0.00 0.00 179.01 178.68 1kbk h GLU 29 N 0.41 0.44 0.00 0.00 5.08 -1.25 -1.03 114.58 118.24 1kbk h GLU 29 Ca 0.16 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1kbk h GLU 29 Cb 0.05 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1kbk h GLU 29 CO -0.10 1.01 -0.63 0.07 -1.00 0.00 0.00 179.01 178.36 1kbk h ARG 30 N -0.01 0.00 0.00 2.33 0.11 -0.96 -3.43 114.38 112.43 1kbk h ARG 30 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1kbk h ARG 30 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1kbk h ARG 30 CO 0.09 0.05 -0.06 0.98 0.10 0.00 0.00 179.97 181.13 1kbk n TYR 31 N -2.88 -1.52 -0.12 4.08 9.36 -0.54 -4.82 117.16 120.71 1kbk n TYR 31 Ca 0.01 0.27 -0.05 0.00 3.32 0.00 0.00 57.90 61.45 1kbk n TYR 31 Cb 0.57 0.46 0.03 0.00 -0.63 0.00 0.00 39.34 39.77 1kbk n TYR 31 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1kbk h LEU 32 N 0.00 -0.10 0.46 2.98 3.38 -1.25 -0.72 115.31 120.06 1kbk h LEU 32 Ca 0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1kbk h LEU 32 Cb 0.06 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1kbk h LEU 32 CO 0.00 -0.02 -0.22 0.00 0.09 0.00 0.00 178.44 178.29 1kbk h ALA 33 N 1.33 -0.62 0.00 1.53 0.00 -1.41 -0.78 119.26 119.31 1kbk h ALA 33 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kbk h ALA 33 Cb 0.26 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1kbk h ALA 33 CO -0.30 -0.74 0.00 -1.00 0.00 0.00 0.00 179.25 177.21 1kbk h PRO 34 N -0.85 0.00 -0.19 0.00 0.13 -1.79 -2.49 132.00 126.81 1kbk h PRO 34 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1kbk h PRO 34 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1kbk h PRO 34 CO 0.10 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.50 1kbk n LYS 35 N -3.08 2.25 -0.96 0.86 4.01 -0.28 -4.98 118.16 115.97 1kbk n LYS 35 Ca -0.02 -1.86 0.00 0.00 -0.51 0.00 0.00 58.31 55.93 1kbk n LYS 35 Cb 0.15 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 1kbk n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1kbk n GLY 36 N 1.37 0.40 3.76 0.72 0.00 -0.94 -4.65 105.19 105.86 1kbk n GLY 36 Ca 0.17 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 1kbk n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kbk s PHE 37 N -2.00 3.52 0.08 1.61 0.40 -0.33 -4.49 117.98 116.76 1kbk s PHE 37 Ca 0.00 1.70 0.01 0.00 -0.60 0.00 0.00 56.93 58.04 1kbk s PHE 37 Cb 0.00 -3.22 -0.25 0.00 0.51 0.00 0.00 43.02 40.06 1kbk s PHE 37 CO 0.00 -0.50 1.16 0.78 0.70 0.00 0.00 175.22 177.36 1kbk h GLY 38 N 3.45 0.17 -1.36 4.36 0.00 -0.87 -3.44 103.07 105.38 1kbk h GLY 38 Ca -0.47 -0.43 0.25 0.00 0.00 0.00 0.00 47.33 46.68 1kbk h GLY 38 CO 0.66 0.37 0.67 0.61 0.00 0.00 0.00 176.54 178.84 1kbk n GLY 39 N 1.47 0.35 2.95 4.60 0.00 -1.08 -2.21 105.19 111.28 1kbk n GLY 39 Ca -0.06 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1kbk n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kbk s VAL 40 N -2.06 0.68 -0.23 1.61 1.01 0.76 -1.26 120.40 120.90 1kbk s VAL 40 Ca 0.22 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1kbk s VAL 40 Cb -0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1kbk s VAL 40 CO -0.00 0.24 0.35 -1.58 0.00 0.00 0.00 175.10 174.10 1kbk s GLN 41 N 0.52 4.10 0.25 2.72 0.74 -0.12 -0.67 119.66 127.20 1kbk s GLN 41 Ca -0.08 0.06 0.06 0.00 0.05 0.00 0.00 55.36 55.46 1kbk s GLN 41 Cb -0.11 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 1kbk s GLN 41 CO 0.01 -0.10 0.28 0.14 -0.55 0.00 0.00 175.29 175.06 1kbk s VAL 42 N 1.53 4.72 0.78 1.34 -7.23 -0.58 -2.68 120.40 118.29 1kbk s VAL 42 Ca 0.16 -1.21 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 1kbk s VAL 42 Cb -0.15 -3.58 0.06 0.00 0.56 0.00 0.00 36.38 33.27 1kbk s VAL 42 CO 0.08 -0.32 1.08 -0.44 -0.31 0.00 0.00 175.10 175.19 1kbk s SER 43 N -3.92 4.52 -0.32 4.85 0.01 -1.26 -2.96 113.70 114.61 1kbk s SER 43 Ca 0.34 1.57 -0.41 0.00 1.31 0.00 0.00 55.95 58.76 1kbk s SER 43 Cb -0.08 -2.32 -0.16 0.00 0.21 0.00 0.00 66.02 63.66 1kbk s SER 43 CO 0.27 -1.99 1.74 -2.65 0.41 0.00 0.00 173.24 171.01 1kbk n PRO 44 N -3.47 0.97 0.00 12.44 -0.02 -1.26 -4.56 135.00 139.10 1kbk n PRO 44 Ca 0.08 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 62.05 1kbk n PRO 44 Cb 0.54 -2.01 0.61 0.00 -0.02 0.00 0.00 33.50 32.62 1kbk n PRO 44 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1kbk n PRO 45 N 5.24 0.90 -3.45 0.52 -0.04 -1.26 -4.91 135.00 132.00 1kbk n PRO 45 Ca 0.28 -0.35 -0.31 0.00 -0.04 0.00 0.00 63.50 63.08 1kbk n PRO 45 Cb 0.10 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1kbk n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kbk s ASN 46 N -2.35 6.55 0.16 3.54 2.20 -1.26 -2.94 114.94 120.84 1kbk s ASN 46 Ca 0.32 0.80 -0.34 0.00 -0.94 0.00 0.00 52.86 52.70 1kbk s ASN 46 Cb 0.20 -2.18 -0.15 0.00 -2.00 0.00 0.00 41.25 37.12 1kbk s ASN 46 CO 0.45 -0.08 1.33 1.21 -2.94 0.00 0.00 177.10 177.07 1kbk n GLU 47 N -0.28 1.48 -4.50 3.55 2.13 0.21 -4.79 120.64 118.44 1kbk n GLU 47 Ca -0.01 0.53 -0.24 0.00 0.66 0.00 0.00 57.16 58.10 1kbk n GLU 47 Cb 0.53 -2.14 -0.10 0.00 0.27 0.00 0.00 31.44 29.99 1kbk n GLU 47 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1kbk s ASN 48 N 0.34 2.72 0.26 4.31 4.22 -1.26 -1.46 114.94 124.07 1kbk s ASN 48 Ca 0.77 -1.47 -0.29 0.00 -2.14 0.00 0.00 52.86 49.72 1kbk s ASN 48 Cb -0.82 0.09 -0.09 0.00 1.28 0.00 0.00 41.25 41.71 1kbk s ASN 48 CO 0.48 -0.70 1.15 -0.69 -2.04 0.00 0.00 177.10 175.30 1kbk s VAL 49 N -3.20 3.41 -0.47 3.54 1.01 -0.77 -1.53 120.40 122.39 1kbk s VAL 49 Ca 0.31 1.35 -0.20 0.00 0.00 0.00 0.00 61.98 63.44 1kbk s VAL 49 Cb 0.07 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1kbk s VAL 49 CO 0.14 0.30 0.66 0.00 0.00 0.00 0.00 175.10 176.20 1kbk s ALA 50 N -0.88 3.34 -0.23 5.51 0.00 0.27 -4.73 121.76 125.05 1kbk s ALA 50 Ca 0.47 -1.39 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 1kbk s ALA 50 Cb -0.33 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1kbk s ALA 50 CO 0.42 -1.91 0.25 0.42 0.00 0.00 0.00 175.76 174.94 1kbk s ILE 51 N 2.84 5.30 -0.52 0.00 -1.09 -1.26 -4.77 121.20 121.70 1kbk s ILE 51 Ca 0.21 0.38 0.17 0.00 -2.23 0.00 0.00 60.65 59.18 1kbk s ILE 51 Cb -0.16 -3.59 -0.21 0.00 -1.58 0.00 0.00 42.46 36.92 1kbk s ILE 51 CO 0.17 0.31 0.59 -1.22 -1.23 0.00 0.00 174.94 173.55 1kbk n TYR 52 N 4.38 0.00 -3.66 3.97 4.01 -1.26 -0.20 117.16 124.40 1kbk n TYR 52 Ca -0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.32 1kbk n TYR 52 Cb 0.52 -0.14 -0.15 0.00 -0.31 0.00 0.00 39.34 39.26 1kbk n TYR 52 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1kbk s ASN 53 N -3.07 3.79 1.10 7.72 2.47 -1.26 -2.27 114.94 123.41 1kbk s ASN 53 Ca 0.02 -1.66 -0.13 0.00 0.42 0.00 0.00 52.86 51.50 1kbk s ASN 53 Cb 0.12 -0.70 0.24 0.00 -1.45 0.00 0.00 41.25 39.46 1kbk s ASN 53 CO 0.70 -0.40 1.06 -2.16 -3.72 0.00 0.00 177.10 172.57 1kbk s PRO 54 N 1.61 -0.37 -0.55 0.43 0.04 -1.26 -5.06 135.00 129.84 1kbk s PRO 54 Ca 0.11 0.57 -0.28 0.00 0.04 0.00 0.00 61.00 61.45 1kbk s PRO 54 Cb -0.18 -1.64 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 1kbk s PRO 54 CO -0.24 -3.29 1.59 0.12 0.04 0.00 0.00 177.00 175.22 1kbk s PHE 55 N -2.75 2.04 -1.04 0.56 2.19 -0.96 -4.30 117.98 113.72 1kbk s PHE 55 Ca 0.67 0.56 -0.18 0.00 0.33 0.00 0.00 56.93 58.31 1kbk s PHE 55 Cb -0.21 -4.28 0.02 0.00 -1.31 0.00 0.00 43.02 37.24 1kbk s PHE 55 CO 0.60 -2.22 0.68 0.54 1.83 0.00 0.00 175.22 176.66 1kbk n ARG 56 N 8.80 -0.95 -1.30 10.12 5.12 0.72 -4.58 116.66 134.58 1kbk n ARG 56 Ca 0.16 0.48 -0.31 0.00 -1.93 0.00 0.00 57.85 56.24 1kbk n ARG 56 Cb 0.50 -2.99 0.09 0.00 -1.16 0.00 0.00 32.46 28.89 1kbk n ARG 56 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1kbk s PRO 57 N -5.99 2.25 0.34 5.56 0.04 -1.26 -3.68 135.00 132.25 1kbk s PRO 57 Ca 0.29 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.59 1kbk s PRO 57 Cb -0.14 -1.89 0.59 0.00 0.04 0.00 0.00 34.50 33.10 1kbk s PRO 57 CO 0.91 -1.65 1.97 0.11 0.04 0.00 0.00 177.00 178.37 1kbk h TRP 58 N -0.99 0.78 0.00 0.56 5.08 -1.63 -2.76 115.95 116.98 1kbk h TRP 58 Ca -0.44 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.52 1kbk h TRP 58 Cb 1.24 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 1kbk h TRP 58 CO 0.57 0.54 0.00 -2.67 -1.28 0.00 0.00 178.44 175.60 1kbk n TRP 59 N -4.40 0.00 0.27 0.12 4.27 -1.26 -2.81 117.44 113.64 1kbk n TRP 59 Ca 0.05 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.81 1kbk n TRP 59 Cb 0.09 -0.21 0.75 0.00 -1.36 0.00 0.00 31.31 30.59 1kbk n TRP 59 CO 0.00 0.00 0.00 1.05 -2.29 0.00 0.00 177.69 176.45 1kbk h GLU 60 N 0.00 0.00 0.00 -2.67 4.11 -1.81 -2.40 114.58 111.81 1kbk h GLU 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1kbk h GLU 60 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1kbk h GLU 60 CO 0.00 0.09 0.00 0.54 0.07 0.00 0.00 179.01 179.71 1kbk n ARG 61 N -3.38 0.38 -0.73 1.06 1.74 -1.12 -2.34 116.66 112.27 1kbk n ARG 61 Ca -0.01 0.07 0.03 0.00 -0.77 0.00 0.00 57.85 57.17 1kbk n ARG 61 Cb 0.26 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.49 1kbk n ARG 61 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1kbk n TYR 62 N -1.22 1.59 -3.71 -1.55 4.01 -0.90 -4.69 117.16 110.68 1kbk n TYR 62 Ca 0.11 -1.03 -0.28 0.00 -0.16 0.00 0.00 57.90 56.54 1kbk n TYR 62 Cb 0.14 -0.48 -0.12 0.00 -0.31 0.00 0.00 39.34 38.58 1kbk n TYR 62 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1kbk s GLN 63 N -2.92 1.74 0.52 -0.72 -0.21 -0.99 -4.90 119.66 112.19 1kbk s GLN 63 Ca 0.48 -2.67 -0.23 0.00 0.02 0.00 0.00 55.36 52.97 1kbk s GLN 63 Cb 0.39 -2.60 -0.06 0.00 1.00 0.00 0.00 33.01 31.74 1kbk s GLN 63 CO 0.10 -1.28 1.38 -2.14 -2.12 0.00 0.00 175.29 171.23 1kbk s PRO 64 N -0.58 3.26 0.00 2.91 0.02 -1.26 -1.84 135.00 137.52 1kbk s PRO 64 Ca 0.25 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1kbk s PRO 64 Cb -0.07 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.10 1kbk s PRO 64 CO -0.13 -1.11 0.00 0.28 -0.33 0.00 0.00 177.00 175.70 1kbk n VAL 65 N -0.84 0.00 -3.68 3.83 0.31 -0.53 -2.47 118.33 114.95 1kbk n VAL 65 Ca 0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.40 1kbk n VAL 65 Cb 0.44 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.51 1kbk n VAL 65 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1kbk n SER 66 N -1.96 -1.15 -1.05 4.52 3.41 -1.21 -4.76 113.62 111.43 1kbk n SER 66 Ca 0.00 -1.64 0.08 0.00 -0.26 0.00 0.00 58.87 57.05 1kbk n SER 66 Cb 0.46 1.87 0.27 0.00 -0.26 0.00 0.00 64.21 66.55 1kbk n SER 66 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1kbk n TYR 67 N -0.43 1.05 -2.32 7.33 4.01 -1.26 -3.67 117.16 121.87 1kbk n TYR 67 Ca -0.02 -0.75 -0.41 0.00 -0.16 0.00 0.00 57.90 56.56 1kbk n TYR 67 Cb 0.36 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 1kbk n TYR 67 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1kbk s LYS 68 N -2.32 4.50 -1.28 -0.72 1.02 -1.26 -4.79 119.74 114.89 1kbk s LYS 68 Ca 0.41 1.97 -0.15 0.00 0.02 0.00 0.00 55.97 58.21 1kbk s LYS 68 Cb 0.30 -3.17 0.11 0.00 -0.52 0.00 0.00 37.83 34.55 1kbk s LYS 68 CO 0.13 -0.03 1.68 1.28 -0.92 0.00 0.00 175.35 177.50 1kbk n LEU 69 N 1.59 5.33 -3.38 3.17 4.77 -1.26 -0.62 117.00 126.61 1kbk n LEU 69 Ca 0.01 -4.19 -0.15 0.00 -0.03 0.00 0.00 56.01 51.66 1kbk n LEU 69 Cb 0.44 -1.68 -0.09 0.00 -2.33 0.00 0.00 43.42 39.76 1kbk n LEU 69 CO 0.56 0.53 -0.14 0.00 -1.33 0.00 0.00 177.39 177.01 1kbk n THR 71 N 5.33 0.00 0.33 0.00 -2.24 -0.80 -3.82 114.28 113.08 1kbk n THR 71 Ca -0.02 -1.68 0.09 0.00 -2.27 0.00 0.00 64.05 60.17 1kbk n THR 71 Cb 0.48 0.85 0.38 0.00 -2.10 0.00 0.00 70.33 69.94 1kbk n THR 71 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1kbk n ARG 72 N -0.44 0.10 0.18 -0.78 1.74 -1.26 -1.48 116.66 114.72 1kbk n ARG 72 Ca 0.05 0.42 0.12 0.00 -0.77 0.00 0.00 57.85 57.67 1kbk n ARG 72 Cb 0.42 -1.72 0.12 0.00 -1.02 0.00 0.00 32.46 30.26 1kbk n ARG 72 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1kbk h SER 73 N 0.00 0.00 -3.11 0.55 0.02 -1.91 -3.43 113.55 105.67 1kbk h SER 73 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kbk h SER 73 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1kbk h SER 73 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1kbk n GLY 74 N 1.13 0.81 1.85 -3.77 0.00 -0.55 -0.96 105.19 103.70 1kbk n GLY 74 Ca 0.03 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 1kbk n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kbk n ASN 75 N 0.00 0.91 -0.13 1.61 0.23 -1.26 -1.91 115.26 114.71 1kbk n ASN 75 Ca 0.00 -1.68 -0.02 0.00 -0.53 0.00 0.00 54.58 52.35 1kbk n ASN 75 Cb 0.00 -0.23 0.20 0.00 -2.08 0.00 0.00 39.78 37.67 1kbk n ASN 75 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1kbk h GLU 76 N 0.00 0.82 -0.38 -3.83 4.81 -1.57 -1.17 114.58 113.26 1kbk h GLU 76 Ca -0.14 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1kbk h GLU 76 Cb 0.59 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1kbk h GLU 76 CO 0.18 0.73 0.16 -0.44 -0.73 0.00 0.00 179.01 178.91 1kbk h ASP 77 N 0.80 0.51 -0.23 1.04 3.32 -1.95 -0.48 116.42 119.42 1kbk h ASP 77 Ca 0.18 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1kbk h ASP 77 Cb 0.26 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1kbk h ASP 77 CO -0.01 0.53 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.60 1kbk h GLU 78 N 0.47 0.63 -0.15 3.56 5.08 -1.89 -0.84 114.58 121.43 1kbk h GLU 78 Ca 0.13 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1kbk h GLU 78 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1kbk h GLU 78 CO -0.01 0.72 -0.00 0.35 -1.00 0.00 0.00 179.01 179.07 1kbk h PHE 79 N 0.57 0.29 -0.71 4.33 3.57 -0.86 -2.01 116.94 122.12 1kbk h PHE 79 Ca 0.10 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1kbk h PHE 79 Cb 0.53 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1kbk h PHE 79 CO 0.02 0.49 0.47 0.00 -2.23 0.00 0.00 178.31 177.06 1kbk h ARG 80 N -0.00 0.93 -0.73 1.11 3.08 -0.93 -2.05 114.38 115.79 1kbk h ARG 80 Ca 0.04 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1kbk h ARG 80 Cb 0.38 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1kbk h ARG 80 CO 0.01 0.62 0.46 -0.97 -1.07 0.00 0.00 179.97 179.01 1kbk h ASN 81 N 0.96 0.75 -0.20 7.04 -1.24 -1.05 -1.26 115.58 120.59 1kbk h ASN 81 Ca 0.26 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 1kbk h ASN 81 Cb -0.11 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 1kbk h ASN 81 CO -0.06 0.52 0.07 -0.03 -1.29 0.00 0.00 177.43 176.64 1kbk h MET 82 N 0.89 0.31 -0.56 6.67 4.05 -0.97 -1.15 114.93 124.18 1kbk h MET 82 Ca 0.30 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.64 1kbk h MET 82 Cb 0.03 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1kbk h MET 82 CO -0.12 0.39 0.29 0.28 0.23 0.00 0.00 176.91 177.98 1kbk h VAL 83 N 0.16 1.19 0.07 -5.77 2.07 -1.14 -0.79 116.25 112.05 1kbk h VAL 83 Ca 0.07 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1kbk h VAL 83 Cb 0.21 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1kbk h VAL 83 CO -0.00 0.22 -0.04 0.74 0.02 0.00 0.00 177.57 178.51 1kbk h THR 84 N 0.75 1.01 -0.75 2.57 2.02 -1.16 -0.58 112.91 116.77 1kbk h THR 84 Ca 0.19 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 1kbk h THR 84 Cb 0.08 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1kbk h THR 84 CO -0.03 0.07 0.23 0.03 0.37 0.00 0.00 175.52 176.19 1kbk h ARG 85 N -0.22 1.17 -0.32 6.66 3.08 -1.13 -1.05 114.38 122.57 1kbk h ARG 85 Ca -0.01 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 1kbk h ARG 85 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1kbk h ARG 85 CO 0.02 1.00 -0.09 0.00 -1.07 0.00 0.00 179.97 179.82 1kbk h ASN 87 N 0.39 0.86 0.67 0.00 -0.26 -0.96 0.35 115.58 116.63 1kbk h ASN 87 Ca 0.08 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1kbk h ASN 87 Cb 0.59 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1kbk h ASN 87 CO 0.03 0.75 0.00 0.78 -1.06 0.00 0.00 177.43 177.94 1kbk h ASN 88 N 0.94 0.00 -0.38 5.81 2.35 -1.08 -1.81 115.58 121.41 1kbk h ASN 88 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1kbk h ASN 88 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1kbk h ASN 88 CO -0.02 0.00 0.00 0.55 -1.65 0.00 0.00 177.43 176.31 1kbk n VAL 89 N -2.48 0.92 -0.90 2.81 3.14 -0.82 -4.98 118.33 116.02 1kbk n VAL 89 Ca 0.01 -0.96 0.00 0.00 -2.96 0.00 0.00 64.34 60.43 1kbk n VAL 89 Cb 0.21 0.56 0.00 0.00 -1.06 0.00 0.00 33.84 33.56 1kbk n VAL 89 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1kbk n GLY 90 N 0.69 0.47 3.31 7.55 0.00 -0.68 -4.79 105.19 111.74 1kbk n GLY 90 Ca 0.13 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1kbk n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kbk s VAL 91 N -2.00 3.57 0.66 1.61 1.01 0.05 -4.48 120.40 120.82 1kbk s VAL 91 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1kbk s VAL 91 Cb 0.00 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1kbk s VAL 91 CO 0.00 0.24 1.06 -0.13 0.00 0.00 0.00 175.10 176.27 1kbk s ARG 92 N 1.47 3.08 -0.10 2.72 3.00 -0.94 -3.24 118.95 124.94 1kbk s ARG 92 Ca 0.03 1.05 0.04 0.00 0.00 0.00 0.00 55.73 56.85 1kbk s ARG 92 Cb -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 34.95 32.79 1kbk s ARG 92 CO -0.01 -0.99 -0.22 0.42 0.00 0.00 0.00 175.30 174.50 1kbk s ILE 93 N -2.83 1.92 -0.12 1.52 -1.09 -1.26 -0.17 121.20 119.17 1kbk s ILE 93 Ca 0.60 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 1kbk s ILE 93 Cb -0.15 -1.67 0.01 0.00 -1.58 0.00 0.00 42.46 39.07 1kbk s ILE 93 CO 0.48 0.53 -0.21 -0.31 -1.23 0.00 0.00 174.94 174.20 1kbk s TYR 94 N 0.44 2.45 0.01 3.97 2.02 0.15 -0.77 117.35 125.62 1kbk s TYR 94 Ca -0.17 -1.17 -0.02 0.00 -0.37 0.00 0.00 57.07 55.35 1kbk s TYR 94 Cb -0.17 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1kbk s TYR 94 CO 0.07 -0.53 0.16 0.14 -1.57 0.00 0.00 175.55 173.82 1kbk s VAL 95 N 0.75 5.26 -0.63 0.71 -7.23 -0.88 -1.53 120.40 116.84 1kbk s VAL 95 Ca -0.10 -0.27 -0.28 0.00 -1.81 0.00 0.00 61.98 59.52 1kbk s VAL 95 Cb -0.16 -3.47 0.03 0.00 0.56 0.00 0.00 36.38 33.34 1kbk s VAL 95 CO 0.01 0.29 1.23 -0.62 -0.31 0.00 0.00 175.10 175.70 1kbk s ASP 96 N -2.02 6.34 -0.32 4.85 -1.08 -1.16 -1.32 116.67 121.96 1kbk s ASP 96 Ca 0.28 -0.08 -0.17 0.00 -0.52 0.00 0.00 52.55 52.06 1kbk s ASP 96 Cb -0.13 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.76 1kbk s ASP 96 CO 0.20 -1.62 0.48 0.00 0.52 0.00 0.00 175.17 174.75 1kbk s ALA 97 N 5.28 3.52 -0.70 3.66 0.00 0.03 -4.12 121.76 129.42 1kbk s ALA 97 Ca 0.41 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 1kbk s ALA 97 Cb -0.08 -2.92 0.18 0.00 0.00 0.00 0.00 23.12 20.30 1kbk s ALA 97 CO 0.22 -1.01 0.59 0.08 0.00 0.00 0.00 175.76 175.63 1kbk s VAL 98 N 2.29 4.75 -0.24 0.00 1.01 -1.26 -1.79 120.40 125.16 1kbk s VAL 98 Ca 0.18 -2.50 0.02 0.00 0.00 0.00 0.00 61.98 59.68 1kbk s VAL 98 Cb -0.16 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1kbk s VAL 98 CO 0.12 -0.94 0.60 2.30 0.00 0.00 0.00 175.10 177.18 1kbk n ILE 99 N 3.99 0.08 0.08 2.22 -5.35 -1.26 -4.63 119.36 114.50 1kbk n ILE 99 Ca 0.07 -0.54 -0.05 0.00 -0.27 0.00 0.00 62.75 61.96 1kbk n ILE 99 Cb 0.43 1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 1kbk n ILE 99 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1kbk h ASN 100 N 0.39 0.00 -5.31 7.28 -1.24 -1.89 -3.46 115.58 111.35 1kbk h ASN 100 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.86 1kbk h ASN 100 Cb 0.12 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.11 1kbk h ASN 100 CO 0.00 0.87 -0.04 -1.38 -1.29 0.00 0.00 177.43 175.59 1kbk s HIS 101 N -2.95 0.61 0.00 0.67 -3.43 -1.26 -2.34 115.29 106.59 1kbk s HIS 101 Ca 0.01 -1.00 0.00 0.00 -0.80 0.00 0.00 55.06 53.27 1kbk s HIS 101 Cb 0.11 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.50 1kbk s HIS 101 CO 0.80 -1.22 0.00 -1.33 -2.00 0.00 0.00 174.74 170.99 1kbk n MET 102 N -0.51 3.20 -2.47 -0.38 2.81 -0.67 -4.55 117.12 114.55 1kbk n MET 102 Ca -0.02 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.62 1kbk n MET 102 Cb 0.61 0.00 0.13 0.00 -0.71 0.00 0.00 33.22 33.25 1kbk n MET 102 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kbk s GLY 104 N -4.80 2.77 0.51 0.00 0.00 -1.26 -1.75 107.32 102.79 1kbk s GLY 104 Ca 0.69 1.56 0.34 0.00 0.00 0.00 0.00 44.72 47.30 1kbk s GLY 104 CO 0.46 2.30 2.01 3.45 0.00 0.00 0.00 173.10 181.33 1kbk h ASN 105 N 3.42 0.00 -0.22 1.64 -1.07 -1.51 -2.36 115.58 115.48 1kbk h ASN 105 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.87 1kbk h ASN 105 Cb 1.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 1kbk h ASN 105 CO 0.67 0.00 0.00 0.00 0.07 0.00 0.00 177.43 178.17 1kbk n ALA 106 N -2.01 2.47 -1.76 4.14 0.00 -1.26 -4.23 120.51 117.85 1kbk n ALA 106 Ca -0.00 -0.74 -0.40 0.00 0.00 0.00 0.00 53.44 52.30 1kbk n ALA 106 Cb 0.21 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1kbk n ALA 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1kbk s VAL 107 N -1.72 3.23 0.22 0.00 1.01 -0.89 -4.98 120.40 117.27 1kbk s VAL 107 Ca 0.35 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1kbk s VAL 107 Cb 0.20 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 1kbk s VAL 107 CO 0.30 0.24 1.25 -0.44 0.00 0.00 0.00 175.10 176.45 1kbk s SER 108 N -0.85 6.99 0.72 3.32 0.01 -1.26 -4.47 113.70 118.15 1kbk s SER 108 Ca 0.49 2.37 -0.14 0.00 1.31 0.00 0.00 55.95 59.98 1kbk s SER 108 Cb -0.33 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.31 1kbk s SER 108 CO 0.43 -0.43 1.13 0.00 0.41 0.00 0.00 173.24 174.78 1kbk s ALA 109 N -0.28 2.25 0.00 1.44 0.00 -1.26 -4.87 121.76 119.04 1kbk s ALA 109 Ca 0.53 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1kbk s ALA 109 Cb -0.35 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1kbk s ALA 109 CO 0.40 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.92 1kbk n GLY 110 N -0.37 0.49 1.23 0.00 0.00 -0.69 -4.91 105.19 100.94 1kbk n GLY 110 Ca 0.11 -1.45 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 1kbk n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kbk n THR 111 N 9.00 2.09 -1.70 2.61 -2.24 -1.26 -1.90 114.28 120.88 1kbk n THR 111 Ca 0.00 -3.36 -0.41 0.00 -2.27 0.00 0.00 64.05 58.01 1kbk n THR 111 Cb 0.00 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.87 1kbk n THR 111 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1kbk n SER 112 N -0.84 5.32 -4.27 3.42 2.88 -1.26 -4.45 113.62 114.42 1kbk n SER 112 Ca 0.25 -2.82 -0.15 0.00 -1.33 0.00 0.00 58.87 54.83 1kbk n SER 112 Cb 0.82 -1.61 -0.10 0.00 -0.75 0.00 0.00 64.21 62.57 1kbk n SER 112 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1kbk s SER 113 N 2.61 1.94 0.00 -3.46 1.04 -1.26 -0.56 113.70 114.00 1kbk s SER 113 Ca 0.52 -1.02 0.11 0.00 0.48 0.00 0.00 55.95 56.03 1kbk s SER 113 Cb 0.15 -0.03 0.52 0.00 0.10 0.00 0.00 66.02 66.75 1kbk s SER 113 CO -0.07 -0.31 1.28 0.35 0.98 0.00 0.00 173.24 175.46 1kbk n THR 114 N -0.24 0.91 -0.61 2.02 -2.24 -0.58 -2.59 114.28 110.95 1kbk n THR 114 Ca -0.10 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1kbk n THR 114 Cb 0.61 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1kbk n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kbk n GLY 116 N -0.15 0.86 3.77 0.00 0.00 -1.07 -5.02 105.19 103.59 1kbk n GLY 116 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1kbk n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kbk s SER 117 N -2.79 6.20 0.25 1.61 0.01 -1.26 -4.81 113.70 112.90 1kbk s SER 117 Ca 0.00 2.83 -0.19 0.00 1.31 0.00 0.00 55.95 59.89 1kbk s SER 117 Cb 0.00 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.49 1kbk s SER 117 CO 0.00 -0.95 0.74 -0.47 0.41 0.00 0.00 173.24 172.98 1kbk s TYR 118 N -1.20 3.59 -0.04 2.43 5.04 -1.26 -4.48 117.35 121.43 1kbk s TYR 118 Ca 0.57 1.38 -0.25 0.00 -2.44 0.00 0.00 57.07 56.33 1kbk s TYR 118 Cb -0.42 -2.63 0.05 0.00 0.35 0.00 0.00 41.96 39.32 1kbk s TYR 118 CO 0.55 0.27 0.55 -0.59 -1.34 0.00 0.00 175.55 174.99 1kbk s PHE 119 N -1.63 -0.50 -0.39 4.97 -0.71 -0.80 -4.36 117.98 114.57 1kbk s PHE 119 Ca 0.46 0.84 0.01 0.00 -1.04 0.00 0.00 56.93 57.20 1kbk s PHE 119 Cb -0.15 0.30 0.14 0.00 -1.21 0.00 0.00 43.02 42.10 1kbk s PHE 119 CO 0.20 -0.53 0.24 1.21 -1.34 0.00 0.00 175.22 175.00 1kbk s ASN 120 N -1.23 3.02 0.24 1.98 3.84 0.37 -1.70 114.94 121.47 1kbk s ASN 120 Ca -0.12 -2.42 -0.05 0.00 0.21 0.00 0.00 52.86 50.48 1kbk s ASN 120 Cb -0.02 -0.59 0.43 0.00 -0.55 0.00 0.00 41.25 40.52 1kbk s ASN 120 CO 0.08 -0.28 1.74 -0.65 -2.79 0.00 0.00 177.10 175.20 1kbk h PRO 121 N 6.77 0.46 -0.73 0.43 0.11 -1.79 -1.34 132.00 135.91 1kbk h PRO 121 Ca 0.06 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 66.29 1kbk h PRO 121 Cb 0.95 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.86 1kbk h PRO 121 CO 0.34 0.30 0.24 0.78 -0.21 0.00 0.00 178.00 179.45 1kbk h GLY 122 N 0.47 1.06 -3.02 -0.55 0.00 -1.81 -0.84 103.07 98.38 1kbk h GLY 122 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1kbk h GLY 122 CO -0.38 -0.14 0.00 -1.14 0.00 0.00 0.00 176.54 174.88 1kbk n SER 123 N -5.07 4.96 -3.38 0.19 3.41 -0.99 -4.95 113.62 107.78 1kbk n SER 123 Ca 0.14 -2.65 -0.25 0.00 -0.26 0.00 0.00 58.87 55.85 1kbk n SER 123 Cb 0.42 -0.60 0.02 0.00 -0.26 0.00 0.00 64.21 63.80 1kbk n SER 123 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kbk n ARG 124 N 0.78 -4.78 -3.80 4.33 5.12 -0.32 -4.30 116.66 113.70 1kbk n ARG 124 Ca 0.26 0.69 -0.36 0.00 -1.93 0.00 0.00 57.85 56.50 1kbk n ARG 124 Cb 0.98 -5.52 -0.13 0.00 -1.16 0.00 0.00 32.46 26.63 1kbk n ARG 124 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1kbk s ASP 125 N -2.89 4.99 -0.51 0.55 1.01 -0.57 -2.81 116.67 116.44 1kbk s ASP 125 Ca 0.44 -0.23 0.06 0.00 0.71 0.00 0.00 52.55 53.53 1kbk s ASP 125 Cb -0.21 -1.89 0.22 0.00 1.01 0.00 0.00 42.92 42.04 1kbk s ASP 125 CO 0.54 -0.02 0.54 0.49 0.21 0.00 0.00 175.17 176.93 1kbk n PHE 126 N 4.85 1.15 0.15 4.23 3.01 -0.53 -0.48 117.46 129.85 1kbk n PHE 126 Ca -0.17 -3.78 0.19 0.00 1.01 0.00 0.00 57.45 54.70 1kbk n PHE 126 Cb 0.51 -0.32 0.78 0.00 -0.01 0.00 0.00 39.48 40.45 1kbk n PHE 126 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1kbk h PRO 127 N 4.62 0.00 0.00 -1.08 0.13 -1.76 -0.69 132.00 133.21 1kbk h PRO 127 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1kbk h PRO 127 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1kbk h PRO 127 CO 0.58 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1kbk n ALA 128 N -2.30 1.74 -0.05 -0.56 0.00 -1.26 -3.95 120.51 114.13 1kbk n ALA 128 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1kbk n ALA 128 Cb 0.51 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 1kbk n ALA 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1kbk h VAL 129 N 0.00 0.00 -2.73 0.00 2.07 -1.72 -3.44 116.25 110.43 1kbk h VAL 129 Ca 0.00 -0.78 -0.58 0.00 0.82 0.00 0.00 66.70 66.16 1kbk h VAL 129 Cb 0.34 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1kbk h VAL 129 CO 0.00 0.00 -0.58 -2.16 0.02 0.00 0.00 177.57 174.85 1kbk s PRO 130 N -1.90 2.84 0.08 1.57 0.04 -1.25 -5.04 135.00 131.34 1kbk s PRO 130 Ca -0.10 -0.89 0.06 0.00 0.04 0.00 0.00 61.00 60.10 1kbk s PRO 130 Cb 0.01 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1kbk s PRO 130 CO 0.15 0.48 -0.16 0.71 0.04 0.00 0.00 177.00 178.23 1kbk s TYR 131 N -1.74 1.34 0.18 0.56 2.02 -0.32 -4.97 117.35 114.41 1kbk s TYR 131 Ca 0.31 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1kbk s TYR 131 Cb -0.10 -0.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 1kbk s TYR 131 CO 0.23 0.09 0.08 -1.13 -1.57 0.00 0.00 175.55 173.25 1kbk n SER 132 N 1.25 0.71 0.24 2.29 3.41 -1.24 -1.45 113.62 118.82 1kbk n SER 132 Ca -0.21 -2.00 0.15 0.00 -0.26 0.00 0.00 58.87 56.55 1kbk n SER 132 Cb 0.54 0.55 0.83 0.00 -0.26 0.00 0.00 64.21 65.87 1kbk n SER 132 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1kbk h GLY 133 N 0.80 0.00 2.00 5.00 0.00 -1.71 -1.44 103.07 107.72 1kbk h GLY 133 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1kbk h GLY 133 CO 0.21 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.54 1kbk n TRP 134 N -3.97 0.45 0.12 5.60 7.02 -1.26 -3.16 117.44 122.24 1kbk n TRP 134 Ca -0.01 0.17 0.12 0.00 -1.02 0.00 0.00 57.50 56.76 1kbk n TRP 134 Cb 0.20 -0.77 0.26 0.00 -2.42 0.00 0.00 31.31 28.58 1kbk n TRP 134 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1kbk n ASP 135 N -1.90 3.51 -4.63 -0.99 8.00 -0.54 -4.95 116.55 115.05 1kbk n ASP 135 Ca 0.03 -1.98 -0.25 0.00 0.71 0.00 0.00 54.79 53.30 1kbk n ASP 135 Cb 0.23 -0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 40.91 1kbk n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1kbk s PHE 136 N -1.33 2.55 -1.10 1.24 0.08 -1.19 -0.59 117.98 117.64 1kbk s PHE 136 Ca 0.42 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 57.10 1kbk s PHE 136 Cb 0.23 -1.48 0.31 0.00 -0.57 0.00 0.00 43.02 41.51 1kbk s PHE 136 CO 0.32 0.48 1.07 0.09 -0.10 0.00 0.00 175.22 177.08 1kbk n ASN 137 N -0.95 2.50 -0.32 1.36 3.02 0.67 -4.53 115.26 117.01 1kbk n ASN 137 Ca -0.04 -2.26 0.12 0.00 -0.03 0.00 0.00 54.58 52.37 1kbk n ASN 137 Cb 0.62 -0.46 0.30 0.00 -0.61 0.00 0.00 39.78 39.63 1kbk n ASN 137 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1kbk h ASP 138 N 1.65 0.56 0.49 6.41 5.19 -1.87 0.77 116.42 129.62 1kbk h ASP 138 Ca 0.00 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1kbk h ASP 138 Cb 0.88 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1kbk h ASP 138 CO 0.14 0.15 -0.20 0.61 -3.12 0.00 0.00 179.24 176.82 1kbk n GLY 139 N -1.33 -1.07 0.10 2.75 0.00 -1.26 -3.89 105.19 100.50 1kbk n GLY 139 Ca 0.22 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1kbk n GLY 139 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kbk n LYS 140 N -1.13 0.68 -2.22 1.61 4.81 0.15 -4.92 118.16 117.13 1kbk n LYS 140 Ca 0.11 0.18 -0.41 0.00 -0.87 0.00 0.00 58.31 57.31 1kbk n LYS 140 Cb 0.31 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.67 1kbk n LYS 140 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1kbk n LYS 142 N 2.34 1.77 -1.95 0.00 4.76 -1.26 -4.99 118.16 118.82 1kbk n LYS 142 Ca 0.05 -1.74 -0.32 0.00 -2.87 0.00 0.00 58.31 53.42 1kbk n LYS 142 Cb 0.43 -1.34 0.02 0.00 -1.84 0.00 0.00 35.03 32.30 1kbk n LYS 142 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1kbk s THR 143 N -1.24 3.93 0.31 -0.18 -4.23 -1.26 -4.96 115.64 108.01 1kbk s THR 143 Ca 0.24 0.84 0.18 0.00 -1.18 0.00 0.00 61.69 61.76 1kbk s THR 143 Cb 0.15 -3.42 0.14 0.00 1.34 0.00 0.00 72.50 70.71 1kbk s THR 143 CO 0.21 -0.61 1.84 1.23 -0.54 0.00 0.00 174.62 176.75 1kbk h GLY 144 N 0.18 0.00 0.45 3.99 0.00 -1.95 -3.10 103.07 102.64 1kbk h GLY 144 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1kbk h GLY 144 CO 0.58 0.00 -1.39 -1.14 0.00 0.00 0.00 176.54 174.59 1kbk n SER 145 N -3.81 0.47 0.00 0.19 3.41 -1.26 -4.96 113.62 107.66 1kbk n SER 145 Ca -0.01 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1kbk n SER 145 Cb 0.41 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1kbk n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kbk n GLY 146 N 1.28 1.50 3.93 5.00 0.00 -1.17 -5.03 105.19 110.69 1kbk n GLY 146 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1kbk n GLY 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kbk s ASP 147 N -3.03 5.34 -0.10 1.61 1.01 -1.26 -2.17 116.67 118.07 1kbk s ASP 147 Ca 0.00 -0.57 -0.30 0.00 0.71 0.00 0.00 52.55 52.39 1kbk s ASP 147 Cb 0.00 -0.68 -0.03 0.00 1.01 0.00 0.00 42.92 43.22 1kbk s ASP 147 CO 0.00 -0.64 1.33 -0.63 0.21 0.00 0.00 175.17 175.43 1kbk s ILE 148 N -2.40 4.09 -0.08 0.77 1.01 -0.49 -4.66 121.20 119.44 1kbk s ILE 148 Ca 0.50 1.36 0.11 0.00 0.00 0.00 0.00 60.65 62.61 1kbk s ILE 148 Cb -0.06 -3.88 -0.15 0.00 0.01 0.00 0.00 42.46 38.38 1kbk s ILE 148 CO 0.30 -0.08 0.11 -0.62 0.00 0.00 0.00 174.94 174.65 1kbk n GLU 149 N 6.20 1.57 -3.66 2.79 1.02 -1.26 -4.83 120.64 122.46 1kbk n GLU 149 Ca 0.14 -0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1kbk n GLU 149 Cb 0.45 -1.29 -0.12 0.00 -0.02 0.00 0.00 31.44 30.46 1kbk n GLU 149 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1kbk s ASN 150 N -4.04 0.22 0.00 1.62 2.47 -1.26 -5.02 114.94 108.92 1kbk s ASN 150 Ca -0.05 0.68 0.23 0.00 0.42 0.00 0.00 52.86 54.13 1kbk s ASN 150 Cb 0.05 0.83 1.32 0.00 -1.45 0.00 0.00 41.25 42.00 1kbk s ASN 150 CO 0.47 -0.24 1.73 -1.22 -3.72 0.00 0.00 177.10 174.13 1kbk n TYR 151 N 5.34 0.00 1.19 0.43 4.02 -1.26 -2.71 117.16 124.17 1kbk n TYR 151 Ca -0.07 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.96 1kbk n TYR 151 Cb 0.50 -0.05 0.56 0.00 -0.02 0.00 0.00 39.34 40.33 1kbk n TYR 151 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1kbk n ASN 152 N -1.05 0.26 -4.16 7.72 3.02 -1.26 -4.48 115.26 115.31 1kbk n ASN 152 Ca 0.16 -0.10 -0.38 0.00 -0.03 0.00 0.00 54.58 54.23 1kbk n ASN 152 Cb 0.09 -0.18 -0.10 0.00 -0.61 0.00 0.00 39.78 38.99 1kbk n ASN 152 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1kbk s ASP 153 N -2.77 5.48 0.65 6.41 2.15 -1.10 -4.81 116.67 122.69 1kbk s ASP 153 Ca 0.20 -2.04 0.39 0.00 0.43 0.00 0.00 52.55 51.54 1kbk s ASP 153 Cb 0.19 -1.92 2.18 0.00 -0.30 0.00 0.00 42.92 43.07 1kbk s ASP 153 CO 0.54 -0.60 2.28 0.00 -0.17 0.00 0.00 175.17 177.22 1kbk h ALA 154 N 8.17 1.20 -0.00 3.66 0.00 -1.86 -2.94 119.26 127.48 1kbk h ALA 154 Ca -0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1kbk h ALA 154 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1kbk h ALA 154 CO 0.77 -0.06 -0.01 1.15 0.00 0.00 0.00 179.25 181.10 1kbk h THR 155 N 0.00 1.56 0.00 0.00 2.02 -1.95 -3.21 112.91 111.33 1kbk h THR 155 Ca 0.01 -1.65 -0.06 0.00 0.77 0.00 0.00 66.41 65.48 1kbk h THR 155 Cb 0.11 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1kbk h THR 155 CO -0.00 0.43 -0.26 0.06 0.37 0.00 0.00 175.52 176.12 1kbk h GLN 156 N -0.69 0.00 -0.05 6.66 3.07 -1.87 -0.44 115.11 121.80 1kbk h GLN 156 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1kbk h GLN 156 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.27 1kbk h GLN 156 CO 0.00 0.26 -0.07 0.28 0.09 0.00 0.00 178.83 179.40 1kbk h VAL 157 N 0.00 1.08 0.05 1.86 2.07 -1.58 -1.18 116.25 118.55 1kbk h VAL 157 Ca -0.00 -0.35 -0.36 0.00 0.82 0.00 0.00 66.70 66.80 1kbk h VAL 157 Cb 0.63 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1kbk h VAL 157 CO 0.03 0.11 -2.16 0.54 0.02 0.00 0.00 177.57 176.11 1kbk n ARG 158 N -4.42 0.70 0.01 1.57 3.00 -0.75 -4.45 116.66 112.31 1kbk n ARG 158 Ca -0.02 0.20 0.11 0.00 -0.01 0.00 0.00 57.85 58.12 1kbk n ARG 158 Cb 0.17 -1.64 -0.01 0.00 0.00 0.00 0.00 32.46 30.98 1kbk n ARG 158 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1kbk n ASP 159 N -3.25 0.73 -4.96 0.55 8.00 -0.25 -4.69 116.55 112.68 1kbk n ASP 159 Ca -0.34 -0.58 -0.20 0.00 0.71 0.00 0.00 54.79 54.38 1kbk n ASP 159 Cb 1.04 0.86 0.00 0.00 -0.02 0.00 0.00 41.12 43.01 1kbk n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kbk s ARG 161 N -4.33 4.47 -0.43 0.00 0.52 -0.92 -4.70 118.95 113.56 1kbk s ARG 161 Ca 0.52 1.39 -0.28 0.00 -0.52 0.00 0.00 55.73 56.83 1kbk s ARG 161 Cb -0.06 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.90 1kbk s ARG 161 CO 0.31 -0.21 1.55 -1.17 0.02 0.00 0.00 175.30 175.80 1kbk s LEU 162 N 1.63 3.51 -1.50 2.53 2.96 -1.25 -1.39 118.68 125.17 1kbk s LEU 162 Ca 0.49 0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1kbk s LEU 162 Cb -0.19 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1kbk s LEU 162 CO 0.21 -1.63 0.13 0.35 -1.32 0.00 0.00 176.35 174.10 1kbk n THR 163 N 7.15 -1.62 -0.50 3.68 -2.24 -1.26 -1.29 114.28 118.20 1kbk n THR 163 Ca 0.18 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1kbk n THR 163 Cb 0.48 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1kbk n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kbk n GLY 164 N -2.41 1.68 3.66 3.38 0.00 -1.23 -4.96 105.19 105.30 1kbk n GLY 164 Ca -0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1kbk n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kbk s LEU 165 N 0.00 4.26 -0.13 0.99 1.02 -0.41 -1.20 118.68 123.21 1kbk s LEU 165 Ca 0.00 1.98 -0.37 0.00 0.02 0.00 0.00 54.13 55.76 1kbk s LEU 165 Cb 0.00 -3.54 -0.14 0.00 0.02 0.00 0.00 46.19 42.53 1kbk s LEU 165 CO 0.00 -0.83 1.73 0.18 0.02 0.00 0.00 176.35 177.46 1kbk n LEU 166 N 6.67 2.75 -4.56 1.79 4.77 -0.72 -3.89 117.00 123.81 1kbk n LEU 166 Ca 0.15 1.04 -0.41 0.00 -0.03 0.00 0.00 56.01 56.76 1kbk n LEU 166 Cb 0.44 -1.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.20 1kbk n LEU 166 CO 0.59 -0.35 0.27 -0.62 -1.33 0.00 0.00 177.39 175.95 1kbk s ASP 167 N 3.15 6.35 0.34 -1.43 2.15 -1.26 -1.67 116.67 124.30 1kbk s ASP 167 Ca 0.93 0.02 -0.28 0.00 0.43 0.00 0.00 52.55 53.65 1kbk s ASP 167 Cb -0.88 -2.28 -0.10 0.00 -0.30 0.00 0.00 42.92 39.35 1kbk s ASP 167 CO 0.56 -0.51 1.25 -0.76 -0.17 0.00 0.00 175.17 175.54 1kbk s LEU 168 N 2.48 4.39 -1.29 -1.34 1.43 -0.99 -0.24 118.68 123.12 1kbk s LEU 168 Ca 0.20 2.56 -0.17 0.00 -1.03 0.00 0.00 54.13 55.69 1kbk s LEU 168 Cb -0.15 -3.73 0.09 0.00 0.03 0.00 0.00 46.19 42.43 1kbk s LEU 168 CO 0.14 -0.53 1.69 0.00 0.23 0.00 0.00 176.35 177.88 1kbk n ALA 169 N 0.67 3.70 0.24 4.21 0.00 0.25 -4.64 120.51 124.94 1kbk n ALA 169 Ca 0.01 -3.94 0.02 0.00 0.00 0.00 0.00 53.44 49.53 1kbk n ALA 169 Cb 0.43 -3.48 0.12 0.00 0.00 0.00 0.00 19.45 16.53 1kbk n ALA 169 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kbk n LEU 170 N 7.68 0.00 0.14 0.00 4.32 -1.26 -2.14 117.00 125.74 1kbk n LEU 170 Ca 0.46 0.22 0.11 0.00 -0.02 0.00 0.00 56.01 56.79 1kbk n LEU 170 Cb 0.45 -0.22 0.05 0.00 -1.62 0.00 0.00 43.42 42.08 1kbk n LEU 170 CO 0.74 -0.19 0.27 1.05 -1.22 0.00 0.00 177.39 178.04 1kbk h GLU 171 N 0.00 0.00 -6.62 3.23 9.09 -1.95 -3.43 114.58 114.90 1kbk h GLU 171 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 1kbk h GLU 171 Cb 0.03 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.15 1kbk h GLU 171 CO 0.00 0.03 0.53 0.15 0.05 0.00 0.00 179.01 179.77 1kbk s LYS 172 N -3.29 4.51 0.33 1.06 1.02 -0.91 -4.94 119.74 117.51 1kbk s LYS 172 Ca 0.02 1.80 0.01 0.00 0.02 0.00 0.00 55.97 57.82 1kbk s LYS 172 Cb 0.08 -3.28 0.56 0.00 -0.52 0.00 0.00 37.83 34.67 1kbk s LYS 172 CO 0.75 -0.08 1.93 0.22 -0.92 0.00 0.00 175.35 177.25 1kbk h ASP 173 N 5.59 0.71 -0.06 2.83 3.58 -1.89 -2.04 116.42 125.14 1kbk h ASP 173 Ca -0.44 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 56.96 1kbk h ASP 173 Cb 1.21 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 1kbk h ASP 173 CO 0.76 0.61 -0.05 0.22 -2.88 0.00 0.00 179.24 177.90 1kbk h TYR 174 N 0.79 -0.11 -0.55 0.28 3.20 -1.95 0.06 116.97 118.69 1kbk h TYR 174 Ca 0.20 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1kbk h TYR 174 Cb 0.09 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1kbk h TYR 174 CO 0.01 -0.07 0.24 0.28 -1.64 0.00 0.00 178.16 176.97 1kbk h VAL 175 N -0.06 1.21 -0.51 1.81 2.07 -1.80 -1.34 116.25 117.64 1kbk h VAL 175 Ca 0.04 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1kbk h VAL 175 Cb 0.11 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1kbk h VAL 175 CO -0.09 0.25 0.21 0.03 0.02 0.00 0.00 177.57 177.99 1kbk h ARG 176 N 0.75 0.73 -0.20 1.57 3.08 -1.12 -1.85 114.38 117.33 1kbk h ARG 176 Ca 0.19 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 1kbk h ARG 176 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1kbk h ARG 176 CO -0.02 0.59 -0.52 0.77 -1.07 0.00 0.00 179.97 179.72 1kbk h SER 177 N 0.73 0.64 -0.05 7.04 0.02 -0.54 -1.48 113.55 119.90 1kbk h SER 177 Ca 0.18 -0.33 -0.11 0.00 -0.84 0.00 0.00 61.79 60.69 1kbk h SER 177 Cb 0.13 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1kbk h SER 177 CO -0.02 1.05 -0.31 0.11 -1.14 0.00 0.00 176.83 176.52 1kbk h LYS 178 N 0.45 0.52 -0.15 3.45 1.79 -0.79 0.04 116.57 121.89 1kbk h LYS 178 Ca 0.01 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.21 1kbk h LYS 178 Cb 1.06 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1kbk h LYS 178 CO 0.10 0.77 -0.13 0.82 -1.08 0.00 0.00 179.45 179.93 1kbk h ILE 179 N 0.45 1.34 -0.46 1.86 1.08 -1.21 -2.65 117.51 117.91 1kbk h ILE 179 Ca 0.06 -1.26 -0.06 0.00 -0.39 0.00 0.00 64.86 63.21 1kbk h ILE 179 Cb 0.76 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 36.31 1kbk h ILE 179 CO 0.06 0.37 0.04 0.00 -0.69 0.00 0.00 178.15 177.93 1kbk h ALA 180 N 0.63 1.21 -0.71 1.87 0.00 -1.17 -0.35 119.26 120.74 1kbk h ALA 180 Ca 0.03 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1kbk h ALA 180 Cb 0.64 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1kbk h ALA 180 CO 0.03 0.53 0.42 1.49 0.00 0.00 0.00 179.25 181.72 1kbk h GLU 181 N 0.70 0.77 -0.02 0.00 4.81 -0.91 0.57 114.58 120.49 1kbk h GLU 181 Ca 0.15 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1kbk h GLU 181 Cb 0.37 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1kbk h GLU 181 CO 0.01 0.51 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.88 1kbk h TYR 182 N 0.79 0.04 -0.31 0.92 3.20 -1.02 -2.48 116.97 118.11 1kbk h TYR 182 Ca 0.31 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.07 1kbk h TYR 182 Cb 0.13 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1kbk h TYR 182 CO -0.06 0.34 -0.21 0.52 -1.64 0.00 0.00 178.16 177.11 1kbk h MET 183 N -0.27 0.59 -0.00 1.82 2.86 -0.68 -2.75 114.93 116.49 1kbk h MET 183 Ca 0.01 -0.21 -0.10 0.00 -2.06 0.00 0.00 59.70 57.34 1kbk h MET 183 Cb 0.32 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1kbk h MET 183 CO 0.00 0.76 -0.46 -0.91 1.06 0.00 0.00 176.91 177.36 1kbk h ASN 184 N 0.52 0.01 -0.33 1.22 2.35 0.12 -0.62 115.58 118.85 1kbk h ASN 184 Ca 0.08 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1kbk h ASN 184 Cb 0.65 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1kbk h ASN 184 CO 0.05 0.47 0.12 -0.74 -1.65 0.00 0.00 177.43 175.67 1kbk h HIS 185 N 0.01 0.51 -0.48 1.19 2.76 -1.16 -0.73 115.15 117.25 1kbk h HIS 185 Ca -0.00 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 1kbk h HIS 185 Cb 0.81 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 1kbk h HIS 185 CO 0.00 0.50 0.14 -0.07 -1.30 0.00 0.00 177.93 177.20 1kbk h LEU 186 N 0.38 0.70 -0.27 0.26 3.38 -1.22 -2.12 115.31 116.42 1kbk h LEU 186 Ca 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1kbk h LEU 186 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1kbk h LEU 186 CO -0.01 0.73 0.17 0.40 0.09 0.00 0.00 178.44 179.83 1kbk h ILE 187 N 0.64 1.09 0.00 1.22 2.04 -0.95 -2.20 117.51 119.34 1kbk h ILE 187 Ca 0.15 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1kbk h ILE 187 Cb 0.29 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1kbk h ILE 187 CO -0.00 0.08 -0.11 0.44 0.00 0.00 0.00 178.15 178.56 1kbk h ASP 188 N 0.35 0.00 0.53 1.72 3.32 -1.03 -0.20 116.42 121.11 1kbk h ASP 188 Ca 0.10 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1kbk h ASP 188 Cb -0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1kbk h ASP 188 CO -0.02 0.11 -0.60 0.40 -1.72 0.00 0.00 179.24 177.41 1kbk h ILE 189 N 0.00 1.42 0.00 0.35 2.04 -0.80 -3.47 117.51 117.05 1kbk h ILE 189 Ca -0.00 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.81 1kbk h ILE 189 Cb 0.31 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1kbk h ILE 189 CO 0.01 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.36 1kbk n GLY 190 N 0.23 0.01 3.76 5.37 0.00 -0.09 -4.77 105.19 109.70 1kbk n GLY 190 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1kbk n GLY 190 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kbk s VAL 191 N -0.92 2.74 -1.02 1.61 -7.23 -1.00 -4.79 120.40 109.79 1kbk s VAL 191 Ca 0.00 0.44 0.22 0.00 -1.81 0.00 0.00 61.98 60.83 1kbk s VAL 191 Cb 0.00 -3.15 -0.19 0.00 0.56 0.00 0.00 36.38 33.61 1kbk s VAL 191 CO 0.00 -0.11 0.99 0.00 -0.31 0.00 0.00 175.10 175.67 1kbk n ALA 192 N -1.66 4.54 0.00 1.32 0.00 0.05 -4.67 120.51 120.09 1kbk n ALA 192 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1kbk n ALA 192 Cb 0.50 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1kbk n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kbk n GLY 193 N 1.50 -1.37 3.09 0.00 0.00 -1.24 -1.14 105.19 106.02 1kbk n GLY 193 Ca 0.04 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1kbk n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kbk s PHE 194 N -2.43 0.23 -0.29 1.61 0.40 0.92 -2.08 117.98 116.33 1kbk s PHE 194 Ca 0.00 -0.53 -0.08 0.00 -0.60 0.00 0.00 56.93 55.73 1kbk s PHE 194 Cb 0.00 -0.17 -0.00 0.00 0.51 0.00 0.00 43.02 43.36 1kbk s PHE 194 CO 0.00 -0.32 0.10 0.50 0.70 0.00 0.00 175.22 176.20 1kbk s ARG 195 N -2.38 3.30 -0.56 0.44 3.52 -0.43 -1.69 118.95 121.15 1kbk s ARG 195 Ca -0.07 -0.72 -0.22 0.00 -0.13 0.00 0.00 55.73 54.59 1kbk s ARG 195 Cb -0.03 -3.43 0.05 0.00 -1.56 0.00 0.00 34.95 29.99 1kbk s ARG 195 CO -0.04 -0.38 0.84 -0.51 -0.81 0.00 0.00 175.30 174.41 1kbk s LEU 196 N 1.57 4.47 0.47 -0.88 1.02 -0.45 -0.79 118.68 124.09 1kbk s LEU 196 Ca 0.04 -0.69 -0.23 0.00 0.02 0.00 0.00 54.13 53.28 1kbk s LEU 196 Cb -0.17 -2.61 -0.07 0.00 0.02 0.00 0.00 46.19 43.36 1kbk s LEU 196 CO 0.04 -1.17 1.20 0.00 0.02 0.00 0.00 176.35 176.45 1kbk s ALA 197 N 3.53 2.95 -1.53 4.21 0.00 -0.74 -1.02 121.76 129.16 1kbk s ALA 197 Ca 0.23 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 53.08 1kbk s ALA 197 Cb -0.16 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.63 1kbk s ALA 197 CO 0.15 -0.79 0.93 0.00 0.00 0.00 0.00 175.76 176.04 1kbk n ALA 198 N -0.58 -1.37 0.24 0.00 0.00 -1.26 -4.64 120.51 112.91 1kbk n ALA 198 Ca 0.08 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1kbk n ALA 198 Cb 0.47 -4.08 0.61 0.00 0.00 0.00 0.00 19.45 16.45 1kbk n ALA 198 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1kbk h SER 199 N -2.01 0.00 0.04 0.00 0.02 -1.35 -1.95 113.55 108.30 1kbk h SER 199 Ca -0.59 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.36 1kbk h SER 199 Cb 1.38 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 1kbk h SER 199 CO 0.67 0.14 -0.03 0.50 -1.14 0.00 0.00 176.83 176.97 1kbk h LYS 200 N 0.00 0.00 -0.46 3.45 3.64 -1.90 -1.72 116.57 119.58 1kbk h LYS 200 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1kbk h LYS 200 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1kbk h LYS 200 CO 0.02 0.03 0.00 0.72 -2.27 0.00 0.00 179.45 177.95 1kbk n HIS 201 N -4.29 0.45 -4.34 1.91 8.25 -0.73 -4.66 115.22 111.82 1kbk n HIS 201 Ca -0.03 -0.19 -0.19 0.00 -0.26 0.00 0.00 57.72 57.05 1kbk n HIS 201 Cb 0.12 -0.08 -0.13 0.00 1.12 0.00 0.00 29.99 31.01 1kbk n HIS 201 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1kbk s MET 202 N -1.64 0.89 0.18 -0.41 -1.94 -0.65 -4.43 119.30 111.30 1kbk s MET 202 Ca 0.17 -0.73 -0.30 0.00 -1.71 0.00 0.00 55.69 53.12 1kbk s MET 202 Cb 0.10 -0.88 -0.08 0.00 2.01 0.00 0.00 34.83 35.98 1kbk s MET 202 CO 0.09 0.22 1.22 -1.58 -0.01 0.00 0.00 175.02 174.95 1kbk s TRP 203 N -0.84 3.40 0.35 -0.03 0.52 -1.26 -4.91 118.94 116.18 1kbk s TRP 203 Ca 0.01 1.38 0.12 0.00 0.02 0.00 0.00 56.10 57.63 1kbk s TRP 203 Cb -0.08 -3.46 0.92 0.00 -1.15 0.00 0.00 33.47 29.71 1kbk s TRP 203 CO 0.01 -1.32 1.78 -1.35 0.02 0.00 0.00 176.95 176.10 1kbk h PRO 204 N 5.36 0.56 -0.18 4.98 0.11 -1.90 -0.78 132.00 140.16 1kbk h PRO 204 Ca -0.44 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1kbk h PRO 204 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1kbk h PRO 204 CO 0.75 0.37 -0.28 0.78 -0.21 0.00 0.00 178.00 179.41 1kbk h GLY 205 N 0.57 0.37 1.24 -0.55 0.00 -1.94 -1.74 103.07 101.03 1kbk h GLY 205 Ca 0.57 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 47.40 1kbk h GLY 205 CO -0.34 0.27 -0.71 -0.55 0.00 0.00 0.00 176.54 175.21 1kbk h ASP 206 N 0.30 0.88 -0.09 0.19 3.32 -1.49 -2.33 116.42 117.20 1kbk h ASP 206 Ca 0.04 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1kbk h ASP 206 Cb 0.66 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1kbk h ASP 206 CO 0.05 1.34 0.06 0.40 -1.72 0.00 0.00 179.24 179.36 1kbk h ILE 207 N 0.53 1.03 -0.62 0.35 2.04 -1.22 -2.29 117.51 117.33 1kbk h ILE 207 Ca -0.03 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1kbk h ILE 207 Cb 1.33 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 1kbk h ILE 207 CO 0.15 0.03 0.30 0.50 0.00 0.00 0.00 178.15 179.12 1kbk h LYS 208 N 0.11 0.53 -0.90 2.37 1.63 -1.30 -0.53 116.57 118.48 1kbk h LYS 208 Ca 0.03 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1kbk h LYS 208 Cb -0.00 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.45 1kbk h LYS 208 CO -0.01 0.35 0.59 0.00 -3.45 0.00 0.00 179.45 176.93 1kbk h ALA 209 N 1.37 1.49 -0.12 5.00 0.00 -1.08 -0.72 119.26 125.19 1kbk h ALA 209 Ca 0.29 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1kbk h ALA 209 Cb 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1kbk h ALA 209 CO -0.23 0.39 -0.11 0.82 0.00 0.00 0.00 179.25 180.12 1kbk h ILE 210 N 1.06 1.35 -0.05 0.00 2.04 -0.71 -3.10 117.51 118.10 1kbk h ILE 210 Ca 0.38 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1kbk h ILE 210 Cb 0.14 1.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1kbk h ILE 210 CO -0.13 0.36 0.04 -0.07 0.00 0.00 0.00 178.15 178.35 1kbk h LEU 211 N -0.09 0.00 -0.61 1.44 3.38 -0.58 0.03 115.31 118.88 1kbk h LEU 211 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1kbk h LEU 211 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1kbk h LEU 211 CO 0.03 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.03 1kbk n ASP 212 N -4.50 0.55 -0.80 -0.43 10.43 -0.33 -2.05 116.55 119.42 1kbk n ASP 212 Ca -0.02 0.64 0.13 0.00 2.57 0.00 0.00 54.79 58.11 1kbk n ASP 212 Cb 0.14 -0.76 0.21 0.00 1.84 0.00 0.00 41.12 42.56 1kbk n ASP 212 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1kbk n LYS 213 N -2.12 2.09 -3.08 -1.24 5.02 -0.00 -4.97 118.16 113.86 1kbk n LYS 213 Ca 0.02 -1.62 -0.35 0.00 -2.02 0.00 0.00 58.31 54.35 1kbk n LYS 213 Cb 0.21 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 1kbk n LYS 213 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kbk s LEU 214 N -2.03 4.22 0.90 -0.35 1.43 -0.87 -4.98 118.68 117.01 1kbk s LEU 214 Ca 0.30 1.41 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 1kbk s LEU 214 Cb 0.20 -3.84 0.14 0.00 0.03 0.00 0.00 46.19 42.71 1kbk s LEU 214 CO 0.32 -0.08 1.16 -1.00 0.23 0.00 0.00 176.35 176.98 1kbk s HIS 215 N -1.73 2.45 0.67 0.29 3.76 -1.26 -5.06 115.29 114.41 1kbk s HIS 215 Ca 0.48 0.77 -0.09 0.00 -0.15 0.00 0.00 55.06 56.07 1kbk s HIS 215 Cb -0.14 -3.48 0.02 0.00 1.11 0.00 0.00 32.58 30.09 1kbk s HIS 215 CO 0.19 -2.32 1.03 -0.80 -0.85 0.00 0.00 174.74 171.99 1kbk s ASN 216 N -4.22 5.40 0.69 1.40 0.02 -1.26 -4.62 114.94 112.34 1kbk s ASN 216 Ca 0.65 0.91 -0.16 0.00 -1.02 0.00 0.00 52.86 53.24 1kbk s ASN 216 Cb -0.13 -1.75 0.02 0.00 0.02 0.00 0.00 41.25 39.41 1kbk s ASN 216 CO 0.52 -1.29 1.18 -0.76 0.02 0.00 0.00 177.10 176.77 1kbk s LEU 217 N -5.23 3.40 -0.23 0.60 1.43 0.44 -4.86 118.68 114.22 1kbk s LEU 217 Ca 0.57 2.28 -0.36 0.00 -1.03 0.00 0.00 54.13 55.59 1kbk s LEU 217 Cb -0.11 -4.58 -0.13 0.00 0.03 0.00 0.00 46.19 41.40 1kbk s LEU 217 CO 0.49 -2.00 1.95 -3.20 0.23 0.00 0.00 176.35 173.82 1kbk n ASN 218 N -2.44 2.71 0.00 2.29 2.85 -1.26 -4.80 115.26 114.61 1kbk n ASN 218 Ca 0.13 0.81 0.04 0.00 -0.11 0.00 0.00 54.58 55.45 1kbk n ASN 218 Cb 0.50 -1.27 0.21 0.00 1.24 0.00 0.00 39.78 40.47 1kbk n ASN 218 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1kbk n SER 219 N 7.40 0.00 0.20 1.20 3.41 -1.26 -1.40 113.62 123.17 1kbk n SER 219 Ca 0.30 0.07 0.12 0.00 -0.26 0.00 0.00 58.87 59.09 1kbk n SER 219 Cb 0.23 -0.22 0.14 0.00 -0.26 0.00 0.00 64.21 64.10 1kbk n SER 219 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1kbk h ASN 220 N 0.00 0.00 0.00 4.04 4.21 -1.99 -3.38 115.58 118.46 1kbk h ASN 220 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1kbk h ASN 220 Cb 0.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1kbk h ASN 220 CO 0.00 0.02 -0.87 0.79 -1.29 0.00 0.00 177.43 176.08 1kbk n TRP 221 N -3.05 0.00 -4.33 1.19 8.01 -0.83 -5.08 117.44 113.35 1kbk n TRP 221 Ca 0.03 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.93 1kbk n TRP 221 Cb 0.54 0.00 -0.11 0.00 -2.01 0.00 0.00 31.31 29.73 1kbk n TRP 221 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 1kbk s PHE 222 N -1.84 2.60 0.57 -5.99 0.08 -0.49 -5.09 117.98 107.82 1kbk s PHE 222 Ca 0.00 -0.23 -0.21 0.00 0.12 0.00 0.00 56.93 56.62 1kbk s PHE 222 Cb 0.00 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 1kbk s PHE 222 CO 0.00 0.38 1.30 -2.30 -0.10 0.00 0.00 175.22 174.50 1kbk n PRO 223 N 0.87 1.48 -1.70 0.24 -0.02 -1.26 -4.31 135.00 130.30 1kbk n PRO 223 Ca -0.15 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 1kbk n PRO 223 Cb 0.52 -2.52 0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1kbk n PRO 223 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kbk n ALA 224 N -1.29 1.28 -0.81 3.55 0.00 -1.26 -2.55 120.51 119.43 1kbk n ALA 224 Ca 0.12 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1kbk n ALA 224 Cb 0.45 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1kbk n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kbk n GLY 225 N 0.84 0.67 3.71 0.00 0.00 -1.26 -5.02 105.19 104.12 1kbk n GLY 225 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1kbk n GLY 225 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kbk s SER 226 N -2.23 7.22 0.03 1.61 0.01 -1.06 -4.96 113.70 114.32 1kbk s SER 226 Ca 0.00 1.86 -0.00 0.00 1.31 0.00 0.00 55.95 59.12 1kbk s SER 226 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1kbk s SER 226 CO 0.00 -0.36 0.14 -0.54 0.41 0.00 0.00 173.24 172.89 1kbk s LYS 227 N 0.96 3.21 0.38 12.44 1.02 -1.26 -0.42 119.74 136.06 1kbk s LYS 227 Ca 0.55 -0.48 -0.27 0.00 0.02 0.00 0.00 55.97 55.79 1kbk s LYS 227 Cb -0.26 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.02 1kbk s LYS 227 CO 0.29 0.63 1.37 -1.25 -0.92 0.00 0.00 175.35 175.47 1kbk s PRO 228 N -2.14 4.11 0.09 -1.68 0.04 -1.26 -4.86 135.00 129.30 1kbk s PRO 228 Ca 0.29 2.33 -0.31 0.00 0.04 0.00 0.00 61.00 63.35 1kbk s PRO 228 Cb -0.12 -2.91 -0.07 0.00 0.04 0.00 0.00 34.50 31.43 1kbk s PRO 228 CO 0.21 -0.44 1.30 0.12 0.04 0.00 0.00 177.00 178.22 1kbk s PHE 229 N -1.17 3.33 -0.13 0.56 5.36 -0.29 -4.88 117.98 120.76 1kbk s PHE 229 Ca 0.53 1.11 0.01 0.00 -0.96 0.00 0.00 56.93 57.63 1kbk s PHE 229 Cb -0.42 -3.56 0.02 0.00 -0.34 0.00 0.00 43.02 38.72 1kbk s PHE 229 CO 0.55 -1.87 -0.14 0.42 -1.46 0.00 0.00 175.22 172.72 1kbk s ILE 230 N 1.09 1.53 -0.12 3.12 1.01 -1.26 -0.06 121.20 126.51 1kbk s ILE 230 Ca 0.62 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.65 1kbk s ILE 230 Cb -0.33 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1kbk s ILE 230 CO 0.30 0.45 -0.12 -0.72 0.00 0.00 0.00 174.94 174.85 1kbk s TYR 231 N 1.29 1.79 -0.12 3.97 1.13 -0.68 -0.81 117.35 123.92 1kbk s TYR 231 Ca 0.00 -0.90 -0.16 0.00 -1.41 0.00 0.00 57.07 54.60 1kbk s TYR 231 Cb -0.14 -1.37 -0.04 0.00 -1.10 0.00 0.00 41.96 39.31 1kbk s TYR 231 CO -0.07 -0.53 0.41 -0.65 -2.51 0.00 0.00 175.55 172.20 1kbk s GLN 232 N 1.38 4.26 -0.70 -3.49 -0.21 -0.06 -1.34 119.66 119.51 1kbk s GLN 232 Ca 0.00 0.33 -0.27 0.00 0.02 0.00 0.00 55.36 55.44 1kbk s GLN 232 Cb -0.13 -3.41 0.03 0.00 1.00 0.00 0.00 33.01 30.50 1kbk s GLN 232 CO -0.06 0.24 1.26 -2.00 -2.12 0.00 0.00 175.29 172.61 1kbk s GLU 233 N 0.38 3.27 -0.15 2.91 2.12 -0.19 -1.59 118.70 125.46 1kbk s GLU 233 Ca 0.23 -0.12 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1kbk s GLU 233 Cb -0.15 -4.14 0.03 0.00 0.26 0.00 0.00 34.13 30.14 1kbk s GLU 233 CO 0.08 -2.03 -0.09 0.08 -0.54 0.00 0.00 175.26 172.76 1kbk s VAL 234 N 5.54 1.30 -0.61 3.70 1.01 -1.26 -1.59 120.40 128.49 1kbk s VAL 234 Ca 0.37 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1kbk s VAL 234 Cb -0.08 -1.34 0.08 0.00 0.00 0.00 0.00 36.38 35.04 1kbk s VAL 234 CO 0.18 0.30 0.84 -0.63 0.00 0.00 0.00 175.10 175.78 1kbk s ILE 235 N 1.58 4.55 -0.32 2.22 1.01 -1.26 -4.59 121.20 124.39 1kbk s ILE 235 Ca 0.03 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1kbk s ILE 235 Cb -0.14 -4.57 0.10 0.00 0.01 0.00 0.00 42.46 37.86 1kbk s ILE 235 CO -0.09 -1.25 0.08 -0.62 0.00 0.00 0.00 174.94 173.06 1kbk s ASP 236 N 3.50 4.29 -0.06 3.58 2.15 -1.26 -4.92 116.67 123.94 1kbk s ASP 236 Ca 0.18 -1.82 0.18 0.00 0.43 0.00 0.00 52.55 51.53 1kbk s ASP 236 Cb -0.19 -1.13 0.62 0.00 -0.30 0.00 0.00 42.92 41.91 1kbk s ASP 236 CO 0.10 -0.40 1.53 0.18 -0.17 0.00 0.00 175.17 176.40 1kbk n LEU 237 N 4.64 4.15 0.00 -1.34 4.32 -1.26 -4.59 117.00 122.91 1kbk n LEU 237 Ca 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 56.01 53.73 1kbk n LEU 237 Cb 0.42 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1kbk n LEU 237 CO 0.15 0.85 0.00 0.61 -1.22 0.00 0.00 177.39 177.78 1kbk n GLY 238 N 1.09 -0.90 1.97 -0.72 0.00 -1.26 -4.98 105.19 100.40 1kbk n GLY 238 Ca 0.23 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1kbk n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbk n GLY 239 N -0.68 0.97 3.57 -0.02 0.00 -1.26 -5.04 105.19 102.73 1kbk n GLY 239 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1kbk n GLY 239 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kbk s GLU 240 N -0.34 2.08 0.52 1.61 2.02 -1.26 -5.02 118.70 118.31 1kbk s GLU 240 Ca 0.00 -1.23 0.28 0.00 0.02 0.00 0.00 54.97 54.04 1kbk s GLU 240 Cb 0.00 -2.19 1.44 0.00 0.10 0.00 0.00 34.13 33.48 1kbk s GLU 240 CO 0.00 0.44 2.06 -1.00 0.02 0.00 0.00 175.26 176.79 1kbk h PRO 241 N 2.99 0.00 -5.80 0.39 0.13 -1.87 -3.41 132.00 124.43 1kbk h PRO 241 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 1kbk h PRO 241 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1kbk h PRO 241 CO 0.54 0.12 -0.12 0.42 -0.23 0.00 0.00 178.00 178.73 1kbk s ILE 242 N -4.15 5.15 0.15 -3.56 1.01 -1.26 -5.05 121.20 113.49 1kbk s ILE 242 Ca -0.03 1.00 0.11 0.00 0.00 0.00 0.00 60.65 61.73 1kbk s ILE 242 Cb 0.13 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1kbk s ILE 242 CO 0.58 0.34 -0.23 -0.54 0.00 0.00 0.00 174.94 175.09 1kbk s LYS 243 N 0.48 1.55 0.58 2.79 -0.14 -1.26 -4.96 119.74 118.78 1kbk s LYS 243 Ca 0.27 -1.36 0.36 0.00 -1.36 0.00 0.00 55.97 53.88 1kbk s LYS 243 Cb -0.16 -1.94 1.71 0.00 -1.68 0.00 0.00 37.83 35.77 1kbk s LYS 243 CO 0.11 0.44 2.12 0.66 -0.76 0.00 0.00 175.35 177.92 1kbk h SER 244 N 3.58 0.00 0.67 2.83 4.64 -1.93 -2.22 113.55 121.12 1kbk h SER 244 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1kbk h SER 244 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1kbk h SER 244 CO 0.44 0.02 -0.10 0.77 -0.87 0.00 0.00 176.83 177.09 1kbk h SER 245 N 0.00 0.00 0.46 4.97 4.64 -2.02 -2.31 113.55 119.30 1kbk h SER 245 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kbk h SER 245 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1kbk h SER 245 CO 0.00 0.10 0.00 0.44 -0.87 0.00 0.00 176.83 176.50 1kbk h ASP 246 N 0.00 0.00 -0.26 4.97 3.32 -1.82 -2.72 116.42 119.91 1kbk h ASP 246 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kbk h ASP 246 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1kbk h ASP 246 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 1kbk n TYR 247 N -2.76 0.32 0.26 4.55 4.02 -0.87 -4.55 117.16 118.13 1kbk n TYR 247 Ca -0.01 -0.18 0.13 0.00 -0.01 0.00 0.00 57.90 57.84 1kbk n TYR 247 Cb 0.17 -0.00 0.81 0.00 -0.02 0.00 0.00 39.34 40.30 1kbk n TYR 247 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1kbk h PHE 248 N 4.21 0.00 0.00 -0.72 0.04 -1.59 -1.62 116.94 117.25 1kbk h PHE 248 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1kbk h PHE 248 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1kbk h PHE 248 CO 0.16 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.28 1kbk n GLY 249 N -1.41 -1.28 0.06 -1.45 0.00 -1.26 -3.30 105.19 96.54 1kbk n GLY 249 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1kbk n GLY 249 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kbk n ASN 250 N -2.05 0.03 0.00 1.61 3.02 -0.61 -5.06 115.26 112.20 1kbk n ASN 250 Ca 0.03 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1kbk n ASN 250 Cb 0.25 1.42 0.00 0.00 -0.61 0.00 0.00 39.78 40.83 1kbk n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kbk n GLY 251 N 1.52 -0.24 3.85 7.41 0.00 -1.21 -4.84 105.19 111.69 1kbk n GLY 251 Ca -0.19 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1kbk n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kbk s ARG 252 N -2.00 1.40 0.07 1.61 0.52 0.01 -4.39 118.95 116.16 1kbk s ARG 252 Ca 0.00 0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.34 1kbk s ARG 252 Cb 0.00 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 1kbk s ARG 252 CO 0.00 -1.99 -0.09 0.14 0.02 0.00 0.00 175.30 173.39 1kbk s VAL 253 N -3.50 0.71 0.08 3.52 -7.23 0.37 -0.88 120.40 113.47 1kbk s VAL 253 Ca 0.64 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.11 1kbk s VAL 253 Cb -0.11 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.73 1kbk s VAL 253 CO 0.51 -0.51 1.17 0.42 -0.31 0.00 0.00 175.10 176.38 1kbk s THR 254 N -2.08 4.07 -0.81 5.32 -4.23 -0.62 -1.71 115.64 115.57 1kbk s THR 254 Ca -0.01 1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 61.89 1kbk s THR 254 Cb -0.05 -3.98 0.21 0.00 1.34 0.00 0.00 72.50 70.03 1kbk s THR 254 CO -0.01 0.14 0.74 -0.70 -0.54 0.00 0.00 174.62 174.25 1kbk s GLU 255 N 0.83 3.51 0.50 3.99 2.56 -0.86 -4.54 118.70 124.69 1kbk s GLU 255 Ca 0.57 -2.48 0.32 0.00 0.00 0.00 0.00 54.97 53.38 1kbk s GLU 255 Cb -0.29 -4.37 1.31 0.00 2.00 0.00 0.00 34.13 32.78 1kbk s GLU 255 CO 0.30 -1.28 1.94 0.74 -0.56 0.00 0.00 175.26 176.40 1kbk h PHE 256 N 7.70 0.00 0.00 5.30 0.04 -1.86 -2.63 116.94 125.49 1kbk h PHE 256 Ca 0.10 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 1kbk h PHE 256 Cb 1.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 1kbk h PHE 256 CO 1.01 0.00 -0.26 0.87 -0.60 0.00 0.00 178.31 179.32 1kbk h LYS 257 N 0.00 0.00 0.71 1.51 1.57 -1.90 -3.03 116.57 115.43 1kbk h LYS 257 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1kbk h LYS 257 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1kbk h LYS 257 CO 0.00 0.26 -0.49 -0.92 -0.57 0.00 0.00 179.45 177.74 1kbk h TYR 258 N 0.00 -1.31 -0.33 -1.35 5.03 -1.81 -0.98 116.97 116.22 1kbk h TYR 258 Ca -0.00 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.19 1kbk h TYR 258 Cb 0.62 0.48 -0.01 0.00 1.55 0.00 0.00 36.73 39.36 1kbk h TYR 258 CO 0.00 -0.71 -0.25 0.78 -1.32 0.00 0.00 178.16 176.67 1kbk h GLY 259 N -1.14 0.71 1.00 1.82 0.00 -1.62 -1.39 103.07 102.46 1kbk h GLY 259 Ca -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1kbk h GLY 259 CO 0.06 0.55 0.08 0.00 0.00 0.00 0.00 176.54 177.24 1kbk h ALA 260 N 1.16 0.16 -0.13 3.60 0.00 -1.45 -1.07 119.26 121.53 1kbk h ALA 260 Ca 0.08 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1kbk h ALA 260 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1kbk h ALA 260 CO 0.06 -0.35 -0.72 0.87 0.00 0.00 0.00 179.25 179.11 1kbk h LYS 261 N 0.17 0.59 -0.72 0.00 1.79 -1.13 -2.76 116.57 114.52 1kbk h LYS 261 Ca 0.05 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 58.04 1kbk h LYS 261 Cb -0.02 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 1kbk h LYS 261 CO -0.01 1.09 0.39 1.25 -1.08 0.00 0.00 179.45 181.08 1kbk h LEU 262 N 0.41 0.89 -0.04 2.94 5.85 -1.15 -1.55 115.31 122.65 1kbk h LEU 262 Ca -0.03 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1kbk h LEU 262 Cb 1.31 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1kbk h LEU 262 CO 0.14 0.72 0.02 1.23 -0.34 0.00 0.00 178.44 180.20 1kbk h GLY 263 N 1.05 0.07 1.41 3.75 0.00 -1.09 -1.17 103.07 107.09 1kbk h GLY 263 Ca 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1kbk h GLY 263 CO -0.04 0.03 0.15 -0.91 0.00 0.00 0.00 176.54 175.77 1kbk h THR 264 N -0.08 1.21 0.15 4.70 1.35 -1.20 -0.83 112.91 118.20 1kbk h THR 264 Ca 0.01 -0.71 -0.01 0.00 -0.55 0.00 0.00 66.41 65.16 1kbk h THR 264 Cb 0.16 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1kbk h THR 264 CO -0.00 0.27 -0.07 0.58 -0.25 0.00 0.00 175.52 176.04 1kbk h VAL 265 N 0.73 0.99 -0.19 6.82 2.07 -1.15 0.14 116.25 125.66 1kbk h VAL 265 Ca 0.17 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1kbk h VAL 265 Cb 0.23 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1kbk h VAL 265 CO -0.01 0.16 -0.15 0.40 0.02 0.00 0.00 177.57 177.98 1kbk h ILE 266 N -0.52 1.21 -0.00 4.57 5.03 -1.13 -0.71 117.51 125.96 1kbk h ILE 266 Ca -0.02 -0.93 0.00 0.00 -0.12 0.00 0.00 64.86 63.79 1kbk h ILE 266 Cb 0.41 1.24 0.00 0.00 -3.03 0.00 0.00 36.82 35.44 1kbk h ILE 266 CO 0.03 0.29 -0.05 0.54 -0.68 0.00 0.00 178.15 178.28 1kbk n ARG 267 N -4.23 0.05 -3.52 2.37 1.74 -0.33 -4.93 116.66 107.82 1kbk n ARG 267 Ca -0.00 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 1kbk n ARG 267 Cb 0.30 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.32 1kbk n ARG 267 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kbk n LYS 268 N -1.47 -7.43 -3.01 5.56 5.02 -0.18 -4.99 118.16 111.65 1kbk n LYS 268 Ca 0.08 0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 56.85 1kbk n LYS 268 Cb 0.33 -5.80 -0.06 0.00 -0.02 0.00 0.00 35.03 29.48 1kbk n LYS 268 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1kbk s TRP 269 N -3.32 3.42 -1.41 2.13 0.52 0.31 -4.00 118.94 116.59 1kbk s TRP 269 Ca 0.41 1.40 -0.00 0.00 0.02 0.00 0.00 56.10 57.93 1kbk s TRP 269 Cb -0.18 -2.67 0.00 0.00 -1.15 0.00 0.00 33.47 29.47 1kbk s TRP 269 CO 0.71 0.08 0.00 0.09 0.02 0.00 0.00 176.95 177.85 1kbk n ASN 270 N -0.21 -4.90 0.00 2.95 5.03 -1.26 -1.54 115.26 115.33 1kbk n ASN 270 Ca 0.04 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.58 1kbk n ASN 270 Cb 0.53 -4.11 0.00 0.00 -1.02 0.00 0.00 39.78 35.18 1kbk n ASN 270 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kbk n GLY 271 N -0.91 0.40 3.78 7.41 0.00 -1.26 -5.01 105.19 109.61 1kbk n GLY 271 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1kbk n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kbk s GLU 272 N -0.55 3.26 0.04 1.61 2.02 -0.59 -5.05 118.70 119.44 1kbk s GLU 272 Ca 0.00 1.40 -0.07 0.00 0.02 0.00 0.00 54.97 56.32 1kbk s GLU 272 Cb 0.00 -2.01 -0.00 0.00 0.10 0.00 0.00 34.13 32.22 1kbk s GLU 272 CO 0.00 -0.88 0.15 -1.59 0.02 0.00 0.00 175.26 172.95 1kbk s LYS 273 N -3.71 0.63 0.60 1.61 -2.85 -1.26 -4.48 119.74 110.27 1kbk s LYS 273 Ca 0.68 -0.67 0.30 0.00 -1.00 0.00 0.00 55.97 55.28 1kbk s LYS 273 Cb -0.20 0.25 1.69 0.00 -2.06 0.00 0.00 37.83 37.52 1kbk s LYS 273 CO 0.32 -0.17 2.10 0.52 0.10 0.00 0.00 175.35 178.23 1kbk h MET 274 N 3.61 0.00 0.00 1.78 2.86 -1.79 -1.23 114.93 120.17 1kbk h MET 274 Ca -0.32 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 1kbk h MET 274 Cb 1.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1kbk h MET 274 CO 0.49 0.00 -0.06 0.66 1.06 0.00 0.00 176.91 179.05 1kbk h SER 275 N 0.00 0.00 0.80 1.22 4.64 -1.76 -0.62 113.55 117.84 1kbk h SER 275 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1kbk h SER 275 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1kbk h SER 275 CO -0.00 0.06 0.00 -1.22 -0.87 0.00 0.00 176.83 174.80 1kbk n TYR 276 N -3.57 0.46 1.39 4.77 4.01 -0.46 -3.12 117.16 120.64 1kbk n TYR 276 Ca -0.02 0.17 0.11 0.00 -0.16 0.00 0.00 57.90 58.00 1kbk n TYR 276 Cb 0.17 -0.77 0.67 0.00 -0.31 0.00 0.00 39.34 39.10 1kbk n TYR 276 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1kbk n LEU 277 N -1.91 0.00 -0.21 7.72 4.77 -0.24 -3.89 117.00 123.25 1kbk n LEU 277 Ca 0.04 0.03 0.17 0.00 -0.03 0.00 0.00 56.01 56.22 1kbk n LEU 277 Cb 0.25 -0.03 0.50 0.00 -2.33 0.00 0.00 43.42 41.81 1kbk n LEU 277 CO 0.20 -0.01 1.22 0.50 -1.33 0.00 0.00 177.39 177.97 1kbk h LYS 278 N 0.00 0.42 -0.38 3.23 3.64 -1.74 -1.18 116.57 120.56 1kbk h LYS 278 Ca 0.00 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 1kbk h LYS 278 Cb 0.02 -0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 31.60 1kbk h LYS 278 CO 0.00 0.28 -0.20 0.27 -2.27 0.00 0.00 179.45 177.53 1kbk n ASN 279 N -4.50 2.93 -4.67 4.20 6.94 -1.25 -5.05 115.26 113.86 1kbk n ASN 279 Ca 0.17 -3.81 -0.43 0.00 -0.02 0.00 0.00 54.58 50.48 1kbk n ASN 279 Cb 0.60 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1kbk n ASN 279 CO 0.00 0.00 0.00 1.87 -1.03 0.00 0.00 177.26 178.10 1kbk n TRP 280 N -1.06 2.00 0.00 -2.53 -0.00 -0.45 -3.99 117.44 111.41 1kbk n TRP 280 Ca 0.34 0.58 0.00 0.00 -0.00 0.00 0.00 57.50 58.42 1kbk n TRP 280 Cb 0.95 -2.38 0.00 0.00 -0.00 0.00 0.00 31.31 29.89 1kbk n TRP 280 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1kbk n GLY 281 N 1.07 0.10 0.37 5.87 0.00 -1.26 -4.72 105.19 106.61 1kbk n GLY 281 Ca 0.07 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.50 1kbk n GLY 281 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kbk h GLU 282 N 0.00 0.55 -0.03 1.61 3.07 -1.82 -0.06 114.58 117.90 1kbk h GLU 282 Ca 0.00 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1kbk h GLU 282 Cb 0.00 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1kbk h GLU 282 CO 0.00 0.37 0.23 0.78 -1.40 0.00 0.00 179.01 178.98 1kbk h GLY 283 N 0.57 0.00 -2.04 -3.84 0.00 -1.85 0.38 103.07 96.29 1kbk h GLY 283 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1kbk h GLY 283 CO -0.15 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.18 1kbk n TRP 284 N -3.06 0.69 -0.67 5.60 7.02 -0.04 -4.91 117.44 122.08 1kbk n TRP 284 Ca -0.02 -0.35 0.00 0.00 -1.02 0.00 0.00 57.50 56.12 1kbk n TRP 284 Cb 0.29 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 1kbk n TRP 284 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1kbk n GLY 285 N 1.41 0.60 3.90 6.99 0.00 0.13 -5.03 105.19 113.19 1kbk n GLY 285 Ca 0.19 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1kbk n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kbk s PHE 286 N -2.00 3.43 0.91 1.61 0.08 -1.22 -5.03 117.98 115.76 1kbk s PHE 286 Ca 0.00 0.88 -0.11 0.00 0.12 0.00 0.00 56.93 57.82 1kbk s PHE 286 Cb 0.00 -2.65 0.14 0.00 -0.57 0.00 0.00 43.02 39.94 1kbk s PHE 286 CO 0.00 -0.68 1.09 0.14 -0.10 0.00 0.00 175.22 175.67 1kbk s VAL 287 N -3.00 2.57 0.33 -0.44 -7.23 -1.26 -4.50 120.40 106.86 1kbk s VAL 287 Ca 0.53 0.18 -0.28 0.00 -1.81 0.00 0.00 61.98 60.60 1kbk s VAL 287 Cb -0.11 -2.51 -0.12 0.00 0.56 0.00 0.00 36.38 34.20 1kbk s VAL 287 CO 0.48 -0.24 1.29 -2.65 -0.31 0.00 0.00 175.10 173.67 1kbk n PRO 288 N -4.04 2.10 -0.34 4.82 -0.02 -1.26 -4.66 135.00 131.61 1kbk n PRO 288 Ca 0.08 0.74 0.14 0.00 -2.02 0.00 0.00 63.50 62.43 1kbk n PRO 288 Cb 0.54 -2.32 0.33 0.00 -0.02 0.00 0.00 33.50 32.03 1kbk n PRO 288 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1kbk h SER 289 N 2.71 0.65 0.00 2.55 0.87 -1.96 -0.30 113.55 118.08 1kbk h SER 289 Ca -0.46 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1kbk h SER 289 Cb 1.28 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1kbk h SER 289 CO 0.64 0.17 0.00 -0.90 -0.53 0.00 0.00 176.83 176.21 1kbk n ASP 290 N -4.86 0.00 0.00 6.23 5.75 -1.26 -2.17 116.55 120.23 1kbk n ASP 290 Ca 0.24 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 1kbk n ASP 290 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1kbk n ASP 290 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1kbk n ARG 291 N -0.77 1.28 -4.11 0.11 5.12 -0.14 -4.90 116.66 113.26 1kbk n ARG 291 Ca 0.09 -0.95 -0.36 0.00 -1.93 0.00 0.00 57.85 54.70 1kbk n ARG 291 Cb 0.04 -0.85 -0.08 0.00 -1.16 0.00 0.00 32.46 30.41 1kbk n ARG 291 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kbk s ALA 292 N -0.50 3.54 -0.23 7.54 0.00 -0.92 -0.48 121.76 130.71 1kbk s ALA 292 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1kbk s ALA 292 Cb 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.39 1kbk s ALA 292 CO 0.00 0.52 -0.10 -1.17 0.00 0.00 0.00 175.76 175.01 1kbk s LEU 293 N -0.69 2.89 0.29 0.00 1.98 -0.70 -1.89 118.68 120.57 1kbk s LEU 293 Ca 0.12 -0.79 0.09 0.00 -2.89 0.00 0.00 54.13 50.67 1kbk s LEU 293 Cb -0.12 -1.62 -0.04 0.00 0.66 0.00 0.00 46.19 45.07 1kbk s LEU 293 CO 0.02 -0.08 0.01 0.68 -1.89 0.00 0.00 176.35 175.09 1kbk s VAL 294 N 1.32 3.23 -0.04 1.68 -7.23 0.24 -2.03 120.40 117.57 1kbk s VAL 294 Ca 0.02 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 1kbk s VAL 294 Cb -0.16 -2.83 0.11 0.00 0.56 0.00 0.00 36.38 34.06 1kbk s VAL 294 CO -0.07 -0.33 0.97 0.72 -0.31 0.00 0.00 175.10 176.09 1kbk s PHE 295 N -2.37 -0.29 -0.13 2.82 -0.71 -1.26 -1.14 117.98 114.90 1kbk s PHE 295 Ca 0.33 0.17 -0.24 0.00 -1.04 0.00 0.00 56.93 56.15 1kbk s PHE 295 Cb -0.05 0.54 -0.26 0.00 -1.21 0.00 0.00 43.02 42.04 1kbk s PHE 295 CO 0.20 -0.47 0.64 0.28 -1.34 0.00 0.00 175.22 174.53 1kbk h VAL 296 N 2.00 1.43 -4.23 -2.49 2.07 -1.94 -3.27 116.25 109.82 1kbk h VAL 296 Ca -0.19 -2.36 -0.13 0.00 0.82 0.00 0.00 66.70 64.84 1kbk h VAL 296 Cb 1.22 3.00 -0.15 0.00 -1.52 0.00 0.00 31.29 33.85 1kbk h VAL 296 CO 0.29 0.58 -0.62 1.51 0.02 0.00 0.00 177.57 179.35 1kbk s ASP 297 N -6.63 0.38 0.32 0.57 -4.77 -1.26 -4.53 116.67 100.74 1kbk s ASP 297 Ca -0.20 -1.01 0.03 0.00 -3.30 0.00 0.00 52.55 48.07 1kbk s ASP 297 Cb 0.01 0.25 -0.05 0.00 -1.09 0.00 0.00 42.92 42.04 1kbk s ASP 297 CO 0.71 -0.66 0.09 0.54 0.70 0.00 0.00 175.17 176.54 1kbk s ASN 298 N -2.95 2.10 0.54 2.11 4.22 -1.26 -4.71 114.94 115.00 1kbk s ASN 298 Ca 0.12 -1.45 0.25 0.00 -2.14 0.00 0.00 52.86 49.64 1kbk s ASN 298 Cb 0.07 0.14 1.43 0.00 1.28 0.00 0.00 41.25 44.17 1kbk s ASN 298 CO -0.06 -0.73 2.01 1.12 -2.04 0.00 0.00 177.10 177.41 1kbk h HIS 299 N 2.12 0.00 0.00 1.54 2.07 -1.99 -2.08 115.15 116.80 1kbk h HIS 299 Ca -0.39 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.12 1kbk h HIS 299 Cb 1.25 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.23 1kbk h HIS 299 CO 0.77 0.00 -0.10 0.22 -3.07 0.00 0.00 177.93 175.75 1kbk h ASP 300 N 0.00 0.00 0.56 3.10 1.82 -1.96 -3.38 116.42 116.56 1kbk h ASP 300 Ca 0.21 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1kbk h ASP 300 Cb 0.87 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1kbk h ASP 300 CO -0.00 0.74 0.00 -0.46 -1.61 0.00 0.00 179.24 177.91 1kbk n ASN 301 N -4.69 0.00 0.03 2.28 0.23 -1.17 -2.52 115.26 109.42 1kbk n ASN 301 Ca -0.06 0.02 0.12 0.00 -0.53 0.00 0.00 54.58 54.13 1kbk n ASN 301 Cb 0.22 -0.32 0.49 0.00 -2.08 0.00 0.00 39.78 38.08 1kbk n ASN 301 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kbk n GLN 302 N -1.32 0.07 -0.86 -3.83 10.64 -0.79 -2.70 117.38 118.58 1kbk n GLN 302 Ca 0.11 0.15 -0.02 0.00 -1.83 0.00 0.00 57.00 55.41 1kbk n GLN 302 Cb 0.22 -1.60 0.18 0.00 -0.86 0.00 0.00 30.24 28.19 1kbk n GLN 302 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1kbk n ARG 303 N -1.72 1.93 -0.40 2.61 1.85 -1.12 -4.92 116.66 114.89 1kbk n ARG 303 Ca 0.05 -3.36 0.00 0.00 -1.00 0.00 0.00 57.85 53.54 1kbk n ARG 303 Cb 0.30 -1.79 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 1kbk n ARG 303 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1kbk n GLY 304 N -1.07 0.32 0.00 2.89 0.00 -1.10 -4.80 105.19 101.43 1kbk n GLY 304 Ca 0.28 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.37 1kbk n GLY 304 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1kbk n HIS 305 N -2.00 0.00 -3.06 1.61 -0.00 -1.05 -4.86 115.22 105.87 1kbk n HIS 305 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1kbk n HIS 305 Cb 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 29.99 29.60 1kbk n HIS 305 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1kbk n GLY 306 N -0.05 4.63 3.70 -1.41 0.00 -1.20 -4.75 105.19 106.11 1kbk n GLY 306 Ca 0.05 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1kbk n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbk s ALA 307 N -1.85 3.82 0.00 4.61 0.00 -1.26 -3.14 121.76 123.93 1kbk s ALA 307 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1kbk s ALA 307 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1kbk s ALA 307 CO 0.00 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1kbk n GLY 308 N 4.05 2.65 7.00 0.00 0.00 -1.26 -4.83 105.19 112.80 1kbk n GLY 308 Ca 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1kbk n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kbk n GLY 309 N 0.00 1.84 0.16 -0.02 0.00 -1.19 -3.48 105.19 102.52 1kbk n GLY 309 Ca 0.00 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1kbk n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kbk h ALA 310 N -0.56 1.00 0.00 4.61 0.00 -1.94 -3.22 119.26 119.15 1kbk h ALA 310 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1kbk h ALA 310 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1kbk h ALA 310 CO 0.00 0.00 -0.50 0.66 0.00 0.00 0.00 179.25 179.41 1kbk h SER 311 N 0.00 0.00 -2.15 0.00 4.64 -1.91 -3.46 113.55 110.66 1kbk h SER 311 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1kbk h SER 311 Cb 0.42 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.57 1kbk h SER 311 CO 0.00 0.50 0.68 -0.38 -0.87 0.00 0.00 176.83 176.76 1kbk n ILE 312 N -3.34 0.11 -3.46 0.95 2.08 -1.22 -4.37 119.36 110.11 1kbk n ILE 312 Ca 0.01 -0.03 -0.37 0.00 0.56 0.00 0.00 62.75 62.92 1kbk n ILE 312 Cb 0.67 -1.33 -0.06 0.00 -0.75 0.00 0.00 39.64 38.17 1kbk n ILE 312 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1kbk s LEU 313 N 0.72 4.46 0.33 1.39 1.43 -1.26 -5.04 118.68 120.71 1kbk s LEU 313 Ca 0.79 1.00 0.08 0.00 -1.03 0.00 0.00 54.13 54.97 1kbk s LEU 313 Cb -0.75 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 1kbk s LEU 313 CO 0.41 0.28 0.28 0.42 0.23 0.00 0.00 176.35 177.98 1kbk s THR 314 N -1.16 0.00 0.63 5.49 -4.23 -1.26 -4.36 115.64 110.75 1kbk s THR 314 Ca 0.27 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.12 1kbk s THR 314 Cb -0.17 -2.50 0.38 0.00 1.34 0.00 0.00 72.50 71.55 1kbk s THR 314 CO 0.15 0.00 2.20 2.19 -0.54 0.00 0.00 174.62 178.62 1kbk h PHE 315 N 2.12 0.00 -0.13 3.99 -5.15 -1.96 -0.31 116.94 115.50 1kbk h PHE 315 Ca -0.24 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.50 1kbk h PHE 315 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.39 1kbk h PHE 315 CO 1.76 0.00 -0.02 -1.49 -2.00 0.00 0.00 178.31 176.56 1kbk h TRP 316 N 0.00 0.18 -2.05 6.09 4.06 -1.97 -2.50 115.95 119.76 1kbk h TRP 316 Ca 0.03 -0.01 -0.75 0.00 2.06 0.00 0.00 58.89 60.22 1kbk h TRP 316 Cb 0.25 -0.06 -0.30 0.00 -1.00 0.00 0.00 29.16 28.05 1kbk h TRP 316 CO 0.00 0.22 0.69 -0.25 -3.56 0.00 0.00 178.44 175.54 1kbk n ASP 317 N -4.40 6.88 -0.26 -3.49 9.92 -0.13 -4.92 116.55 120.14 1kbk n ASP 317 Ca -0.01 -3.76 -0.07 0.00 -0.53 0.00 0.00 54.79 50.42 1kbk n ASP 317 Cb 0.17 -0.98 -0.06 0.00 -0.64 0.00 0.00 41.12 39.60 1kbk n ASP 317 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kbk n ALA 318 N -0.35 -0.40 0.03 2.24 0.00 -0.94 -0.64 120.51 120.46 1kbk n ALA 318 Ca 0.48 0.53 -0.10 0.00 0.00 0.00 0.00 53.44 54.34 1kbk n ALA 318 Cb 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 1kbk n ALA 318 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1kbk h ARG 319 N 0.00 -0.23 -0.12 0.00 2.43 -1.90 -1.19 114.38 113.37 1kbk h ARG 319 Ca 0.10 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 1kbk h ARG 319 Cb 0.25 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1kbk h ARG 319 CO -0.58 -0.15 -0.54 -0.07 -1.51 0.00 0.00 179.97 177.11 1kbk h LEU 320 N -0.24 0.39 -0.32 3.80 3.38 -1.82 -3.15 115.31 117.35 1kbk h LEU 320 Ca 0.07 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1kbk h LEU 320 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1kbk h LEU 320 CO -0.19 0.85 0.20 0.22 0.09 0.00 0.00 178.44 179.61 1kbk h TYR 321 N 0.27 0.37 -0.72 1.13 3.20 -0.53 -1.50 116.97 119.19 1kbk h TYR 321 Ca 0.00 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1kbk h TYR 321 Cb 1.04 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1kbk h TYR 321 CO 0.03 0.23 0.48 0.87 -1.64 0.00 0.00 178.16 178.12 1kbk h LYS 322 N 0.40 0.89 -0.31 1.82 1.57 -1.22 -0.39 116.57 119.34 1kbk h LYS 322 Ca 0.12 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1kbk h LYS 322 Cb -0.02 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1kbk h LYS 322 CO -0.04 0.59 -0.10 0.52 -0.57 0.00 0.00 179.45 179.85 1kbk h MET 323 N 0.92 0.61 -0.17 3.15 2.86 -1.39 0.16 114.93 121.06 1kbk h MET 323 Ca 0.28 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1kbk h MET 323 Cb -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1kbk h MET 323 CO -0.07 0.81 0.08 0.00 1.06 0.00 0.00 176.91 178.79 1kbk h ALA 324 N 0.78 0.22 -0.76 6.32 0.00 -0.80 0.84 119.26 125.85 1kbk h ALA 324 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1kbk h ALA 324 Cb 0.60 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1kbk h ALA 324 CO 0.04 -0.23 0.35 0.28 0.00 0.00 0.00 179.25 179.68 1kbk h VAL 325 N 0.15 1.24 -0.41 0.00 2.07 -1.09 -0.53 116.25 117.69 1kbk h VAL 325 Ca 0.06 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1kbk h VAL 325 Cb 0.10 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1kbk h VAL 325 CO -0.01 0.30 0.25 1.23 0.02 0.00 0.00 177.57 179.36 1kbk h GLY 326 N 1.13 0.59 0.94 2.17 0.00 -0.44 -0.66 103.07 106.82 1kbk h GLY 326 Ca 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1kbk h GLY 326 CO -0.03 0.24 0.13 -2.75 0.00 0.00 0.00 176.54 174.13 1kbk h PHE 327 N 0.54 0.68 -0.28 5.60 3.57 -0.40 -2.08 116.94 124.57 1kbk h PHE 327 Ca 0.15 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1kbk h PHE 327 Cb -0.00 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1kbk h PHE 327 CO -0.03 0.62 0.14 1.98 -2.23 0.00 0.00 178.31 178.78 1kbk h MET 328 N 0.54 0.28 0.00 1.11 4.05 -0.83 -0.94 114.93 119.14 1kbk h MET 328 Ca 0.14 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.49 1kbk h MET 328 Cb 0.26 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1kbk h MET 328 CO -0.00 0.18 -0.21 -0.07 0.23 0.00 0.00 176.91 177.04 1kbk h LEU 329 N 0.29 0.00 0.01 3.39 3.38 -1.03 -3.03 115.31 118.31 1kbk h LEU 329 Ca 0.12 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 1kbk h LEU 329 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1kbk h LEU 329 CO -0.08 0.21 -1.41 0.00 0.09 0.00 0.00 178.44 177.25 1kbk h ALA 330 N 1.79 0.58 -2.61 1.53 0.00 -1.03 -3.38 119.26 116.13 1kbk h ALA 330 Ca -0.00 -1.22 -0.51 0.00 0.00 0.00 0.00 54.91 53.17 1kbk h ALA 330 Cb 0.60 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1kbk h ALA 330 CO 0.03 1.43 0.36 -1.58 0.00 0.00 0.00 179.25 179.49 1kbk s HIS 331 N -2.64 3.84 0.58 0.00 5.65 -0.39 -4.95 115.29 117.37 1kbk s HIS 331 Ca -0.03 1.82 0.41 0.00 0.25 0.00 0.00 55.06 57.51 1kbk s HIS 331 Cb 0.09 -3.05 2.19 0.00 -1.18 0.00 0.00 32.58 30.63 1kbk s HIS 331 CO 0.82 0.22 2.30 -1.00 -0.65 0.00 0.00 174.74 176.43 1kbk h PRO 332 N 5.22 0.00 -6.67 2.88 0.13 -1.90 -3.46 132.00 128.21 1kbk h PRO 332 Ca -0.43 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 1kbk h PRO 332 Cb 1.21 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.39 1kbk h PRO 332 CO 0.71 0.01 0.83 -0.47 -0.23 0.00 0.00 178.00 178.85 1kbk s TYR 333 N -4.16 3.03 0.24 1.56 5.04 -1.26 -4.89 117.35 116.91 1kbk s TYR 333 Ca -0.04 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 1kbk s TYR 333 Cb 0.13 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.55 1kbk s TYR 333 CO 0.45 -3.14 0.00 0.41 -1.34 0.00 0.00 175.55 171.94 1kbk n GLY 334 N 3.09 -1.87 3.53 8.97 0.00 -1.26 -4.82 105.19 112.84 1kbk n GLY 334 Ca 0.11 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 1kbk n GLY 334 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kbk s PHE 335 N -1.73 3.13 0.03 1.61 5.36 -0.79 -4.94 117.98 120.64 1kbk s PHE 335 Ca 0.00 -0.20 -0.17 0.00 -0.96 0.00 0.00 56.93 55.60 1kbk s PHE 335 Cb 0.00 -2.09 -0.06 0.00 -0.34 0.00 0.00 43.02 40.53 1kbk s PHE 335 CO 0.00 -0.06 0.49 0.95 -1.46 0.00 0.00 175.22 175.13 1kbk s THR 336 N 0.75 4.90 -0.11 0.12 -4.23 -1.26 -0.59 115.64 115.21 1kbk s THR 336 Ca 0.02 1.02 0.03 0.00 -1.18 0.00 0.00 61.69 61.58 1kbk s THR 336 Cb -0.14 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.91 1kbk s THR 336 CO 0.02 0.56 -0.19 -0.60 -0.54 0.00 0.00 174.62 173.86 1kbk s ARG 337 N -1.01 2.64 -0.08 3.99 3.52 -0.29 -2.18 118.95 125.54 1kbk s ARG 337 Ca 0.26 -0.72 -0.10 0.00 -0.13 0.00 0.00 55.73 55.04 1kbk s ARG 337 Cb -0.18 -2.12 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1kbk s ARG 337 CO 0.16 0.02 0.24 0.08 -0.81 0.00 0.00 175.30 175.00 1kbk s VAL 338 N 0.73 5.32 0.10 7.11 1.01 0.26 -4.49 120.40 130.44 1kbk s VAL 338 Ca -0.11 0.45 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 1kbk s VAL 338 Cb -0.16 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1kbk s VAL 338 CO 0.02 0.60 0.41 -0.32 0.00 0.00 0.00 175.10 175.80 1kbk s MET 339 N -1.01 3.75 -0.13 2.72 1.75 -1.26 -0.48 119.30 124.63 1kbk s MET 339 Ca 0.18 0.15 -0.03 0.00 -1.25 0.00 0.00 55.69 54.74 1kbk s MET 339 Cb -0.14 -2.95 0.05 0.00 2.84 0.00 0.00 34.83 34.63 1kbk s MET 339 CO 0.07 0.53 0.05 0.45 -0.65 0.00 0.00 175.02 175.47 1kbk s SER 340 N -1.89 2.10 0.29 1.11 0.15 -0.87 -4.28 113.70 110.30 1kbk s SER 340 Ca 0.35 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.60 1kbk s SER 340 Cb -0.13 -0.37 0.01 0.00 -1.71 0.00 0.00 66.02 63.82 1kbk s SER 340 CO 0.19 -0.28 0.10 -1.20 1.20 0.00 0.00 173.24 173.25 1kbk n SER 341 N 5.19 2.45 -4.20 5.45 7.64 -1.26 -3.16 113.62 125.72 1kbk n SER 341 Ca -0.07 -2.17 -0.18 0.00 1.01 0.00 0.00 58.87 57.47 1kbk n SER 341 Cb 0.49 0.11 -0.11 0.00 -1.01 0.00 0.00 64.21 63.68 1kbk n SER 341 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1kbk s TYR 342 N -1.81 1.29 0.28 1.43 -0.85 -1.26 -0.07 117.35 116.36 1kbk s TYR 342 Ca 0.07 -0.52 -0.19 0.00 -0.52 0.00 0.00 57.07 55.91 1kbk s TYR 342 Cb -0.01 -0.70 -0.09 0.00 0.38 0.00 0.00 41.96 41.55 1kbk s TYR 342 CO 0.05 0.09 0.78 1.03 -1.52 0.00 0.00 175.55 175.97 1kbk s ARG 343 N -2.23 4.22 0.05 -3.49 0.52 -0.04 -4.83 118.95 113.15 1kbk s ARG 343 Ca 0.03 0.89 0.01 0.00 -0.52 0.00 0.00 55.73 56.15 1kbk s ARG 343 Cb -0.07 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 1kbk s ARG 343 CO 0.02 0.28 -0.05 1.67 0.02 0.00 0.00 175.30 177.24 1kbk s TRP 344 N -1.72 0.56 -0.93 -0.53 -2.14 -1.26 -4.83 118.94 108.09 1kbk s TRP 344 Ca 0.49 -0.71 -0.24 0.00 2.66 0.00 0.00 56.10 58.29 1kbk s TRP 344 Cb -0.14 -0.36 -0.02 0.00 -3.10 0.00 0.00 33.47 29.84 1kbk s TRP 344 CO 0.20 -0.19 1.81 -1.25 -2.66 0.00 0.00 176.95 174.86 1kbk s PRO 345 N -2.50 2.83 0.23 3.25 0.04 -1.26 -4.96 135.00 132.64 1kbk s PRO 345 Ca -0.04 -0.51 -0.30 0.00 0.04 0.00 0.00 61.00 60.19 1kbk s PRO 345 Cb -0.03 -5.14 -0.10 0.00 0.04 0.00 0.00 34.50 29.27 1kbk s PRO 345 CO -0.03 -3.06 1.45 1.03 0.04 0.00 0.00 177.00 176.42 1kbk s ARG 346 N 6.47 4.27 -0.31 4.56 0.52 -1.26 -4.69 118.95 128.51 1kbk s ARG 346 Ca 0.64 2.29 -0.01 0.00 -0.52 0.00 0.00 55.73 58.12 1kbk s ARG 346 Cb -0.05 -3.12 0.12 0.00 0.52 0.00 0.00 34.95 32.42 1kbk s ARG 346 CO -0.03 -0.44 0.22 -0.65 0.02 0.00 0.00 175.30 174.42 1kbk s GLN 347 N -0.12 0.33 0.32 3.54 -0.21 -1.26 -5.03 119.66 117.23 1kbk s GLN 347 Ca 0.61 -0.54 -0.26 0.00 0.02 0.00 0.00 55.36 55.19 1kbk s GLN 347 Cb -0.42 -0.96 -0.10 0.00 1.00 0.00 0.00 33.01 32.54 1kbk s GLN 347 CO 0.41 -1.07 0.97 -0.06 -2.12 0.00 0.00 175.29 173.42 1kbk s PHE 348 N 1.98 3.66 -0.25 0.91 0.40 -1.26 -1.75 117.98 121.67 1kbk s PHE 348 Ca 0.11 1.77 -0.02 0.00 -0.60 0.00 0.00 56.93 58.20 1kbk s PHE 348 Cb -0.16 -2.98 0.13 0.00 0.51 0.00 0.00 43.02 40.51 1kbk s PHE 348 CO -0.27 0.06 0.34 -0.65 0.70 0.00 0.00 175.22 175.40 1kbk s GLN 349 N -1.98 0.32 -0.98 0.44 -0.21 -0.05 -4.86 119.66 112.35 1kbk s GLN 349 Ca 0.50 0.28 -0.06 0.00 0.02 0.00 0.00 55.36 56.10 1kbk s GLN 349 Cb -0.21 -0.63 0.01 0.00 1.00 0.00 0.00 33.01 33.18 1kbk s GLN 349 CO 0.26 -0.78 0.82 0.09 -2.12 0.00 0.00 175.29 173.57 1kbk n ASN 350 N 5.34 -5.12 -0.03 5.90 3.02 -1.26 -2.91 115.26 120.20 1kbk n ASN 350 Ca -0.03 -0.37 -0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1kbk n ASN 350 Cb 0.49 -3.73 -0.00 0.00 -0.61 0.00 0.00 39.78 35.93 1kbk n ASN 350 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kbk n GLY 351 N -1.56 0.47 3.00 7.41 0.00 -1.26 -5.03 105.19 108.22 1kbk n GLY 351 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1kbk n GLY 351 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kbk s ASN 352 N -2.24 1.32 -0.48 1.61 2.20 -1.15 -5.08 114.94 111.13 1kbk s ASN 352 Ca 0.00 -0.21 -0.28 0.00 -0.94 0.00 0.00 52.86 51.43 1kbk s ASN 352 Cb 0.00 -0.43 0.03 0.00 -2.00 0.00 0.00 41.25 38.85 1kbk s ASN 352 CO 0.00 0.05 1.11 -0.62 -2.94 0.00 0.00 177.10 174.70 1kbk s ASP 353 N 0.34 6.60 0.00 3.54 2.15 -1.26 -0.87 116.67 127.17 1kbk s ASP 353 Ca -0.06 0.38 0.23 0.00 0.43 0.00 0.00 52.55 53.53 1kbk s ASP 353 Cb -0.11 -2.53 1.10 0.00 -0.30 0.00 0.00 42.92 41.08 1kbk s ASP 353 CO 0.01 -1.24 1.75 1.33 -0.17 0.00 0.00 175.17 176.86 1kbk n VAL 354 N 6.77 0.33 -1.25 1.11 0.24 -0.72 -3.00 118.33 121.81 1kbk n VAL 354 Ca 0.11 0.08 -0.01 0.00 -2.04 0.00 0.00 64.34 62.48 1kbk n VAL 354 Cb 0.49 -0.69 0.22 0.00 -1.47 0.00 0.00 33.84 32.39 1kbk n VAL 354 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1kbk n ASN 355 N -1.37 3.18 0.00 -1.34 3.02 -1.26 -4.64 115.26 112.86 1kbk n ASN 355 Ca 0.09 -3.47 0.09 0.00 -0.03 0.00 0.00 54.58 51.26 1kbk n ASN 355 Cb 0.22 -0.63 0.46 0.00 -0.61 0.00 0.00 39.78 39.22 1kbk n ASN 355 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1kbk n ASP 356 N -0.87 0.00 0.06 6.41 5.75 -1.16 -2.65 116.55 124.09 1kbk n ASP 356 Ca 0.32 0.07 0.04 0.00 -0.01 0.00 0.00 54.79 55.21 1kbk n ASP 356 Cb 1.06 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.79 1kbk n ASP 356 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1kbk h TRP 357 N 0.00 0.00 -1.28 2.11 5.08 -1.88 -3.48 115.95 116.50 1kbk h TRP 357 Ca 0.00 0.00 -0.78 0.00 1.08 0.00 0.00 58.89 59.19 1kbk h TRP 357 Cb 0.19 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.38 1kbk h TRP 357 CO 0.00 0.36 0.51 0.28 -1.28 0.00 0.00 178.44 178.32 1kbk n VAL 358 N -2.82 0.07 -1.40 0.12 0.31 -1.08 -2.18 118.33 111.35 1kbk n VAL 358 Ca -0.06 -0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 64.10 1kbk n VAL 358 Cb 0.73 -0.61 0.12 0.00 -0.91 0.00 0.00 33.84 33.17 1kbk n VAL 358 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1kbk n GLY 359 N 3.02 -1.53 3.71 2.92 0.00 -1.24 -4.34 105.19 107.72 1kbk n GLY 359 Ca 0.24 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 1kbk n GLY 359 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kbk s PRO 360 N -4.57 1.60 0.04 1.61 0.04 -1.26 -4.90 135.00 127.57 1kbk s PRO 360 Ca 0.41 1.55 -0.37 0.00 0.04 0.00 0.00 61.00 62.63 1kbk s PRO 360 Cb -0.01 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 32.57 1kbk s PRO 360 CO 0.29 -2.20 1.40 -2.30 0.04 0.00 0.00 177.00 174.23 1kbk n PRO 361 N -3.62 1.17 -3.85 0.56 -0.02 -1.26 -4.87 135.00 123.12 1kbk n PRO 361 Ca 0.12 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 1kbk n PRO 361 Cb 0.52 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 1kbk n PRO 361 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1kbk s ASN 362 N 0.89 -0.13 -0.30 2.55 2.20 -1.26 -0.45 114.94 118.44 1kbk s ASN 362 Ca 0.86 -0.67 0.02 0.00 -0.94 0.00 0.00 52.86 52.14 1kbk s ASN 362 Cb -0.96 0.53 0.08 0.00 -2.00 0.00 0.00 41.25 38.90 1kbk s ASN 362 CO 0.49 -1.01 0.00 0.20 -2.94 0.00 0.00 177.10 173.84 1kbk s ASN 363 N -2.92 4.40 -1.47 3.54 0.01 0.24 -4.72 114.94 114.02 1kbk s ASN 363 Ca 0.13 -1.71 -0.11 0.00 -0.71 0.00 0.00 52.86 50.46 1kbk s ASN 363 Cb 0.00 -1.41 0.05 0.00 0.41 0.00 0.00 41.25 40.31 1kbk s ASN 363 CO -0.00 -0.31 0.97 0.59 -1.51 0.00 0.00 177.10 176.84 1kbk n ASN 364 N 4.46 -5.42 0.00 -1.22 5.03 -1.26 -1.36 115.26 115.49 1kbk n ASN 364 Ca -0.04 -0.62 0.00 0.00 0.87 0.00 0.00 54.58 54.79 1kbk n ASN 364 Cb 0.42 -4.32 0.00 0.00 -1.02 0.00 0.00 39.78 34.87 1kbk n ASN 364 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kbk n GLY 365 N -1.74 2.35 3.60 7.41 0.00 -1.26 -5.02 105.19 110.52 1kbk n GLY 365 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1kbk n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kbk s VAL 366 N -2.32 4.82 0.17 1.61 1.01 -0.47 -4.99 120.40 120.23 1kbk s VAL 366 Ca 0.00 1.00 -0.33 0.00 0.00 0.00 0.00 61.98 62.64 1kbk s VAL 366 Cb 0.00 -4.12 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1kbk s VAL 366 CO 0.00 -0.27 1.49 -0.38 0.00 0.00 0.00 175.10 175.94 1kbk n ILE 367 N 5.56 0.29 -2.39 2.22 2.08 -1.26 -0.59 119.36 125.26 1kbk n ILE 367 Ca 0.02 -0.07 -0.34 0.00 0.56 0.00 0.00 62.75 62.92 1kbk n ILE 367 Cb 0.48 -1.41 -0.02 0.00 -0.75 0.00 0.00 39.64 37.94 1kbk n ILE 367 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1kbk s LYS 368 N 0.45 3.65 0.58 0.38 1.02 0.41 -4.86 119.74 121.36 1kbk s LYS 368 Ca 0.76 1.33 -0.15 0.00 0.02 0.00 0.00 55.97 57.93 1kbk s LYS 368 Cb -0.71 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1kbk s LYS 368 CO 0.43 -0.56 1.03 -1.83 -0.92 0.00 0.00 175.35 173.50 1kbk s GLU 369 N -3.46 3.48 -0.42 1.68 1.03 -1.26 -4.90 118.70 114.85 1kbk s GLU 369 Ca 0.67 1.08 -0.26 0.00 0.03 0.00 0.00 54.97 56.49 1kbk s GLU 369 Cb -0.17 -2.06 0.02 0.00 -0.80 0.00 0.00 34.13 31.12 1kbk s GLU 369 CO 0.25 -0.67 0.93 0.08 -1.33 0.00 0.00 175.26 174.53 1kbk s VAL 370 N -2.60 4.52 0.06 1.83 1.01 -1.26 -4.78 120.40 119.18 1kbk s VAL 370 Ca 0.61 0.99 -0.15 0.00 0.00 0.00 0.00 61.98 63.43 1kbk s VAL 370 Cb -0.14 -4.39 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 1kbk s VAL 370 CO 0.38 -0.69 0.47 -0.89 0.00 0.00 0.00 175.10 174.36 1kbk s THR 371 N 3.65 4.94 -0.19 3.92 2.01 -1.26 -4.95 115.64 123.75 1kbk s THR 371 Ca 0.38 0.87 -0.03 0.00 0.31 0.00 0.00 61.69 63.21 1kbk s THR 371 Cb -0.11 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 1kbk s THR 371 CO 0.23 0.47 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.95 1kbk s ILE 372 N -1.20 3.51 0.59 1.82 -1.09 -1.26 -0.41 121.20 123.15 1kbk s ILE 372 Ca 0.29 -0.47 -0.08 0.00 -2.23 0.00 0.00 60.65 58.17 1kbk s ILE 372 Cb -0.17 -2.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.14 1kbk s ILE 372 CO 0.16 0.45 0.93 0.20 -1.23 0.00 0.00 174.94 175.45 1kbk s ASN 373 N 1.04 5.86 0.47 3.58 0.01 0.76 -4.94 114.94 121.71 1kbk s ASN 373 Ca 0.01 0.97 0.30 0.00 -0.71 0.00 0.00 52.86 53.43 1kbk s ASN 373 Cb -0.15 -2.03 1.65 0.00 0.41 0.00 0.00 41.25 41.14 1kbk s ASN 373 CO 0.00 -0.95 1.92 1.55 -1.51 0.00 0.00 177.10 178.12 1kbk h PRO 374 N -0.18 0.00 -0.37 -0.60 0.13 -2.00 0.11 132.00 129.09 1kbk h PRO 374 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1kbk h PRO 374 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1kbk h PRO 374 CO 0.62 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.99 1kbk n ASP 375 N -2.58 2.82 0.00 1.44 3.85 -1.26 -4.93 116.55 115.89 1kbk n ASP 375 Ca -0.02 -1.91 0.00 0.00 -0.71 0.00 0.00 54.79 52.14 1kbk n ASP 375 Cb 0.08 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 1kbk n ASP 375 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1kbk n THR 376 N 1.06 0.00 -2.08 2.12 -2.24 0.37 -5.05 114.28 108.46 1kbk n THR 376 Ca 0.18 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.68 1kbk n THR 376 Cb 0.49 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.85 1kbk n THR 376 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kbk s THR 377 N -3.41 2.09 0.28 4.28 -4.23 -1.26 -4.73 115.64 108.65 1kbk s THR 377 Ca 0.00 -0.15 0.07 0.00 -1.18 0.00 0.00 61.69 60.43 1kbk s THR 377 Cb 0.00 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1kbk s THR 377 CO 0.00 0.00 0.27 0.00 -0.54 0.00 0.00 174.62 174.35 1kbk n GLY 379 N -1.31 4.50 2.41 0.00 0.00 0.45 -4.75 105.19 106.50 1kbk n GLY 379 Ca -0.05 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.61 1kbk n GLY 379 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kbk n ASN 380 N -1.01 -5.22 -0.16 1.61 3.02 -1.26 -2.36 115.26 109.88 1kbk n ASN 380 Ca 0.00 0.10 -0.02 0.00 -0.03 0.00 0.00 54.58 54.63 1kbk n ASN 380 Cb 0.00 -4.40 -0.01 0.00 -0.61 0.00 0.00 39.78 34.76 1kbk n ASN 380 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1kbk n ASP 381 N -1.84 -4.05 -4.73 6.41 8.00 -1.26 -4.75 116.55 114.33 1kbk n ASP 381 Ca -0.21 0.05 -0.40 0.00 0.71 0.00 0.00 54.79 54.94 1kbk n ASP 381 Cb 0.66 -1.74 -0.05 0.00 -0.02 0.00 0.00 41.12 39.97 1kbk n ASP 381 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1kbk s TRP 382 N -1.81 3.64 0.07 1.24 0.52 -1.00 -0.86 118.94 120.75 1kbk s TRP 382 Ca 0.00 1.34 -0.13 0.00 0.02 0.00 0.00 56.10 57.33 1kbk s TRP 382 Cb 0.00 -2.81 -0.24 0.00 -1.15 0.00 0.00 33.47 29.27 1kbk s TRP 382 CO 0.00 0.17 1.17 0.28 0.02 0.00 0.00 176.95 178.58 1kbk h VAL 383 N 4.50 1.30 -6.08 4.03 2.07 -0.80 -3.40 116.25 117.86 1kbk h VAL 383 Ca -0.42 -2.37 -0.40 0.00 0.82 0.00 0.00 66.70 64.33 1kbk h VAL 383 Cb 1.20 2.52 0.11 0.00 -1.52 0.00 0.00 31.29 33.60 1kbk h VAL 383 CO 0.73 0.73 -0.92 0.00 0.02 0.00 0.00 177.57 178.13 1kbk h GLU 385 N -1.72 0.05 0.00 0.00 3.07 -1.87 -1.57 114.58 112.54 1kbk h GLU 385 Ca -0.65 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.20 1kbk h GLU 385 Cb 1.35 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1kbk h GLU 385 CO 0.47 0.13 0.00 -2.39 -1.40 0.00 0.00 179.01 175.82 1kbk n HIS 386 N -4.43 0.27 1.00 4.33 1.44 -1.26 -1.75 115.22 114.81 1kbk n HIS 386 Ca -0.02 0.12 0.10 0.00 -2.01 0.00 0.00 57.72 55.91 1kbk n HIS 386 Cb 0.16 -0.69 -0.10 0.00 0.12 0.00 0.00 29.99 29.48 1kbk n HIS 386 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1kbk n ARG 387 N -1.76 0.21 -1.93 -1.40 1.74 -0.59 -4.11 116.66 108.82 1kbk n ARG 387 Ca 0.01 -0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.53 1kbk n ARG 387 Cb 0.11 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1kbk n ARG 387 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1kbk s TRP 388 N -2.91 2.96 0.23 -1.55 0.52 -0.72 -4.79 118.94 112.68 1kbk s TRP 388 Ca 0.09 0.85 -0.07 0.00 0.02 0.00 0.00 56.10 56.99 1kbk s TRP 388 Cb 0.16 -3.92 0.40 0.00 -1.15 0.00 0.00 33.47 28.96 1kbk s TRP 388 CO 0.82 -3.12 1.68 -0.09 0.02 0.00 0.00 176.95 176.26 1kbk h ARG 389 N 5.45 0.22 -0.13 4.98 2.43 -1.92 0.13 114.38 125.54 1kbk h ARG 389 Ca -0.45 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 1kbk h ARG 389 Cb 1.21 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1kbk h ARG 389 CO 0.82 0.15 -0.04 1.96 -1.51 0.00 0.00 179.97 181.35 1kbk h GLN 390 N 0.23 0.19 0.09 0.20 7.50 -1.82 -0.31 115.11 121.19 1kbk h GLN 390 Ca 0.38 -0.03 -0.27 0.00 0.50 0.00 0.00 58.65 59.23 1kbk h GLN 390 Cb 0.63 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 1kbk h GLN 390 CO -0.50 0.25 -1.42 0.82 -1.50 0.00 0.00 178.83 176.48 1kbk h ILE 391 N 0.19 0.97 -0.65 2.54 2.04 -1.51 -3.22 117.51 117.86 1kbk h ILE 391 Ca 0.05 -2.34 0.01 0.00 1.00 0.00 0.00 64.86 63.58 1kbk h ILE 391 Cb 0.20 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.84 1kbk h ILE 391 CO 0.01 0.64 0.42 -0.09 0.00 0.00 0.00 178.15 179.13 1kbk h ARG 392 N -0.43 0.83 0.00 2.37 1.12 -0.74 -1.12 114.38 116.41 1kbk h ARG 392 Ca -0.32 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.44 1kbk h ARG 392 Cb 1.67 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 31.44 1kbk h ARG 392 CO -0.00 0.55 -0.27 -0.91 -3.11 0.00 0.00 179.97 176.23 1kbk h ASN 393 N 0.85 0.00 1.43 -3.80 2.35 -1.21 -2.22 115.58 112.97 1kbk h ASN 393 Ca 0.25 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.88 1kbk h ASN 393 Cb -0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1kbk h ASN 393 CO -0.07 0.27 -0.58 0.24 -1.65 0.00 0.00 177.43 175.64 1kbk h MET 394 N 0.00 0.00 -0.61 0.81 2.86 -1.41 -0.76 114.93 115.82 1kbk h MET 394 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1kbk h MET 394 Cb 0.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1kbk h MET 394 CO 0.03 0.54 0.15 0.28 1.06 0.00 0.00 176.91 178.97 1kbk h VAL 395 N 0.00 1.25 -0.35 -2.22 2.07 -0.64 -1.24 116.25 115.12 1kbk h VAL 395 Ca -0.01 -0.92 -0.15 0.00 0.82 0.00 0.00 66.70 66.44 1kbk h VAL 395 Cb 1.43 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1kbk h VAL 395 CO 0.07 0.34 -0.37 0.40 0.02 0.00 0.00 177.57 178.04 1kbk h ILE 396 N 0.89 1.28 -0.65 4.57 2.04 -1.34 -2.91 117.51 121.39 1kbk h ILE 396 Ca 0.19 -1.54 0.08 0.00 1.00 0.00 0.00 64.86 64.59 1kbk h ILE 396 Cb 0.36 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 1kbk h ILE 396 CO 0.00 0.51 0.32 0.15 0.00 0.00 0.00 178.15 179.13 1kbk h PHE 397 N 0.68 0.57 -0.71 1.37 3.04 -0.69 -0.63 116.94 120.57 1kbk h PHE 397 Ca 0.06 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.01 1kbk h PHE 397 Cb 0.93 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.25 1kbk h PHE 397 CO 0.05 0.22 0.32 -0.09 -2.02 0.00 0.00 178.31 176.79 1kbk h ARG 398 N 0.57 1.03 -0.32 1.11 2.43 -1.08 -1.88 114.38 116.23 1kbk h ARG 398 Ca 0.31 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1kbk h ARG 398 Cb 0.30 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1kbk h ARG 398 CO -0.24 0.81 0.08 -0.91 -1.51 0.00 0.00 179.97 178.20 1kbk h ASN 399 N 1.01 0.49 -0.73 -3.80 2.35 -1.09 -2.10 115.58 111.70 1kbk h ASN 399 Ca 0.24 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1kbk h ASN 399 Cb 0.14 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1kbk h ASN 399 CO -0.03 0.59 0.42 0.58 -1.65 0.00 0.00 177.43 177.35 1kbk h VAL 400 N 0.36 1.21 -0.39 2.81 2.07 -0.77 -3.01 116.25 118.53 1kbk h VAL 400 Ca 0.10 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1kbk h VAL 400 Cb 0.30 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1kbk h VAL 400 CO 0.00 0.23 0.00 1.33 0.02 0.00 0.00 177.57 179.15 1kbk n VAL 401 N -4.37 0.50 -1.64 2.57 0.24 -0.74 -4.98 118.33 109.91 1kbk n VAL 401 Ca 0.08 -0.71 -0.52 0.00 -2.04 0.00 0.00 64.34 61.15 1kbk n VAL 401 Cb 0.08 0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 1kbk n VAL 401 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1kbk n ASP 402 N 1.35 2.13 0.00 -1.34 2.03 -0.80 -0.86 116.55 119.06 1kbk n ASP 402 Ca 0.19 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.60 1kbk n ASP 402 Cb 0.57 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 1kbk n ASP 402 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kbk n GLY 403 N 3.16 3.28 3.76 0.27 0.00 -1.26 -5.04 105.19 109.36 1kbk n GLY 403 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1kbk n GLY 403 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kbk s GLN 404 N -0.70 4.62 0.76 1.61 -1.52 -0.04 -5.03 119.66 119.36 1kbk s GLN 404 Ca 0.00 1.79 -0.11 0.00 -1.95 0.00 0.00 55.36 55.09 1kbk s GLN 404 Cb 0.00 -3.16 0.05 0.00 -0.22 0.00 0.00 33.01 29.68 1kbk s GLN 404 CO 0.00 0.20 1.08 -1.25 -0.25 0.00 0.00 175.29 175.07 1kbk s PRO 405 N -1.49 2.37 -0.16 2.91 0.04 -1.26 -4.60 135.00 132.81 1kbk s PRO 405 Ca 0.45 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1kbk s PRO 405 Cb -0.31 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1kbk s PRO 405 CO 0.40 -1.49 1.01 0.12 0.04 0.00 0.00 177.00 177.09 1kbk s PHE 406 N -3.03 3.44 0.32 0.56 2.19 -1.26 -1.24 117.98 118.96 1kbk s PHE 406 Ca 0.60 1.53 -0.12 0.00 0.33 0.00 0.00 56.93 59.28 1kbk s PHE 406 Cb -0.15 -3.22 0.02 0.00 -1.31 0.00 0.00 43.02 38.36 1kbk s PHE 406 CO 0.55 -0.33 0.60 -0.08 1.83 0.00 0.00 175.22 177.79 1kbk s THR 407 N 2.50 0.00 -1.48 0.12 -1.32 -0.18 -4.93 115.64 110.34 1kbk s THR 407 Ca 0.46 -1.30 -0.07 0.00 -1.21 0.00 0.00 61.69 59.58 1kbk s THR 407 Cb -0.17 -2.51 0.05 0.00 -1.51 0.00 0.00 72.50 68.37 1kbk s THR 407 CO 0.13 0.00 0.68 0.59 -2.21 0.00 0.00 174.62 173.80 1kbk n ASN 408 N -1.00 -2.11 -4.77 8.08 3.02 -1.26 0.58 115.26 117.79 1kbk n ASN 408 Ca -0.03 -0.92 -0.37 0.00 -0.03 0.00 0.00 54.58 53.22 1kbk n ASN 408 Cb 0.61 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.39 1kbk n ASN 408 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1kbk s TRP 409 N -3.62 3.14 -0.05 3.10 -0.11 -1.26 -4.16 118.94 115.98 1kbk s TRP 409 Ca 0.31 1.60 -0.08 0.00 1.22 0.00 0.00 56.10 59.14 1kbk s TRP 409 Cb -0.16 -3.26 0.02 0.00 -1.50 0.00 0.00 33.47 28.56 1kbk s TRP 409 CO 0.87 -1.01 0.20 -0.47 -4.62 0.00 0.00 176.95 171.92 1kbk s TYR 410 N -1.54 -0.14 0.03 5.86 6.14 0.93 -4.96 117.35 123.67 1kbk s TYR 410 Ca 0.58 0.32 -0.22 0.00 0.64 0.00 0.00 57.07 58.39 1kbk s TYR 410 Cb -0.26 0.04 0.05 0.00 0.42 0.00 0.00 41.96 42.21 1kbk s TYR 410 CO 0.33 -0.20 0.49 0.16 0.64 0.00 0.00 175.55 176.96 1kbk s ASP 411 N -0.54 -0.40 -0.19 4.32 1.47 -1.26 -0.37 116.67 119.70 1kbk s ASP 411 Ca -0.06 0.18 0.16 0.00 1.18 0.00 0.00 52.55 54.01 1kbk s ASP 411 Cb -0.04 0.46 0.79 0.00 -0.34 0.00 0.00 42.92 43.79 1kbk s ASP 411 CO 0.01 -0.67 1.71 -0.46 0.68 0.00 0.00 175.17 176.44 1kbk n ASN 412 N 0.57 5.40 0.00 2.11 6.94 -0.37 -4.89 115.26 125.01 1kbk n ASN 412 Ca -0.19 -2.76 0.00 0.00 -0.02 0.00 0.00 54.58 51.62 1kbk n ASN 412 Cb 0.59 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1kbk n ASN 412 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kbk n GLY 413 N 0.81 0.81 0.00 4.83 0.00 -1.26 -4.86 105.19 105.52 1kbk n GLY 413 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1kbk n GLY 413 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kbk n SER 414 N -0.02 0.00 -0.56 1.61 2.88 -1.26 -4.91 113.62 111.36 1kbk n SER 414 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1kbk n SER 414 Cb 0.01 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.61 1kbk n SER 414 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1kbk n ASN 415 N 0.00 1.64 -4.12 -3.46 4.13 -1.26 -2.02 115.26 110.16 1kbk n ASN 415 Ca 0.00 -3.21 -0.34 0.00 1.68 0.00 0.00 54.58 52.71 1kbk n ASN 415 Cb 0.00 -0.44 -0.14 0.00 -1.54 0.00 0.00 39.78 37.66 1kbk n ASN 415 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1kbk s GLN 416 N -2.36 2.24 0.14 3.52 -0.21 -1.26 -0.71 119.66 121.02 1kbk s GLN 416 Ca 0.32 -1.40 0.02 0.00 0.02 0.00 0.00 55.36 54.33 1kbk s GLN 416 Cb 0.31 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 1kbk s GLN 416 CO -0.05 -0.67 -0.05 0.14 -2.12 0.00 0.00 175.29 172.54 1kbk s VAL 417 N 1.16 0.81 0.07 1.09 -7.23 -0.90 -1.24 120.40 114.17 1kbk s VAL 417 Ca -0.04 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 57.92 1kbk s VAL 417 Cb -0.20 -1.87 0.06 0.00 0.56 0.00 0.00 36.38 34.93 1kbk s VAL 417 CO -0.03 -0.71 0.54 0.00 -0.31 0.00 0.00 175.10 174.59 1kbk s ALA 418 N -3.56 -1.39 0.09 1.32 0.00 0.50 -0.20 121.76 118.54 1kbk s ALA 418 Ca 0.17 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.45 1kbk s ALA 418 Cb 0.05 0.49 0.08 0.00 0.00 0.00 0.00 23.12 23.74 1kbk s ALA 418 CO -0.01 -0.57 0.79 -0.59 0.00 0.00 0.00 175.76 175.39 1kbk s PHE 419 N -2.76 -0.37 0.34 0.00 -0.12 -0.90 -0.05 117.98 114.13 1kbk s PHE 419 Ca -0.04 0.16 0.05 0.00 -0.05 0.00 0.00 56.93 57.05 1kbk s PHE 419 Cb -0.00 0.57 -0.07 0.00 -0.63 0.00 0.00 43.02 42.89 1kbk s PHE 419 CO -0.04 -0.74 0.03 0.20 -0.05 0.00 0.00 175.22 174.62 1kbk s GLY 420 N -2.67 2.15 -0.36 1.99 0.00 0.20 -1.83 107.32 106.80 1kbk s GLY 420 Ca 0.05 -2.10 0.04 0.00 0.00 0.00 0.00 44.72 42.71 1kbk s GLY 420 CO -0.07 -1.89 0.08 0.50 0.00 0.00 0.00 173.10 171.71 1kbk s ARG 421 N -3.82 1.53 4.30 2.90 1.81 -0.31 -1.02 118.95 124.34 1kbk s ARG 421 Ca 0.35 -1.96 0.00 0.00 -1.72 0.00 0.00 55.73 52.40 1kbk s ARG 421 Cb 0.08 -3.21 0.00 0.00 -0.45 0.00 0.00 34.95 31.38 1kbk s ARG 421 CO 0.16 -0.96 0.00 0.41 -0.68 0.00 0.00 175.30 174.23 1kbk n GLY 422 N 4.12 2.71 1.03 -3.53 0.00 -0.37 -1.72 105.19 107.43 1kbk n GLY 422 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 1kbk n GLY 422 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kbk n ASN 423 N 1.39 2.76 -0.02 1.61 6.94 -1.26 -4.57 115.26 122.12 1kbk n ASN 423 Ca 0.00 -3.57 0.02 0.00 -0.02 0.00 0.00 54.58 51.01 1kbk n ASN 423 Cb 0.00 -0.60 -0.08 0.00 -2.36 0.00 0.00 39.78 36.73 1kbk n ASN 423 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1kbk n ARG 424 N -1.01 0.92 -3.54 -3.83 5.12 -0.70 -4.60 116.66 109.02 1kbk n ARG 424 Ca 0.29 -0.07 -0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1kbk n ARG 424 Cb 0.97 -1.26 -0.03 0.00 -1.16 0.00 0.00 32.46 30.99 1kbk n ARG 424 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1kbk s GLY 425 N -3.55 -0.44 -0.20 -0.13 0.00 -1.06 0.06 107.32 101.99 1kbk s GLY 425 Ca -0.04 0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.75 1kbk s GLY 425 CO 0.45 -0.01 0.52 -0.12 0.00 0.00 0.00 173.10 173.94 1kbk s PHE 426 N -3.79 -0.63 0.02 1.90 5.36 -0.08 -1.16 117.98 119.59 1kbk s PHE 426 Ca 0.03 1.46 0.02 0.00 -0.96 0.00 0.00 56.93 57.49 1kbk s PHE 426 Cb -0.01 0.26 -0.01 0.00 -0.34 0.00 0.00 43.02 42.92 1kbk s PHE 426 CO -0.10 -0.32 -0.08 0.96 -1.46 0.00 0.00 175.22 174.22 1kbk s ILE 427 N 0.66 0.60 -0.03 3.12 -0.00 -0.76 -1.37 121.20 123.42 1kbk s ILE 427 Ca -0.03 -0.67 0.04 0.00 -0.00 0.00 0.00 60.65 59.98 1kbk s ILE 427 Cb -0.05 -0.58 -0.00 0.00 -0.00 0.00 0.00 42.46 41.84 1kbk s ILE 427 CO -0.04 -0.07 -0.13 -0.69 -0.00 0.00 0.00 174.94 174.00 1kbk s VAL 428 N -0.70 1.09 0.04 8.37 1.01 0.46 -2.12 120.40 128.54 1kbk s VAL 428 Ca -0.02 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1kbk s VAL 428 Cb -0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1kbk s VAL 428 CO 0.00 0.32 -0.21 -0.36 0.00 0.00 0.00 175.10 174.85 1kbk s PHE 429 N 0.02 1.86 -0.29 5.22 0.40 0.73 -1.23 117.98 124.68 1kbk s PHE 429 Ca -0.01 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1kbk s PHE 429 Cb -0.09 -1.12 0.09 0.00 0.51 0.00 0.00 43.02 42.42 1kbk s PHE 429 CO 0.01 0.08 0.09 1.21 0.70 0.00 0.00 175.22 177.30 1kbk s ASN 430 N -1.09 3.88 -0.13 1.36 2.47 -0.32 -2.12 114.94 119.00 1kbk s ASN 430 Ca 0.08 -1.52 0.15 0.00 0.42 0.00 0.00 52.86 51.99 1kbk s ASN 430 Cb -0.09 -0.82 0.37 0.00 -1.45 0.00 0.00 41.25 39.27 1kbk s ASN 430 CO 0.01 -0.40 1.27 -3.20 -3.72 0.00 0.00 177.10 171.07 1kbk n ASN 431 N 4.89 3.08 -4.95 -4.21 4.05 0.11 -4.78 115.26 113.45 1kbk n ASN 431 Ca -0.03 -2.83 -0.23 0.00 0.45 0.00 0.00 54.58 51.94 1kbk n ASN 431 Cb 0.43 -0.42 0.03 0.00 1.23 0.00 0.00 39.78 41.04 1kbk n ASN 431 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1kbk s ASP 432 N -2.06 5.54 -0.15 1.20 1.01 -1.25 -4.84 116.67 116.12 1kbk s ASP 432 Ca 0.33 0.25 0.02 0.00 0.71 0.00 0.00 52.55 53.86 1kbk s ASP 432 Cb 0.26 -1.30 0.25 0.00 1.01 0.00 0.00 42.92 43.14 1kbk s ASP 432 CO 0.07 -0.96 1.27 0.47 0.21 0.00 0.00 175.17 176.23 1kbk n ASP 433 N -2.29 3.19 -3.84 0.27 10.43 -1.26 -4.79 116.55 118.25 1kbk n ASP 433 Ca 0.04 -2.54 -0.09 0.00 2.57 0.00 0.00 54.79 54.77 1kbk n ASP 433 Cb 0.59 -0.61 -0.06 0.00 1.84 0.00 0.00 41.12 42.87 1kbk n ASP 433 CO 0.00 0.00 0.00 -1.66 -1.07 0.00 0.00 177.20 174.47 1kbk s TRP 434 N -1.23 0.14 0.87 1.24 -2.14 -1.26 -4.98 118.94 111.58 1kbk s TRP 434 Ca 0.20 -0.51 -0.11 0.00 2.66 0.00 0.00 56.10 58.34 1kbk s TRP 434 Cb 0.17 0.07 0.12 0.00 -3.10 0.00 0.00 33.47 30.72 1kbk s TRP 434 CO 0.04 -0.69 1.11 -1.12 -2.66 0.00 0.00 176.95 173.63 1kbk s SER 435 N -2.89 3.47 -0.11 -2.66 0.01 -1.26 -4.27 113.70 105.99 1kbk s SER 435 Ca 0.10 1.91 0.01 0.00 1.31 0.00 0.00 55.95 59.28 1kbk s SER 435 Cb 0.03 -2.48 0.02 0.00 0.21 0.00 0.00 66.02 63.80 1kbk s SER 435 CO -0.06 -2.71 -0.12 0.12 0.41 0.00 0.00 173.24 170.88 1kbk s PHE 436 N -2.77 1.72 -0.25 2.43 2.19 0.79 -4.94 117.98 117.15 1kbk s PHE 436 Ca 0.64 -0.82 -0.02 0.00 0.33 0.00 0.00 56.93 57.06 1kbk s PHE 436 Cb -0.20 -1.30 0.12 0.00 -1.31 0.00 0.00 43.02 40.33 1kbk s PHE 436 CO 0.58 -0.47 0.29 0.45 1.83 0.00 0.00 175.22 177.90 1kbk s SER 437 N 1.20 1.19 -0.04 6.13 0.15 -1.25 0.57 113.70 121.65 1kbk s SER 437 Ca -0.03 -0.31 -0.30 0.00 0.70 0.00 0.00 55.95 56.00 1kbk s SER 437 Cb -0.14 0.62 0.07 0.00 -1.71 0.00 0.00 66.02 64.86 1kbk s SER 437 CO -0.04 -0.34 0.68 -0.22 1.20 0.00 0.00 173.24 174.52 1kbk s LEU 438 N 2.40 -0.65 -0.22 3.45 2.96 -0.61 -5.00 118.68 121.00 1kbk s LEU 438 Ca 0.09 0.66 -0.17 0.00 -0.22 0.00 0.00 54.13 54.50 1kbk s LEU 438 Cb -0.15 2.53 -0.03 0.00 0.50 0.00 0.00 46.19 49.04 1kbk s LEU 438 CO -0.21 -0.63 0.45 -0.89 -1.32 0.00 0.00 176.35 173.75 1kbk s THR 439 N -1.38 5.14 0.22 3.68 2.01 -1.26 -1.66 115.64 122.40 1kbk s THR 439 Ca -0.10 0.78 0.11 0.00 0.31 0.00 0.00 61.69 62.80 1kbk s THR 439 Cb -0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1kbk s THR 439 CO 0.08 0.18 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.22 1kbk s LEU 440 N 1.73 2.49 -0.21 4.42 1.43 -0.11 -4.91 118.68 123.53 1kbk s LEU 440 Ca 0.20 -0.93 -0.25 0.00 -1.03 0.00 0.00 54.13 52.12 1kbk s LEU 440 Cb -0.15 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 1kbk s LEU 440 CO 0.09 0.07 0.85 -1.58 0.23 0.00 0.00 176.35 176.01 1kbk s GLN 441 N -3.01 4.24 -0.02 1.70 2.00 -1.26 -1.32 119.66 121.99 1kbk s GLN 441 Ca 0.24 1.01 0.20 0.00 -2.00 0.00 0.00 55.36 54.80 1kbk s GLN 441 Cb -0.06 -3.61 -0.30 0.00 0.80 0.00 0.00 33.01 29.83 1kbk s GLN 441 CO 0.11 -0.45 0.48 0.25 -0.50 0.00 0.00 175.29 175.18 1kbk n THR 442 N 5.04 0.00 -0.96 -0.34 -2.24 -0.40 -4.93 114.28 110.45 1kbk n THR 442 Ca 0.06 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1kbk n THR 442 Cb 0.48 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1kbk n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kbk n GLY 443 N 1.39 0.40 3.93 3.38 0.00 -1.24 -4.84 105.19 108.21 1kbk n GLY 443 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1kbk n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kbk s LEU 444 N 0.00 4.21 0.38 0.99 1.43 -1.26 -4.31 118.68 120.12 1kbk s LEU 444 Ca 0.00 0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 53.25 1kbk s LEU 444 Cb 0.00 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.93 1kbk s LEU 444 CO 0.00 -0.07 1.24 -2.84 0.23 0.00 0.00 176.35 174.92 1kbk s PRO 445 N -3.40 4.12 0.71 1.29 0.02 -1.26 -4.39 135.00 132.07 1kbk s PRO 445 Ca 0.39 2.03 -0.17 0.00 0.02 0.00 0.00 61.00 63.28 1kbk s PRO 445 Cb -0.11 -2.82 -0.08 0.00 0.02 0.00 0.00 34.50 31.52 1kbk s PRO 445 CO 0.29 -0.33 0.23 0.00 -0.33 0.00 0.00 177.00 176.86 1kbk n ALA 446 N 0.31 -2.33 0.00 -1.55 0.00 -1.26 -4.87 120.51 110.81 1kbk n ALA 446 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1kbk n ALA 446 Cb 0.44 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1kbk n ALA 446 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kbk n GLY 447 N 2.06 0.20 3.47 0.00 0.00 -0.76 -4.95 105.19 105.20 1kbk n GLY 447 Ca 0.08 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 1kbk n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kbk s THR 448 N -1.29 4.23 0.04 2.61 2.01 -1.26 -0.90 115.64 121.07 1kbk s THR 448 Ca 0.00 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1kbk s THR 448 Cb 0.00 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1kbk s THR 448 CO 0.00 0.39 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.87 1kbk s TYR 449 N 1.19 2.67 0.00 4.92 1.51 0.10 -0.87 117.35 126.86 1kbk s TYR 449 Ca 0.04 -0.19 -0.20 0.00 -1.01 0.00 0.00 57.07 55.71 1kbk s TYR 449 Cb -0.14 -1.50 -0.06 0.00 -0.11 0.00 0.00 41.96 40.15 1kbk s TYR 449 CO 0.02 0.31 0.58 0.00 -1.11 0.00 0.00 175.55 175.36 1kbk s ASP 451 N -0.32 7.19 0.00 0.00 2.15 -0.36 -4.60 116.67 120.73 1kbk s ASP 451 Ca 0.30 1.58 0.18 0.00 0.43 0.00 0.00 52.55 55.04 1kbk s ASP 451 Cb -0.18 -2.56 0.65 0.00 -0.30 0.00 0.00 42.92 40.54 1kbk s ASP 451 CO 0.17 -0.50 1.48 1.33 -0.17 0.00 0.00 175.17 177.48 1kbk n VAL 452 N 4.63 0.25 -0.10 1.11 0.24 -0.35 -2.71 118.33 121.40 1kbk n VAL 452 Ca 0.09 -0.34 -0.24 0.00 -2.04 0.00 0.00 64.34 61.82 1kbk n VAL 452 Cb 0.48 0.27 -0.12 0.00 -1.47 0.00 0.00 33.84 33.01 1kbk n VAL 452 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1kbk n ILE 453 N 0.25 1.57 0.44 1.34 2.08 -1.26 -4.39 119.36 119.40 1kbk n ILE 453 Ca 0.14 -0.35 0.12 0.00 0.56 0.00 0.00 62.75 63.23 1kbk n ILE 453 Cb 0.29 -1.83 0.22 0.00 -0.75 0.00 0.00 39.64 37.57 1kbk n ILE 453 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1kbk h SER 454 N -0.64 0.00 0.00 4.38 4.64 -1.87 -3.40 113.55 116.66 1kbk h SER 454 Ca -0.52 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1kbk h SER 454 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1kbk h SER 454 CO -0.21 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 1kbk n GLY 455 N 1.25 2.73 3.20 -0.77 0.00 -1.10 -4.45 105.19 106.05 1kbk n GLY 455 Ca 0.04 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1kbk n GLY 455 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kbk s ASP 456 N 2.00 0.64 -0.25 1.61 1.11 -1.26 -4.22 116.67 116.31 1kbk s ASP 456 Ca 0.00 -1.24 -0.15 0.00 0.18 0.00 0.00 52.55 51.35 1kbk s ASP 456 Cb 0.00 0.24 -0.04 0.00 1.07 0.00 0.00 42.92 44.19 1kbk s ASP 456 CO 0.00 -0.70 0.36 -0.75 1.18 0.00 0.00 175.17 175.27 1kbk s LYS 457 N -4.02 4.07 -0.42 8.23 2.20 -1.26 -1.79 119.74 126.75 1kbk s LYS 457 Ca 0.27 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 1kbk s LYS 457 Cb 0.07 -3.61 0.13 0.00 -1.51 0.00 0.00 37.83 32.91 1kbk s LYS 457 CO 0.05 -0.17 0.21 0.42 -0.36 0.00 0.00 175.35 175.50 1kbk s ILE 458 N 1.75 1.28 0.00 5.43 1.01 0.89 -4.99 121.20 126.56 1kbk s ILE 458 Ca 0.16 -2.35 0.00 0.00 0.00 0.00 0.00 60.65 58.46 1kbk s ILE 458 Cb -0.15 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.41 1kbk s ILE 458 CO 0.09 -0.87 0.00 -0.46 0.00 0.00 0.00 174.94 173.70 1kbk n ASN 459 N 3.76 -5.68 0.00 3.58 6.94 -1.26 -2.99 115.26 119.62 1kbk n ASN 459 Ca 0.07 0.42 0.00 0.00 -0.02 0.00 0.00 54.58 55.05 1kbk n ASN 459 Cb 0.36 -1.32 0.00 0.00 -2.36 0.00 0.00 39.78 36.46 1kbk n ASN 459 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kbk n GLY 460 N 1.36 1.81 3.30 4.83 0.00 -1.26 -4.99 105.19 110.25 1kbk n GLY 460 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1kbk n GLY 460 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kbk s ASN 461 N -3.35 0.10 -0.04 1.61 0.01 -1.16 -5.04 114.94 107.07 1kbk s ASN 461 Ca 0.00 -0.96 0.05 0.00 -0.71 0.00 0.00 52.86 51.24 1kbk s ASN 461 Cb 0.00 0.41 -0.02 0.00 0.41 0.00 0.00 41.25 42.04 1kbk s ASN 461 CO 0.00 -0.86 -0.18 0.00 -1.51 0.00 0.00 177.10 174.55 1kbk n THR 463 N 2.33 0.00 -1.57 0.00 -2.24 -0.74 -4.94 114.28 107.13 1kbk n THR 463 Ca -0.17 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1kbk n THR 463 Cb 0.52 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1kbk n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kbk n GLY 464 N 1.48 5.20 3.75 3.38 0.00 -1.26 -4.84 105.19 112.90 1kbk n GLY 464 Ca 0.06 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 1kbk n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kbk s ILE 465 N 2.10 2.23 -0.04 -0.61 1.01 -1.26 -4.87 121.20 119.76 1kbk s ILE 465 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.90 1kbk s ILE 465 Cb 0.00 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1kbk s ILE 465 CO 0.00 0.00 -0.25 -0.54 0.00 0.00 0.00 174.94 174.16 1kbk s LYS 466 N -2.82 2.21 -0.07 2.79 1.02 -1.26 -1.22 119.74 120.38 1kbk s LYS 466 Ca 0.69 -0.88 0.04 0.00 0.02 0.00 0.00 55.97 55.84 1kbk s LYS 466 Cb -0.39 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 1kbk s LYS 466 CO 0.47 0.46 -0.18 0.42 -0.92 0.00 0.00 175.35 175.60 1kbk s ILE 467 N -0.39 2.70 -0.25 2.17 -1.09 0.57 -4.96 121.20 119.94 1kbk s ILE 467 Ca 0.04 -0.84 -0.06 0.00 -2.23 0.00 0.00 60.65 57.57 1kbk s ILE 467 Cb -0.11 -2.05 -0.01 0.00 -1.58 0.00 0.00 42.46 38.71 1kbk s ILE 467 CO 0.01 0.57 0.03 -0.31 -1.23 0.00 0.00 174.94 174.01 1kbk s TYR 468 N -0.32 3.06 -0.19 3.97 2.02 -1.26 0.01 117.35 124.64 1kbk s TYR 468 Ca 0.02 -0.82 -0.08 0.00 -0.37 0.00 0.00 57.07 55.82 1kbk s TYR 468 Cb -0.13 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 1kbk s TYR 468 CO 0.02 -0.51 0.09 0.08 -1.57 0.00 0.00 175.55 173.67 1kbk s VAL 469 N 1.52 5.02 0.84 0.71 1.01 -0.08 -4.24 120.40 125.18 1kbk s VAL 469 Ca 0.05 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1kbk s VAL 469 Cb -0.15 -3.28 0.15 0.00 0.00 0.00 0.00 36.38 33.10 1kbk s VAL 469 CO 0.00 0.45 1.17 -0.94 0.00 0.00 0.00 175.10 175.78 1kbk s SER 470 N 0.40 3.85 0.46 3.32 1.04 0.02 -1.83 113.70 120.95 1kbk s SER 470 Ca 0.05 0.17 0.15 0.00 0.48 0.00 0.00 55.95 56.80 1kbk s SER 470 Cb -0.12 -0.44 1.10 0.00 0.10 0.00 0.00 66.02 66.66 1kbk s SER 470 CO -0.00 -2.24 2.00 0.44 0.98 0.00 0.00 173.24 174.42 1kbk h ASP 471 N -1.12 0.28 -0.16 7.02 3.45 -1.95 -0.35 116.42 123.59 1kbk h ASP 471 Ca -0.42 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.04 1kbk h ASP 471 Cb 1.26 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 1kbk h ASP 471 CO 0.45 0.17 0.00 -0.90 -1.57 0.00 0.00 179.24 177.39 1kbk n ASP 472 N -4.46 1.23 0.00 6.45 5.68 -1.26 -4.78 116.55 119.41 1kbk n ASP 472 Ca 0.08 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 1kbk n ASP 472 Cb 0.37 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1kbk n ASP 472 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kbk n GLY 473 N 0.99 1.17 3.85 6.12 0.00 -0.14 -4.86 105.19 112.31 1kbk n GLY 473 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1kbk n GLY 473 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kbk s LYS 474 N -0.30 3.94 -0.02 1.61 1.02 -1.26 -1.27 119.74 123.45 1kbk s LYS 474 Ca 0.00 0.83 -0.21 0.00 0.02 0.00 0.00 55.97 56.61 1kbk s LYS 474 Cb 0.00 -2.22 0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1kbk s LYS 474 CO 0.00 -0.16 0.46 0.00 -0.92 0.00 0.00 175.35 174.73 1kbk s ALA 475 N -2.48 -1.18 -0.15 5.17 0.00 -0.43 -0.80 121.76 121.88 1kbk s ALA 475 Ca 0.57 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 1kbk s ALA 475 Cb -0.10 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1kbk s ALA 475 CO 0.29 -0.31 0.23 -1.58 0.00 0.00 0.00 175.76 174.38 1kbk s HIS 476 N -1.34 3.50 -0.05 0.00 2.46 -1.26 -0.93 115.29 117.67 1kbk s HIS 476 Ca -0.12 0.54 0.04 0.00 0.47 0.00 0.00 55.06 56.00 1kbk s HIS 476 Cb -0.03 -2.20 -0.00 0.00 -0.13 0.00 0.00 32.58 30.21 1kbk s HIS 476 CO 0.06 0.39 -0.18 -0.06 -2.47 0.00 0.00 174.74 172.48 1kbk s PHE 477 N -0.00 1.82 -0.17 3.88 0.40 -0.66 -4.79 117.98 118.45 1kbk s PHE 477 Ca 0.14 -0.54 -0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1kbk s PHE 477 Cb -0.13 -1.23 0.04 0.00 0.51 0.00 0.00 43.02 42.22 1kbk s PHE 477 CO 0.03 -0.19 -0.05 -1.12 0.70 0.00 0.00 175.22 174.59 1kbk s SER 478 N 0.06 2.88 -0.13 1.36 0.01 -1.26 -1.57 113.70 115.05 1kbk s SER 478 Ca -0.05 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 56.52 1kbk s SER 478 Cb -0.12 -0.92 0.03 0.00 0.21 0.00 0.00 66.02 65.22 1kbk s SER 478 CO 0.03 -0.19 -0.10 -0.63 0.41 0.00 0.00 173.24 172.76 1kbk s ILE 479 N 1.63 1.24 0.24 1.44 1.01 0.19 -4.98 121.20 121.97 1kbk s ILE 479 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 1kbk s ILE 479 Cb -0.15 -1.23 -0.09 0.00 0.01 0.00 0.00 42.46 41.00 1kbk s ILE 479 CO -0.08 0.37 0.81 -0.55 0.00 0.00 0.00 174.94 175.49 1kbk s SER 480 N 1.62 7.22 0.00 3.58 0.15 -1.26 -0.15 113.70 124.86 1kbk s SER 480 Ca 0.04 1.60 0.12 0.00 0.70 0.00 0.00 55.95 58.41 1kbk s SER 480 Cb -0.13 -2.49 0.62 0.00 -1.71 0.00 0.00 66.02 62.31 1kbk s SER 480 CO -0.09 0.03 1.24 -0.46 1.20 0.00 0.00 173.24 175.16 1kbk n ASN 481 N 0.84 0.00 -0.91 5.45 6.94 -1.26 -1.08 115.26 125.23 1kbk n ASN 481 Ca -0.02 -0.02 0.10 0.00 -0.02 0.00 0.00 54.58 54.62 1kbk n ASN 481 Cb 0.50 -0.20 0.14 0.00 -2.36 0.00 0.00 39.78 37.86 1kbk n ASN 481 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1kbk n SER 482 N -1.20 2.98 -4.75 0.53 7.64 -1.26 -4.99 113.62 112.57 1kbk n SER 482 Ca 0.06 -1.88 -0.38 0.00 1.01 0.00 0.00 58.87 57.68 1kbk n SER 482 Cb 0.08 -0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.18 1kbk n SER 482 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kbk s ALA 483 N -1.44 2.74 0.15 -0.43 0.00 -0.25 -4.90 121.76 117.63 1kbk s ALA 483 Ca 0.29 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.34 1kbk s ALA 483 Cb 0.18 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1kbk s ALA 483 CO 0.26 -1.32 1.78 1.49 0.00 0.00 0.00 175.76 177.96 1kbk h GLU 484 N 1.33 0.36 -4.60 0.00 4.81 -1.94 -3.35 114.58 111.18 1kbk h GLU 484 Ca -0.51 -0.02 -0.65 0.00 -0.13 0.00 0.00 59.36 58.06 1kbk h GLU 484 Cb 1.30 -0.08 -0.38 0.00 0.63 0.00 0.00 28.75 30.22 1kbk h GLU 484 CO 0.57 0.24 -0.77 -0.51 -0.73 0.00 0.00 179.01 177.80 1kbk s ASP 485 N -5.43 4.34 0.00 1.04 1.01 -1.26 -4.90 116.67 111.47 1kbk s ASP 485 Ca -0.13 -1.54 0.00 0.00 0.71 0.00 0.00 52.55 51.59 1kbk s ASP 485 Cb 0.11 -1.43 0.00 0.00 1.01 0.00 0.00 42.92 42.61 1kbk s ASP 485 CO 0.71 -0.26 1.56 -0.81 0.21 0.00 0.00 175.17 176.58 1kbk n PRO 486 N 4.48 0.82 -3.66 8.23 -0.04 -1.26 -4.79 135.00 138.78 1kbk n PRO 486 Ca -0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 1kbk n PRO 486 Cb 0.43 -1.09 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 1kbk n PRO 486 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1kbk s PHE 487 N 0.34 -0.37 -0.01 0.54 -0.71 -1.26 -1.17 117.98 115.34 1kbk s PHE 487 Ca 0.00 0.59 0.06 0.00 -1.04 0.00 0.00 56.93 56.54 1kbk s PHE 487 Cb 0.00 0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 42.02 1kbk s PHE 487 CO 0.00 -0.49 -0.18 0.42 -1.34 0.00 0.00 175.22 173.62 1kbk s ILE 488 N -1.40 1.46 -0.02 -4.49 1.01 -0.37 -4.80 121.20 112.60 1kbk s ILE 488 Ca -0.12 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 1kbk s ILE 488 Cb -0.03 -1.22 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1kbk s ILE 488 CO 0.06 0.38 0.04 0.00 0.00 0.00 0.00 174.94 175.41 1kbk s ALA 489 N -0.48 0.02 0.03 9.38 0.00 -1.26 -0.40 121.76 129.05 1kbk s ALA 489 Ca 0.07 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1kbk s ALA 489 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1kbk s ALA 489 CO -0.00 -0.09 -0.08 0.96 0.00 0.00 0.00 175.76 176.55 1kbk s ILE 490 N 0.86 0.53 0.26 0.00 -4.36 -0.47 -1.21 121.20 116.81 1kbk s ILE 490 Ca -0.07 -0.94 -0.08 0.00 -0.26 0.00 0.00 60.65 59.30 1kbk s ILE 490 Cb -0.10 -0.58 -0.01 0.00 1.25 0.00 0.00 42.46 43.02 1kbk s ILE 490 CO -0.03 -0.29 0.40 -1.38 0.24 0.00 0.00 174.94 173.89 1kbk s HIS 491 N -1.16 0.70 0.32 1.37 -3.43 -1.26 -0.91 115.29 110.92 1kbk s HIS 491 Ca -0.08 -1.00 0.09 0.00 -0.80 0.00 0.00 55.06 53.27 1kbk s HIS 491 Cb -0.09 -0.04 0.92 0.00 -1.43 0.00 0.00 32.58 31.95 1kbk s HIS 491 CO 0.00 -0.95 1.64 0.00 -2.00 0.00 0.00 174.74 173.43 1kbk h ALA 492 N 2.30 1.63 -0.00 -1.38 0.00 -0.69 0.12 119.26 121.24 1kbk h ALA 492 Ca -0.29 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1kbk h ALA 492 Cb 1.25 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1kbk h ALA 492 CO 0.40 -0.56 -0.03 0.39 0.00 0.00 0.00 179.25 179.46 1kbk n GLU 493 N -5.17 0.77 -0.31 0.00 -0.58 -1.26 -3.19 120.64 110.90 1kbk n GLU 493 Ca 0.27 -0.12 0.09 0.00 -0.42 0.00 0.00 57.16 56.99 1kbk n GLU 493 Cb 0.86 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 30.50 1kbk n GLU 493 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1kbk n SER 494 N -1.01 3.60 -4.75 1.62 3.41 0.03 -4.96 113.62 111.56 1kbk n SER 494 Ca 0.18 -2.03 -0.40 0.00 -0.26 0.00 0.00 58.87 56.36 1kbk n SER 494 Cb 0.21 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 1kbk n SER 494 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1kbk s LYS 495 N -1.06 4.81 0.00 4.33 2.20 -1.19 -0.90 119.74 127.92 1kbk s LYS 495 Ca 0.39 1.55 0.31 0.00 -0.36 0.00 0.00 55.97 57.86 1kbk s LYS 495 Cb 0.21 -3.25 1.76 0.00 -1.51 0.00 0.00 37.83 35.04 1kbk s LYS 495 CO 0.26 0.45 2.14 1.28 -0.36 0.00 0.00 175.35 179.13