#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjk s LYS 2 N 0.00 3.83 0.22 2.12 -0.14 -1.26 -2.71 119.74 121.80 1xjk s LYS 2 Ca 0.00 1.91 -0.08 0.00 -1.36 0.00 0.00 55.97 56.44 1xjk s LYS 2 Cb 0.00 -2.54 0.32 0.00 -1.68 0.00 0.00 37.83 33.93 1xjk s LYS 2 CO 0.00 -0.53 1.73 1.25 -0.76 0.00 0.00 175.35 177.04 1xjk h LEU 3 N 2.29 0.19 -1.56 3.17 6.46 -1.88 0.11 115.31 124.09 1xjk h LEU 3 Ca -0.49 0.09 0.11 0.00 -0.12 0.00 0.00 57.88 57.47 1xjk h LEU 3 Cb 1.25 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.22 1xjk h LEU 3 CO 0.61 0.10 0.45 0.77 -0.62 0.00 0.00 178.44 179.75 1xjk h SER 4 N 0.38 0.44 0.91 1.25 4.64 -1.97 1.21 113.55 120.40 1xjk h SER 4 Ca 0.33 0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.44 1xjk h SER 4 Cb 0.46 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1xjk h SER 4 CO -0.35 0.25 -1.07 0.44 -0.87 0.00 0.00 176.83 175.23 1xjk h ASP 5 N 0.48 0.10 -0.02 4.97 3.32 -1.35 -2.55 116.42 121.37 1xjk h ASP 5 Ca 0.32 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1xjk h ASP 5 Cb 0.60 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1xjk h ASP 5 CO -0.10 1.08 0.01 0.25 -1.72 0.00 0.00 179.24 178.76 1xjk h LEU 6 N 0.02 0.02 -0.71 1.55 5.85 0.10 -2.61 115.31 119.53 1xjk h LEU 6 Ca -0.04 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.70 1xjk h LEU 6 Cb 1.82 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.75 1xjk h LEU 6 CO 0.15 0.12 0.27 0.40 -0.34 0.00 0.00 178.44 179.04 1xjk h ILE 7 N -0.08 0.67 -0.49 4.05 2.04 0.14 -0.52 117.51 123.32 1xjk h ILE 7 Ca 0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1xjk h ILE 7 Cb 0.10 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1xjk h ILE 7 CO -0.00 0.08 0.32 0.28 0.00 0.00 0.00 178.15 178.82 1xjk h SER 8 N 0.42 0.57 -0.07 1.72 0.02 -1.37 2.02 113.55 116.84 1xjk h SER 8 Ca 0.39 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 1xjk h SER 8 Cb 0.57 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1xjk h SER 8 CO -0.39 0.42 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.61 1xjk h ARG 9 N 0.67 0.25 0.00 3.45 2.43 -0.71 -3.36 114.38 117.10 1xjk h ARG 9 Ca 0.18 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.11 1xjk h ARG 9 Cb -0.07 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1xjk h ARG 9 CO -0.04 0.29 -1.77 0.91 -1.51 0.00 0.00 179.97 177.85 1xjk n TRP 10 N -4.38 0.00 -0.45 2.20 7.02 -0.19 -4.68 117.44 116.96 1xjk n TRP 10 Ca -0.00 0.00 0.37 0.00 -1.02 0.00 0.00 57.50 56.85 1xjk n TRP 10 Cb 0.18 -0.55 0.68 0.00 -2.42 0.00 0.00 31.31 29.20 1xjk n TRP 10 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 1xjk h ILE 11 N 0.00 0.21 -0.45 -0.99 2.10 0.30 -0.82 117.51 117.86 1xjk h ILE 11 Ca -0.31 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1xjk h ILE 11 Cb 1.66 0.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 1xjk h ILE 11 CO 0.01 0.02 0.00 0.47 -1.08 0.00 0.00 178.15 177.57 1xjk n ASP 12 N -4.46 3.22 -4.61 2.19 8.00 -1.26 -4.54 116.55 115.09 1xjk n ASP 12 Ca 0.35 -1.98 -0.43 0.00 0.71 0.00 0.00 54.79 53.44 1xjk n ASP 12 Cb 1.42 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 42.19 1xjk n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xjk s VAL 13 N -1.02 3.96 0.24 2.53 1.01 -0.32 -4.98 120.40 121.83 1xjk s VAL 13 Ca 0.31 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 1xjk s VAL 13 Cb 0.16 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1xjk s VAL 13 CO 0.22 -0.67 1.43 -0.70 0.00 0.00 0.00 175.10 175.37 1xjk s GLU 14 N 4.73 4.27 0.22 2.72 2.12 -1.26 -4.96 118.70 126.55 1xjk s GLU 14 Ca 0.60 2.29 -0.31 0.00 0.36 0.00 0.00 54.97 57.91 1xjk s GLU 14 Cb -0.15 -3.12 -0.15 0.00 0.26 0.00 0.00 34.13 30.98 1xjk s GLU 14 CO 0.30 -0.41 1.20 -2.30 -0.54 0.00 0.00 175.26 173.50 1xjk n PRO 15 N 2.38 1.45 -0.57 4.30 -0.02 -1.26 -4.95 135.00 136.33 1xjk n PRO 15 Ca 0.07 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 1xjk n PRO 15 Cb 0.40 -2.03 0.22 0.00 -0.02 0.00 0.00 33.50 32.07 1xjk n PRO 15 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xjk n SER 16 N 1.85 -1.93 0.27 2.55 3.41 -1.26 -4.57 113.62 113.95 1xjk n SER 16 Ca 0.13 -0.11 0.13 0.00 -0.26 0.00 0.00 58.87 58.75 1xjk n SER 16 Cb 0.28 -1.15 0.76 0.00 -0.26 0.00 0.00 64.21 63.84 1xjk n SER 16 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1xjk h LYS 17 N -2.40 0.00 0.22 4.33 2.10 -1.98 0.79 116.57 119.62 1xjk h LYS 17 Ca -0.58 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.06 1xjk h LYS 17 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 1xjk h LYS 17 CO 0.44 0.08 -0.11 -0.97 -2.00 0.00 0.00 179.45 176.90 1xjk h ASN 18 N 0.00 -0.25 -0.29 7.07 -1.24 -1.95 -2.03 115.58 116.89 1xjk h ASN 18 Ca -0.00 -0.25 0.03 0.00 0.71 0.00 0.00 56.30 56.79 1xjk h ASN 18 Cb 0.22 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 1xjk h ASN 18 CO 0.01 0.16 0.10 0.00 -1.29 0.00 0.00 177.43 176.41 1xjk h ALA 19 N -0.08 0.32 -0.86 1.57 0.00 -1.67 -2.69 119.26 115.85 1xjk h ALA 19 Ca -0.03 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xjk h ALA 19 Cb 0.49 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1xjk h ALA 19 CO 0.05 -0.30 0.57 1.96 0.00 0.00 0.00 179.25 181.52 1xjk h GLN 20 N 0.23 1.07 -0.42 0.00 4.20 -0.88 -0.37 115.11 118.93 1xjk h GLN 20 Ca 0.13 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1xjk h GLN 20 Cb 0.09 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1xjk h GLN 20 CO -0.13 0.71 0.10 0.82 -0.67 0.00 0.00 178.83 179.66 1xjk h ILE 21 N 1.10 1.23 -0.59 2.54 2.04 -1.22 -0.80 117.51 121.81 1xjk h ILE 21 Ca 0.34 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1xjk h ILE 21 Cb -0.02 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1xjk h ILE 21 CO -0.09 0.28 0.14 0.40 0.00 0.00 0.00 178.15 178.88 1xjk h ILE 22 N 0.55 1.25 0.80 -0.67 2.04 -1.10 -0.48 117.51 119.89 1xjk h ILE 22 Ca 0.13 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1xjk h ILE 22 Cb 0.32 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1xjk h ILE 22 CO 0.00 0.33 -0.46 -0.07 0.00 0.00 0.00 178.15 177.95 1xjk h LEU 23 N 0.85 -1.15 -0.13 1.44 3.38 -1.01 -1.23 115.31 117.45 1xjk h LEU 23 Ca 0.18 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1xjk h LEU 23 Cb 0.35 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 1xjk h LEU 23 CO 0.00 -0.73 -0.43 0.03 0.09 0.00 0.00 178.44 177.40 1xjk h ARG 24 N -1.18 -0.48 -1.05 1.13 3.08 -1.14 0.45 114.38 115.19 1xjk h ARG 24 Ca -0.11 0.03 0.31 0.00 0.07 0.00 0.00 59.98 60.29 1xjk h ARG 24 Cb 0.93 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 30.96 1xjk h ARG 24 CO 0.13 -0.32 0.63 0.22 -1.07 0.00 0.00 179.97 179.55 1xjk h ASP 25 N -0.50 0.50 0.00 7.04 3.58 -1.09 -3.39 116.42 122.57 1xjk h ASP 25 Ca 0.07 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1xjk h ASP 25 Cb 0.63 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1xjk h ASP 25 CO -0.40 -0.06 0.00 -2.11 -2.88 0.00 0.00 179.24 173.79 1xjk n ARG 26 N -4.91 0.00 -0.07 0.28 1.85 -0.47 -4.99 116.66 108.36 1xjk n ARG 26 Ca 0.31 -0.08 -0.08 0.00 -1.00 0.00 0.00 57.85 57.00 1xjk n ARG 26 Cb 0.98 -0.17 -0.09 0.00 -1.05 0.00 0.00 32.46 32.13 1xjk n ARG 26 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1xjk n TYR 27 N 0.00 0.00 -2.14 2.89 4.02 0.15 -4.91 117.16 117.17 1xjk n TYR 27 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1xjk n TYR 27 Cb 0.36 -0.61 -0.03 0.00 -0.02 0.00 0.00 39.34 39.04 1xjk n TYR 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xjk s PHE 28 N -2.31 2.69 0.68 -0.72 0.08 -0.94 -4.75 117.98 112.71 1xjk s PHE 28 Ca -0.11 0.66 -0.17 0.00 0.12 0.00 0.00 56.93 57.43 1xjk s PHE 28 Cb 0.04 -3.75 0.01 0.00 -0.57 0.00 0.00 43.02 38.75 1xjk s PHE 28 CO 0.46 -2.86 1.26 1.41 -0.10 0.00 0.00 175.22 175.39 1xjk s MET 29 N 2.61 2.37 -0.03 0.44 1.75 -1.26 -4.87 119.30 120.31 1xjk s MET 29 Ca 0.67 1.96 0.01 0.00 -1.25 0.00 0.00 55.69 57.08 1xjk s MET 29 Cb -0.33 -1.84 0.02 0.00 2.84 0.00 0.00 34.83 35.52 1xjk s MET 29 CO 0.28 -1.71 -0.04 0.15 -0.65 0.00 0.00 175.02 173.04 1xjk s LYS 30 N -3.57 0.68 1.02 4.11 1.02 -1.26 -2.03 119.74 119.71 1xjk s LYS 30 Ca 0.80 -0.11 -0.12 0.00 0.02 0.00 0.00 55.97 56.55 1xjk s LYS 30 Cb -0.35 -0.70 0.20 0.00 -0.52 0.00 0.00 37.83 36.46 1xjk s LYS 30 CO 0.42 -0.03 1.08 0.16 -0.92 0.00 0.00 175.35 176.06 1xjk s ASP 31 N 0.64 2.28 0.00 2.83 1.47 0.51 -4.73 116.67 119.67 1xjk s ASP 31 Ca -0.08 1.60 0.00 0.00 1.18 0.00 0.00 52.55 55.25 1xjk s ASP 31 Cb -0.11 -2.27 0.00 0.00 -0.34 0.00 0.00 42.92 40.20 1xjk s ASP 31 CO -0.00 -3.41 0.17 0.18 0.68 0.00 0.00 175.17 172.80 1xjk n LEU 32 N -4.40 0.00 -0.05 2.11 4.32 -1.26 0.52 117.00 118.24 1xjk n LEU 32 Ca 0.06 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.06 1xjk n LEU 32 Cb 0.54 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 1xjk n LEU 32 CO 0.55 0.00 0.25 0.47 -1.22 0.00 0.00 177.39 177.44 1xjk n ASP 33 N -0.60 1.03 -0.48 -1.43 8.00 -1.26 -5.00 116.55 116.81 1xjk n ASP 33 Ca 0.00 -1.01 -0.00 0.00 0.71 0.00 0.00 54.79 54.48 1xjk n ASP 33 Cb 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1xjk n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xjk n GLY 34 N 0.16 0.86 3.68 0.44 0.00 0.18 -5.07 105.19 105.44 1xjk n GLY 34 Ca 0.01 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1xjk n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjk s ASN 35 N -3.00 5.01 -0.14 1.61 0.01 -1.25 -4.89 114.94 112.29 1xjk s ASN 35 Ca 0.01 -0.13 -0.29 0.00 -0.71 0.00 0.00 52.86 51.73 1xjk s ASN 35 Cb -0.00 -1.22 -0.02 0.00 0.41 0.00 0.00 41.25 40.42 1xjk s ASN 35 CO 0.01 0.21 1.32 -0.31 -1.51 0.00 0.00 177.10 176.81 1xjk s TYR 36 N -1.23 2.74 -0.22 2.20 2.02 -1.26 -0.37 117.35 121.23 1xjk s TYR 36 Ca 0.24 0.90 0.22 0.00 -0.37 0.00 0.00 57.07 58.05 1xjk s TYR 36 Cb -0.12 -3.56 -0.02 0.00 -0.40 0.00 0.00 41.96 37.87 1xjk s TYR 36 CO 0.15 -1.99 1.02 -0.07 -1.57 0.00 0.00 175.55 173.09 1xjk h LEU 37 N 9.72 0.00 -8.00 -1.29 3.38 -1.77 -3.46 115.31 113.88 1xjk h LEU 37 Ca -0.29 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.29 1xjk h LEU 37 Cb 1.12 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.57 1xjk h LEU 37 CO 0.96 0.08 -0.78 -1.61 0.09 0.00 0.00 178.44 177.18 1xjk s GLU 38 N -3.31 0.75 0.00 1.13 2.02 -1.22 -4.95 118.70 113.12 1xjk s GLU 38 Ca -0.01 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1xjk s GLU 38 Cb 0.09 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.60 1xjk s GLU 38 CO 0.79 0.16 0.00 0.25 0.02 0.00 0.00 175.26 176.49 1xjk n THR 39 N 2.98 0.00 -4.12 3.63 -2.24 -1.26 -4.59 114.28 108.68 1xjk n THR 39 Ca -0.15 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1xjk n THR 39 Cb 0.56 0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 69.31 1xjk n THR 39 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1xjk s LYS 40 N -0.80 1.30 0.48 -0.78 0.00 -1.26 -5.00 119.74 113.68 1xjk s LYS 40 Ca 0.00 -1.47 0.16 0.00 0.00 0.00 0.00 55.97 54.66 1xjk s LYS 40 Cb 0.00 0.34 1.17 0.00 0.00 0.00 0.00 37.83 39.34 1xjk s LYS 40 CO 0.00 -0.47 2.06 2.35 0.00 0.00 0.00 175.35 179.29 1xjk h TRP 41 N 2.51 0.19 -0.88 1.78 2.91 -1.99 -0.83 115.95 119.64 1xjk h TRP 41 Ca -0.32 0.00 0.06 0.00 1.13 0.00 0.00 58.89 59.76 1xjk h TRP 41 Cb 1.25 -0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 29.78 1xjk h TRP 41 CO 0.37 0.10 0.57 1.49 -1.03 0.00 0.00 178.44 179.95 1xjk h GLU 42 N 0.19 0.97 -0.55 2.65 4.81 -1.96 0.18 114.58 120.86 1xjk h GLU 42 Ca 0.15 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1xjk h GLU 42 Cb 0.37 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1xjk h GLU 42 CO -0.03 0.64 0.08 -0.44 -0.73 0.00 0.00 179.01 178.53 1xjk h ASP 43 N 1.00 0.88 -0.10 1.04 3.32 -1.57 -0.66 116.42 120.34 1xjk h ASP 43 Ca 0.37 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1xjk h ASP 43 Cb 0.19 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1xjk h ASP 43 CO -0.14 0.93 0.03 0.58 -1.72 0.00 0.00 179.24 178.92 1xjk h VAL 44 N 0.81 1.19 -0.74 -1.35 2.07 -1.22 -1.14 116.25 115.87 1xjk h VAL 44 Ca 0.17 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1xjk h VAL 44 Cb 0.43 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1xjk h VAL 44 CO 0.01 0.17 0.43 0.00 0.02 0.00 0.00 177.57 178.20 1xjk h ALA 45 N 0.82 1.01 0.23 1.67 0.00 -0.64 0.76 119.26 123.11 1xjk h ALA 45 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xjk h ALA 45 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xjk h ALA 45 CO -0.00 0.13 -0.11 -0.09 0.00 0.00 0.00 179.25 179.18 1xjk h ARG 46 N 0.79 -0.30 -0.46 0.00 9.65 -0.96 -1.54 114.38 121.56 1xjk h ARG 46 Ca 0.33 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.30 1xjk h ARG 46 Cb 0.19 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.78 1xjk h ARG 46 CO -0.18 -0.05 0.13 -0.09 2.80 0.00 0.00 179.97 182.58 1xjk h ARG 47 N -0.52 0.27 -0.13 0.20 2.43 -0.99 -1.64 114.38 114.00 1xjk h ARG 47 Ca -0.03 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1xjk h ARG 47 Cb 0.39 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1xjk h ARG 47 CO 0.05 0.18 -0.22 0.28 -1.51 0.00 0.00 179.97 178.75 1xjk h VAL 48 N 0.28 1.37 -0.71 0.20 2.07 -0.79 -1.76 116.25 116.90 1xjk h VAL 48 Ca 0.22 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1xjk h VAL 48 Cb 0.26 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1xjk h VAL 48 CO -0.26 0.43 0.41 0.00 0.02 0.00 0.00 177.57 178.17 1xjk h ALA 49 N 0.56 0.91 -0.39 1.67 0.00 -1.27 -1.45 119.26 119.30 1xjk h ALA 49 Ca 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xjk h ALA 49 Cb 0.79 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1xjk h ALA 49 CO 0.05 0.41 0.13 -0.09 0.00 0.00 0.00 179.25 179.74 1xjk h ARG 50 N 0.98 0.60 -0.87 0.00 2.43 -1.20 0.26 114.38 116.56 1xjk h ARG 50 Ca 0.25 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1xjk h ARG 50 Cb 0.01 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1xjk h ARG 50 CO -0.04 0.60 0.48 0.28 -1.51 0.00 0.00 179.97 179.77 1xjk h VAL 51 N 0.48 1.25 0.09 0.20 2.07 -1.18 -2.30 116.25 116.85 1xjk h VAL 51 Ca 0.13 -0.63 -0.27 0.00 0.82 0.00 0.00 66.70 66.75 1xjk h VAL 51 Cb 0.25 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1xjk h VAL 51 CO -0.00 0.28 -1.33 0.58 0.02 0.00 0.00 177.57 177.12 1xjk h VAL 52 N 1.22 1.37 -0.62 2.57 2.07 -1.11 -3.07 116.25 118.68 1xjk h VAL 52 Ca 0.31 -3.02 0.07 0.00 0.82 0.00 0.00 66.70 64.87 1xjk h VAL 52 Cb 0.03 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.58 1xjk h VAL 52 CO -0.05 0.85 0.41 0.00 0.02 0.00 0.00 177.57 178.80 1xjk h ALA 53 N 0.67 1.82 -1.13 1.67 0.00 -0.98 -2.58 119.26 118.73 1xjk h ALA 53 Ca -0.16 -0.02 0.32 0.00 0.00 0.00 0.00 54.91 55.05 1xjk h ALA 53 Cb 1.95 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.51 1xjk h ALA 53 CO 0.16 0.07 0.77 1.15 0.00 0.00 0.00 179.25 181.40 1xjk h THR 54 N 0.59 0.43 -0.00 0.00 2.02 -1.30 -0.57 112.91 114.06 1xjk h THR 54 Ca 0.27 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1xjk h THR 54 Cb 0.31 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1xjk h THR 54 CO -0.08 0.04 0.04 0.00 0.37 0.00 0.00 175.52 175.89 1xjk h ALA 55 N 1.53 1.10 0.00 6.16 0.00 -1.60 -0.69 119.26 125.76 1xjk h ALA 55 Ca 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 1xjk h ALA 55 Cb 1.93 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1xjk h ALA 55 CO -0.20 -0.04 -0.00 0.93 0.00 0.00 0.00 179.25 179.94 1xjk h GLU 56 N 0.00 0.00 -0.48 0.00 4.39 -1.31 -1.71 114.58 115.47 1xjk h GLU 56 Ca 0.00 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1xjk h GLU 56 Cb 0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1xjk h GLU 56 CO -0.00 0.00 0.71 1.25 -1.16 0.00 0.00 179.01 179.81 1xjk h LEU 57 N 0.00 0.00 -2.32 1.33 5.85 -1.30 -1.22 115.31 117.65 1xjk h LEU 57 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xjk h LEU 57 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1xjk h LEU 57 CO 0.00 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 1xjk n LEU 58 N -3.30 3.19 -4.63 2.25 4.77 -0.64 -4.95 117.00 113.70 1xjk n LEU 58 Ca 0.10 -1.54 -0.43 0.00 -0.03 0.00 0.00 56.01 54.10 1xjk n LEU 58 Cb 0.88 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 1xjk n LEU 58 CO 0.21 0.70 1.16 0.21 -1.33 0.00 0.00 177.39 178.35 1xjk s ASN 59 N -1.30 6.62 0.52 -1.43 3.84 -0.46 -4.90 114.94 117.82 1xjk s ASN 59 Ca 0.33 1.22 0.30 0.00 0.21 0.00 0.00 52.86 54.93 1xjk s ASN 59 Cb 0.19 -2.54 1.17 0.00 -0.55 0.00 0.00 41.25 39.53 1xjk s ASN 59 CO 0.27 -1.12 1.92 1.55 -2.79 0.00 0.00 177.10 176.92 1xjk h PRO 60 N 9.54 0.00 0.00 0.43 0.13 -1.86 -2.95 132.00 137.28 1xjk h PRO 60 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 1xjk h PRO 60 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1xjk h PRO 60 CO 1.03 0.05 -0.19 0.77 -0.23 0.00 0.00 178.00 179.43 1xjk h SER 61 N 0.00 0.00 -3.18 1.44 0.02 -1.91 -3.44 113.55 106.48 1xjk h SER 61 Ca -0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 1xjk h SER 61 Cb 0.61 0.00 0.13 0.00 0.14 0.00 0.00 62.40 63.28 1xjk h SER 61 CO 0.01 0.19 0.28 -0.31 -1.14 0.00 0.00 176.83 175.86 1xjk s TYR 62 N -4.32 1.58 0.28 3.45 4.12 -1.11 -5.12 117.35 116.23 1xjk s TYR 62 Ca -0.03 0.05 0.04 0.00 0.02 0.00 0.00 57.07 57.14 1xjk s TYR 62 Cb 0.14 -3.62 -0.06 0.00 -1.52 0.00 0.00 41.96 36.91 1xjk s TYR 62 CO 0.65 -2.24 0.03 0.15 0.02 0.00 0.00 175.55 174.16 1xjk s LYS 63 N -5.56 1.51 0.45 -0.62 3.01 -1.26 -5.01 119.74 112.26 1xjk s LYS 63 Ca 0.71 -1.81 -0.24 0.00 -1.01 0.00 0.00 55.97 53.62 1xjk s LYS 63 Cb -0.04 -0.74 -0.09 0.00 -1.01 0.00 0.00 37.83 35.95 1xjk s LYS 63 CO 0.49 -0.15 1.12 0.36 0.51 0.00 0.00 175.35 177.69 1xjk n LYS 64 N -0.56 1.52 -2.51 1.68 2.85 -1.26 -1.05 118.16 118.83 1xjk n LYS 64 Ca -0.03 0.55 -0.03 0.00 -1.05 0.00 0.00 58.31 57.74 1xjk n LYS 64 Cb 0.65 -2.22 0.01 0.00 -0.65 0.00 0.00 35.03 32.83 1xjk n LYS 64 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1xjk n ASN 65 N 0.12 -2.45 0.00 -5.58 4.13 -1.26 -4.79 115.26 105.43 1xjk n ASN 65 Ca 0.09 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1xjk n ASN 65 Cb 0.41 -1.22 0.00 0.00 -1.54 0.00 0.00 39.78 37.42 1xjk n ASN 65 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1xjk n GLU 66 N -1.32 0.00 0.17 3.52 2.13 -1.19 -5.05 120.64 118.91 1xjk n GLU 66 Ca -0.02 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.66 1xjk n GLU 66 Cb 0.52 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.16 1xjk n GLU 66 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xjk h LYS 67 N 0.00 -0.56 -0.97 5.31 1.57 -1.40 -1.78 116.57 118.74 1xjk h LYS 67 Ca 0.00 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1xjk h LYS 67 Cb 0.00 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 1xjk h LYS 67 CO 0.00 -0.37 0.62 1.25 -0.57 0.00 0.00 179.45 180.38 1xjk h LEU 68 N -0.58 0.95 0.06 2.94 5.85 -1.97 0.74 115.31 123.31 1xjk h LEU 68 Ca -0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1xjk h LEU 68 Cb 0.55 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1xjk h LEU 68 CO -0.08 0.57 -0.03 0.44 -0.34 0.00 0.00 178.44 179.00 1xjk h ASP 69 N 1.06 -0.07 -0.61 1.25 3.32 -1.91 -1.80 116.42 117.66 1xjk h ASP 69 Ca 0.45 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 1xjk h ASP 69 Cb 0.29 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1xjk h ASP 69 CO -0.21 0.06 0.24 0.03 -1.72 0.00 0.00 179.24 177.63 1xjk h ARG 70 N -0.19 0.92 -0.12 3.56 -0.00 -0.56 -2.13 114.38 115.86 1xjk h ARG 70 Ca -0.01 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.98 59.29 1xjk h ARG 70 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 29.98 1xjk h ARG 70 CO 0.01 0.78 0.05 0.82 0.00 0.00 0.00 179.97 181.63 1xjk h ILE 71 N 0.85 1.16 0.00 2.04 2.04 0.51 -2.33 117.51 121.77 1xjk h ILE 71 Ca 0.20 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1xjk h ILE 71 Cb 0.21 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1xjk h ILE 71 CO -0.02 0.14 -0.11 0.11 0.00 0.00 0.00 178.15 178.27 1xjk h LYS 72 N 0.04 0.00 -0.37 2.37 1.57 -1.22 -0.80 116.57 118.15 1xjk h LYS 72 Ca 0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 1xjk h LYS 72 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1xjk h LYS 72 CO -0.00 0.11 -0.41 0.93 -0.57 0.00 0.00 179.45 179.51 1xjk h GLU 73 N 0.00 0.94 -0.32 3.15 5.08 -1.23 -1.87 114.58 120.33 1xjk h GLU 73 Ca -0.00 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 1xjk h GLU 73 Cb 0.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xjk h GLU 73 CO 0.01 1.16 -0.06 -1.49 -1.00 0.00 0.00 179.01 177.64 1xjk h TRP 74 N 0.76 0.67 -0.51 4.33 4.06 -0.63 -1.52 115.95 123.12 1xjk h TRP 74 Ca 0.05 -0.14 0.04 0.00 2.06 0.00 0.00 58.89 60.91 1xjk h TRP 74 Cb 1.01 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.97 1xjk h TRP 74 CO 0.06 0.77 0.34 1.49 -3.56 0.00 0.00 178.44 177.54 1xjk h GLU 75 N 0.39 0.50 0.02 0.49 4.81 -1.27 0.47 114.58 119.99 1xjk h GLU 75 Ca 0.08 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1xjk h GLU 75 Cb 0.54 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1xjk h GLU 75 CO 0.03 0.33 -0.01 0.22 -0.73 0.00 0.00 179.01 178.85 1xjk h ASP 76 N 0.52 -0.03 0.38 1.04 3.58 -1.20 0.21 116.42 120.92 1xjk h ASP 76 Ca 0.21 -0.52 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 1xjk h ASP 76 Cb 0.19 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1xjk h ASP 76 CO -0.06 0.51 -0.26 -0.29 -2.88 0.00 0.00 179.24 176.26 1xjk h ILE 77 N -0.58 0.45 -0.68 2.25 6.09 -0.74 -1.54 117.51 122.76 1xjk h ILE 77 Ca -0.00 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.58 1xjk h ILE 77 Cb 0.54 0.45 -0.11 0.00 0.47 0.00 0.00 36.82 38.17 1xjk h ILE 77 CO 0.01 0.00 -0.48 -0.26 -3.07 0.00 0.00 178.15 174.34 1xjk h PHE 78 N -0.63 -1.46 -0.55 2.19 0.04 -0.97 -0.88 116.94 114.68 1xjk h PHE 78 Ca -0.03 0.09 0.10 0.00 2.80 0.00 0.00 57.97 60.93 1xjk h PHE 78 Cb 0.53 0.73 -0.08 0.00 2.20 0.00 0.00 35.95 39.34 1xjk h PHE 78 CO -0.12 -0.42 0.09 0.35 -0.60 0.00 0.00 178.31 177.61 1xjk h PHE 79 N -0.18 0.14 0.02 -0.55 3.57 -0.40 -0.77 116.94 118.77 1xjk h PHE 79 Ca 0.18 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1xjk h PHE 79 Cb 0.54 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1xjk h PHE 79 CO -0.80 -0.04 -0.01 0.00 -2.23 0.00 0.00 178.31 175.23 1xjk h ARG 80 N 0.22 -0.02 -0.61 1.11 3.08 -0.15 0.18 114.38 118.19 1xjk h ARG 80 Ca 0.28 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.46 1xjk h ARG 80 Cb 0.41 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.35 1xjk h ARG 80 CO -0.38 0.35 -0.07 0.28 -1.07 0.00 0.00 179.97 179.08 1xjk h VAL 81 N -0.40 0.44 0.10 2.04 2.07 -1.15 0.05 116.25 119.40 1xjk h VAL 81 Ca -0.00 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xjk h VAL 81 Cb 0.38 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1xjk h VAL 81 CO 0.00 0.01 -0.05 -0.07 0.02 0.00 0.00 177.57 177.49 1xjk h LEU 82 N 0.06 -0.11 -1.04 2.57 3.38 -1.05 -1.05 115.31 118.07 1xjk h LEU 82 Ca 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1xjk h LEU 82 Cb 0.49 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1xjk h LEU 82 CO -0.57 0.08 0.42 0.50 0.09 0.00 0.00 178.44 178.96 1xjk h LYS 83 N -0.29 1.10 0.00 1.13 3.64 -0.51 -0.93 116.57 120.71 1xjk h LYS 83 Ca -0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1xjk h LYS 83 Cb 0.24 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1xjk h LYS 83 CO 0.02 0.81 0.00 0.00 -2.27 0.00 0.00 179.45 178.01 1xjk h ALA 84 N 1.36 1.00 -4.34 5.00 0.00 -0.93 -3.45 119.26 117.90 1xjk h ALA 84 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.87 1xjk h ALA 84 Cb 0.04 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.91 1xjk h ALA 84 CO -0.04 0.00 -0.51 0.54 0.00 0.00 0.00 179.25 179.24 1xjk n ARG 85 N -2.60 -5.36 0.09 0.00 1.74 -0.35 -4.58 116.66 105.59 1xjk n ARG 85 Ca 0.01 0.67 0.11 0.00 -0.77 0.00 0.00 57.85 57.87 1xjk n ARG 85 Cb 0.26 -5.15 -0.02 0.00 -1.02 0.00 0.00 32.46 26.53 1xjk n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xjk n LEU 86 N -3.72 0.77 -3.74 0.55 4.77 -0.92 -4.61 117.00 110.10 1xjk n LEU 86 Ca -0.03 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1xjk n LEU 86 Cb 0.56 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1xjk n LEU 86 CO 0.46 -0.15 -0.04 0.12 -1.33 0.00 0.00 177.39 176.45 1xjk s PHE 87 N -3.35 -0.40 -0.04 -1.77 5.36 -1.25 -1.27 117.98 115.27 1xjk s PHE 87 Ca -0.01 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 56.88 1xjk s PHE 87 Cb 0.10 0.13 0.02 0.00 -0.34 0.00 0.00 43.02 42.93 1xjk s PHE 87 CO 0.80 -0.23 -0.02 0.42 -1.46 0.00 0.00 175.22 174.73 1xjk s ILE 88 N 0.87 0.38 0.80 3.12 1.01 -0.04 -4.22 121.20 123.12 1xjk s ILE 88 Ca -0.06 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 1xjk s ILE 88 Cb -0.07 -0.45 0.07 0.00 0.01 0.00 0.00 42.46 42.02 1xjk s ILE 88 CO -0.06 0.20 1.09 -2.16 0.00 0.00 0.00 174.94 174.00 1xjk s PRO 89 N 1.03 2.09 0.59 2.79 0.04 -1.26 -1.11 135.00 139.17 1xjk s PRO 89 Ca -0.10 0.76 -0.18 0.00 0.04 0.00 0.00 61.00 61.52 1xjk s PRO 89 Cb -0.14 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1xjk s PRO 89 CO -0.01 -1.65 0.89 0.27 0.04 0.00 0.00 177.00 176.54 1xjk n ASN 90 N -3.47 0.45 -0.33 6.66 2.04 0.58 -4.79 115.26 116.40 1xjk n ASN 90 Ca 0.07 0.80 0.12 0.00 -0.44 0.00 0.00 54.58 55.13 1xjk n ASN 90 Cb 0.55 -1.35 0.25 0.00 -2.53 0.00 0.00 39.78 36.70 1xjk n ASN 90 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1xjk h SER 91 N 0.47 -0.52 -0.48 0.53 0.02 -1.92 -0.99 113.55 110.67 1xjk h SER 91 Ca -0.48 0.27 0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1xjk h SER 91 Cb 1.37 0.48 -0.03 0.00 0.14 0.00 0.00 62.40 64.37 1xjk h SER 91 CO 0.50 -0.32 0.33 -0.65 -1.14 0.00 0.00 176.83 175.55 1xjk h PRO 92 N 0.03 0.21 -0.74 3.45 0.11 -1.89 0.12 132.00 133.29 1xjk h PRO 92 Ca 0.55 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.61 1xjk h PRO 92 Cb 1.07 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1xjk h PRO 92 CO -0.89 0.14 0.30 1.15 -0.21 0.00 0.00 178.00 178.49 1xjk h THR 93 N 0.22 1.25 -0.13 -1.15 2.02 -1.08 -1.64 112.91 112.40 1xjk h THR 93 Ca 0.22 -0.77 -0.18 0.00 0.77 0.00 0.00 66.41 66.46 1xjk h THR 93 Cb 0.59 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1xjk h THR 93 CO -0.04 0.31 -0.65 -0.07 0.37 0.00 0.00 175.52 175.44 1xjk h LEU 94 N 1.07 0.57 -0.02 2.58 3.38 -0.86 -2.37 115.31 119.66 1xjk h LEU 94 Ca 0.25 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1xjk h LEU 94 Cb 0.19 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xjk h LEU 94 CO -0.02 1.07 -0.33 -0.26 0.09 0.00 0.00 178.44 178.98 1xjk h PHE 95 N 0.36 0.38 -0.00 1.13 0.04 -1.18 -3.39 116.94 114.27 1xjk h PHE 95 Ca -0.02 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1xjk h PHE 95 Cb 1.22 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1xjk h PHE 95 CO 0.05 0.97 -0.51 0.09 -0.60 0.00 0.00 178.31 178.30 1xjk n ASN 96 N -4.43 0.87 -4.68 2.17 3.02 -0.62 -4.90 115.26 106.68 1xjk n ASN 96 Ca -0.09 -0.94 -0.44 0.00 -0.03 0.00 0.00 54.58 53.08 1xjk n ASN 96 Cb 0.53 0.84 -0.04 0.00 -0.61 0.00 0.00 39.78 40.51 1xjk n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjk n ALA 97 N -0.96 1.82 -0.78 5.41 0.00 -0.89 -2.32 120.51 122.79 1xjk n ALA 97 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1xjk n ALA 97 Cb 0.23 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1xjk n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjk n GLY 98 N 4.11 0.80 3.73 0.00 0.00 -1.26 -4.89 105.19 107.68 1xjk n GLY 98 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xjk n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjk s LEU 99 N 0.00 4.38 0.00 0.99 1.43 -0.98 -1.60 118.68 122.90 1xjk s LEU 99 Ca 0.00 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1xjk s LEU 99 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1xjk s LEU 99 CO 0.00 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.52 1xjk n GLY 100 N 3.06 3.15 3.80 -3.19 0.00 -1.26 -1.73 105.19 109.02 1xjk n GLY 100 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1xjk n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjk s VAL 101 N -2.85 5.02 -0.25 1.61 1.01 -0.63 -4.74 120.40 119.57 1xjk s VAL 101 Ca 0.00 0.93 -0.40 0.00 0.00 0.00 0.00 61.98 62.51 1xjk s VAL 101 Cb 0.00 -3.77 -0.16 0.00 0.00 0.00 0.00 36.38 32.45 1xjk s VAL 101 CO 0.00 0.50 1.69 0.29 0.00 0.00 0.00 175.10 177.58 1xjk n LYS 102 N 2.33 1.08 -0.30 2.72 5.02 -1.26 -4.86 118.16 122.89 1xjk n LYS 102 Ca -0.11 0.40 0.25 0.00 -2.02 0.00 0.00 58.31 56.83 1xjk n LYS 102 Cb 0.52 -2.06 0.57 0.00 -0.02 0.00 0.00 35.03 34.04 1xjk n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xjk h HIS 103 N 6.78 0.47 0.00 2.13 3.86 -1.94 0.04 115.15 126.49 1xjk h HIS 103 Ca -0.46 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1xjk h HIS 103 Cb 1.32 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1xjk h HIS 103 CO 0.75 0.05 0.00 -0.40 0.86 0.00 0.00 177.93 179.18 1xjk n ASP 104 N -4.50 0.00 -0.01 2.45 5.68 -1.26 -2.54 116.55 116.37 1xjk n ASP 104 Ca 0.24 -1.02 0.08 0.00 -0.50 0.00 0.00 54.79 53.59 1xjk n ASP 104 Cb 0.94 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.81 1xjk n ASP 104 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1xjk n LEU 105 N -0.82 0.18 0.08 -2.12 4.77 -0.00 -4.32 117.00 114.76 1xjk n LEU 105 Ca 0.12 -0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1xjk n LEU 105 Cb 0.05 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1xjk n LEU 105 CO 0.09 0.04 0.06 0.18 -1.33 0.00 0.00 177.39 176.43 1xjk n LEU 106 N -1.88 0.75 0.00 2.23 4.77 -1.05 -4.14 117.00 117.67 1xjk n LEU 106 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1xjk n LEU 106 Cb 0.37 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1xjk n LEU 106 CO 0.33 -0.12 0.33 0.79 -1.33 0.00 0.00 177.39 177.39 1xjk n TRP 107 N -2.44 0.00 -2.51 -1.77 8.01 -1.25 -3.61 117.44 113.87 1xjk n TRP 107 Ca 0.01 -0.21 -0.39 0.00 -1.31 0.00 0.00 57.50 55.60 1xjk n TRP 107 Cb 0.51 -0.02 -0.04 0.00 -2.01 0.00 0.00 31.31 29.75 1xjk n TRP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1xjk s LYS 108 N -0.42 4.50 0.47 -0.99 -2.85 -1.26 -4.92 119.74 114.26 1xjk s LYS 108 Ca 0.00 1.69 -0.25 0.00 -1.00 0.00 0.00 55.97 56.42 1xjk s LYS 108 Cb 0.00 -2.98 -0.08 0.00 -2.06 0.00 0.00 37.83 32.71 1xjk s LYS 108 CO 0.00 0.11 1.37 -2.30 0.10 0.00 0.00 175.35 174.64 1xjk n PRO 109 N 0.80 2.05 -0.15 1.78 -0.02 -1.26 -4.89 135.00 133.31 1xjk n PRO 109 Ca 0.01 0.73 -0.03 0.00 -2.02 0.00 0.00 63.50 62.19 1xjk n PRO 109 Cb 0.46 -2.55 0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1xjk n PRO 109 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xjk h ILE 110 N 2.05 0.65 -1.05 4.25 2.10 -1.99 -1.47 117.51 122.04 1xjk h ILE 110 Ca -0.50 -0.04 0.28 0.00 1.08 0.00 0.00 64.86 65.68 1xjk h ILE 110 Cb 1.28 0.51 -0.07 0.00 -1.09 0.00 0.00 36.82 37.45 1xjk h ILE 110 CO 0.60 0.02 0.71 -2.24 -1.08 0.00 0.00 178.15 176.16 1xjk h ASP 111 N 0.13 0.25 0.32 2.19 3.04 -1.98 -0.21 116.42 120.15 1xjk h ASP 111 Ca 0.24 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 1xjk h ASP 111 Cb 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.64 1xjk h ASP 111 CO -0.38 0.05 -0.04 0.00 -2.04 0.00 0.00 179.24 176.83 1xjk n GLN 112 N -4.44 0.74 -2.53 4.15 6.02 -0.56 -4.91 117.38 115.84 1xjk n GLN 112 Ca 0.24 -0.15 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 1xjk n GLN 112 Cb 0.98 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.71 1xjk n GLN 112 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1xjk s MET 113 N -2.37 4.63 0.34 -1.09 -1.94 -0.09 -5.01 119.30 113.77 1xjk s MET 113 Ca 0.34 1.71 0.09 0.00 -1.71 0.00 0.00 55.69 56.11 1xjk s MET 113 Cb 0.21 -3.26 -0.05 0.00 2.01 0.00 0.00 34.83 33.74 1xjk s MET 113 CO 0.44 0.15 0.06 0.95 -0.01 0.00 0.00 175.02 176.61 1xjk s THR 114 N -0.53 2.80 0.59 2.05 -4.23 -1.26 -5.01 115.64 110.05 1xjk s THR 114 Ca 0.47 -1.87 0.29 0.00 -1.18 0.00 0.00 61.69 59.40 1xjk s THR 114 Cb -0.29 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.04 1xjk s THR 114 CO 0.36 -0.20 2.12 0.25 -0.54 0.00 0.00 174.62 176.61 1xjk h LEU 115 N 1.72 0.00 -0.01 4.79 5.85 -1.96 -2.67 115.31 123.02 1xjk h LEU 115 Ca -0.43 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 1xjk h LEU 115 Cb 1.25 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.29 1xjk h LEU 115 CO 0.65 0.00 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.15 1xjk h GLU 116 N 0.00 0.20 -0.79 1.25 5.08 -1.99 -2.72 114.58 115.61 1xjk h GLU 116 Ca 0.07 -0.20 0.16 0.00 -1.00 0.00 0.00 59.36 58.39 1xjk h GLU 116 Cb 0.41 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.61 1xjk h GLU 116 CO -0.00 0.92 0.31 -0.44 -1.00 0.00 0.00 179.01 178.80 1xjk h ASP 117 N -0.44 0.27 -0.06 1.42 3.32 -1.89 -0.32 116.42 118.73 1xjk h ASP 117 Ca -0.03 0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1xjk h ASP 117 Cb 1.00 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1xjk h ASP 117 CO 0.05 0.07 -0.36 1.88 -1.72 0.00 0.00 179.24 179.16 1xjk h TYR 118 N 0.42 0.65 -0.35 4.55 0.99 -1.53 -2.48 116.97 119.23 1xjk h TYR 118 Ca 0.45 -0.18 -0.14 0.00 2.00 0.00 0.00 58.73 60.86 1xjk h TYR 118 Cb 0.74 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 38.31 1xjk h TYR 118 CO -0.17 0.84 -0.35 0.93 -0.00 0.00 0.00 178.16 179.41 1xjk h GLU 119 N 0.47 0.80 -0.42 4.88 5.08 -1.00 -2.07 114.58 122.32 1xjk h GLU 119 Ca 0.05 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 1xjk h GLU 119 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1xjk h GLU 119 CO 0.07 1.03 -0.05 1.49 -1.00 0.00 0.00 179.01 180.55 1xjk h GLU 120 N 0.67 0.78 -0.25 2.33 4.57 -0.96 -2.08 114.58 119.64 1xjk h GLU 120 Ca 0.06 -0.27 0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1xjk h GLU 120 Cb 0.90 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.37 1xjk h GLU 120 CO 0.08 0.87 -0.55 0.82 -1.18 0.00 0.00 179.01 179.06 1xjk h ILE 121 N 0.61 0.00 -0.89 2.32 2.04 -1.44 0.11 117.51 120.26 1xjk h ILE 121 Ca 0.11 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.22 1xjk h ILE 121 Cb 0.55 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.49 1xjk h ILE 121 CO 0.03 0.00 0.22 0.22 0.00 0.00 0.00 178.15 178.62 1xjk h TYR 122 N -0.51 0.32 0.00 1.37 3.20 -0.92 -1.90 116.97 118.53 1xjk h TYR 122 Ca 0.05 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1xjk h TYR 122 Cb 0.65 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1xjk h TYR 122 CO -0.65 -0.24 -0.98 0.54 -1.64 0.00 0.00 178.16 175.19 1xjk n ARG 123 N -5.25 0.25 -0.22 1.82 1.74 -0.82 -3.99 116.66 110.17 1xjk n ARG 123 Ca 0.22 -0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.37 1xjk n ARG 123 Cb 0.70 -1.58 0.20 0.00 -1.02 0.00 0.00 32.46 30.76 1xjk n ARG 123 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xjk n SER 124 N -1.90 2.37 -4.67 0.55 3.41 0.35 -4.89 113.62 108.85 1xjk n SER 124 Ca 0.02 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.22 1xjk n SER 124 Cb 0.42 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1xjk n SER 124 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xjk s ARG 125 N -1.42 4.22 0.60 4.33 0.52 -1.20 -3.48 118.95 122.52 1xjk s ARG 125 Ca 0.30 2.02 0.07 0.00 -0.52 0.00 0.00 55.73 57.60 1xjk s ARG 125 Cb 0.16 -3.81 0.09 0.00 0.52 0.00 0.00 34.95 31.90 1xjk s ARG 125 CO 0.20 -0.74 0.82 0.54 0.02 0.00 0.00 175.30 176.15 1xjk s ASN 126 N 2.62 4.96 0.11 0.23 2.20 -0.71 -4.94 114.94 119.41 1xjk s ASN 126 Ca 0.67 -0.68 0.09 0.00 -0.94 0.00 0.00 52.86 52.00 1xjk s ASN 126 Cb -0.31 0.12 0.45 0.00 -2.00 0.00 0.00 41.25 39.52 1xjk s ASN 126 CO 0.26 -1.42 1.27 0.00 -2.94 0.00 0.00 177.10 174.26 1xjk n HIS 127 N -2.36 0.26 1.14 1.54 1.44 -1.26 -0.25 115.22 115.73 1xjk n HIS 127 Ca 0.15 0.13 0.12 0.00 -2.01 0.00 0.00 57.72 56.11 1xjk n HIS 127 Cb 0.61 -0.71 0.21 0.00 0.12 0.00 0.00 29.99 30.22 1xjk n HIS 127 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xjk n LEU 128 N -1.76 2.32 -2.95 2.39 4.77 -1.26 -4.64 117.00 115.86 1xjk n LEU 128 Ca -0.00 -0.78 -0.27 0.00 -0.03 0.00 0.00 56.01 54.93 1xjk n LEU 128 Cb 0.04 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1xjk n LEU 128 CO 0.05 0.39 2.65 1.57 -1.33 0.00 0.00 177.39 180.73 1xjk n HIS 129 N 0.68 1.53 -3.98 -1.77 -0.00 0.66 -4.85 115.22 107.49 1xjk n HIS 129 Ca 0.14 -2.35 -0.35 0.00 0.46 0.00 0.00 57.72 55.62 1xjk n HIS 129 Cb 0.50 -2.02 -0.12 0.00 -0.12 0.00 0.00 29.99 28.23 1xjk n HIS 129 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1xjk s MET 130 N 2.23 3.73 0.00 1.57 0.00 -1.25 -0.50 119.30 125.09 1xjk s MET 130 Ca 0.59 -0.46 0.01 0.00 0.00 0.00 0.00 55.69 55.84 1xjk s MET 130 Cb 0.19 -3.19 0.02 0.00 0.00 0.00 0.00 34.83 31.84 1xjk s MET 130 CO -0.04 0.03 0.98 1.28 0.00 0.00 0.00 175.02 177.28 1xjk n LEU 131 N 4.24 1.99 -4.75 4.11 4.77 -1.26 -4.61 117.00 121.48 1xjk n LEU 131 Ca -0.17 -1.93 -0.36 0.00 -0.03 0.00 0.00 56.01 53.53 1xjk n LEU 131 Cb 0.52 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1xjk n LEU 131 CO 0.32 0.50 -0.25 -0.44 -1.33 0.00 0.00 177.39 176.20 1xjk s SER 132 N -0.93 5.74 0.09 -1.43 0.01 -1.26 -3.01 113.70 112.90 1xjk s SER 132 Ca 0.01 0.25 -0.15 0.00 1.31 0.00 0.00 55.95 57.38 1xjk s SER 132 Cb 0.01 -1.79 -0.13 0.00 0.21 0.00 0.00 66.02 64.32 1xjk s SER 132 CO 0.01 0.35 1.34 0.00 0.41 0.00 0.00 173.24 175.35 1xjk h ALA 133 N 5.40 0.34 -3.29 1.44 0.00 -1.89 -3.42 119.26 117.84 1xjk h ALA 133 Ca -0.50 -0.49 -0.67 0.00 0.00 0.00 0.00 54.91 53.25 1xjk h ALA 133 Cb 1.20 -0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.64 1xjk h ALA 133 CO 0.59 0.51 -0.83 0.00 0.00 0.00 0.00 179.25 179.52 1xjk s PHE 135 N 0.47 1.36 -0.06 0.00 0.40 -0.21 -0.09 117.98 119.86 1xjk s PHE 135 Ca -0.13 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 1xjk s PHE 135 Cb -0.17 -0.77 0.02 0.00 0.51 0.00 0.00 43.02 42.61 1xjk s PHE 135 CO 0.05 0.08 -0.05 0.08 0.70 0.00 0.00 175.22 176.09 1xjk s VAL 136 N -1.12 0.63 0.05 -0.44 1.01 -0.59 -1.79 120.40 118.14 1xjk s VAL 136 Ca 0.01 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1xjk s VAL 136 Cb -0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1xjk s VAL 136 CO 0.02 0.26 -0.10 0.68 0.00 0.00 0.00 175.10 175.96 1xjk s VAL 137 N 1.13 3.39 0.75 2.92 -7.23 -1.13 0.12 120.40 120.35 1xjk s VAL 137 Ca -0.07 -1.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.96 1xjk s VAL 137 Cb -0.14 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.34 1xjk s VAL 137 CO -0.01 0.28 1.09 -2.16 -0.31 0.00 0.00 175.10 173.99 1xjk s PRO 138 N -1.70 2.49 -0.49 4.82 0.04 -1.26 -4.56 135.00 134.34 1xjk s PRO 138 Ca 0.18 0.61 0.03 0.00 0.04 0.00 0.00 61.00 61.86 1xjk s PRO 138 Cb -0.11 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.61 1xjk s PRO 138 CO 0.09 -1.33 0.30 0.08 0.04 0.00 0.00 177.00 176.19 1xjk s VAL 139 N -3.22 1.54 0.91 -0.36 1.01 -1.26 -4.75 120.40 114.27 1xjk s VAL 139 Ca 0.59 -2.92 -0.12 0.00 0.00 0.00 0.00 61.98 59.54 1xjk s VAL 139 Cb -0.13 -2.06 0.09 0.00 0.00 0.00 0.00 36.38 34.28 1xjk s VAL 139 CO 0.53 -0.97 0.86 0.61 0.00 0.00 0.00 175.10 176.13 1xjk n GLY 140 N 3.12 -0.98 2.58 4.51 0.00 -1.26 -4.47 105.19 108.70 1xjk n GLY 140 Ca 0.14 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1xjk n GLY 140 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xjk n ASP 141 N -2.91 7.13 -3.58 1.61 2.03 -1.26 -3.96 116.55 115.62 1xjk n ASP 141 Ca 0.10 -3.07 -0.17 0.00 0.52 0.00 0.00 54.79 52.18 1xjk n ASP 141 Cb 0.52 -1.42 -0.07 0.00 -0.72 0.00 0.00 41.12 39.43 1xjk n ASP 141 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xjk s SER 142 N 0.78 -0.56 0.25 1.67 1.04 -1.26 -4.95 113.70 110.66 1xjk s SER 142 Ca 0.51 0.63 -0.04 0.00 0.48 0.00 0.00 55.95 57.54 1xjk s SER 142 Cb 0.16 0.55 0.39 0.00 0.10 0.00 0.00 66.02 67.23 1xjk s SER 142 CO -0.06 -0.54 1.84 0.40 0.98 0.00 0.00 173.24 175.85 1xjk h ILE 143 N 3.28 0.98 -0.15 -1.02 1.08 -1.99 0.15 117.51 119.83 1xjk h ILE 143 Ca -0.28 -0.32 0.05 0.00 -0.39 0.00 0.00 64.86 63.92 1xjk h ILE 143 Cb 1.15 -0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 1xjk h ILE 143 CO 0.37 0.17 -0.30 -0.08 -0.69 0.00 0.00 178.15 177.61 1xjk h GLU 144 N 0.93 -0.35 -0.44 2.37 4.57 -1.96 -2.28 114.58 117.40 1xjk h GLU 144 Ca 0.41 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.48 1xjk h GLU 144 Cb 0.29 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1xjk h GLU 144 CO -0.21 -0.24 -0.24 0.93 -1.18 0.00 0.00 179.01 178.07 1xjk h GLU 145 N -0.37 0.91 -0.80 1.92 5.08 -1.58 -1.11 114.58 118.63 1xjk h GLU 145 Ca 0.10 -0.39 0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1xjk h GLU 145 Cb 0.53 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1xjk h GLU 145 CO -0.35 1.05 0.44 0.82 -1.00 0.00 0.00 179.01 179.96 1xjk h ILE 146 N 0.78 0.88 0.00 3.13 2.04 -0.53 -1.76 117.51 122.06 1xjk h ILE 146 Ca 0.10 -0.25 -0.20 0.00 1.00 0.00 0.00 64.86 65.52 1xjk h ILE 146 Cb 0.79 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1xjk h ILE 146 CO 0.07 0.13 -1.19 -0.26 0.00 0.00 0.00 178.15 176.90 1xjk h PHE 147 N 0.73 0.00 -0.74 1.37 0.04 -1.12 -1.53 116.94 115.68 1xjk h PHE 147 Ca 0.39 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.10 1xjk h PHE 147 Cb 0.39 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 1xjk h PHE 147 CO -0.08 0.77 0.21 1.49 -0.60 0.00 0.00 178.31 180.10 1xjk h GLU 148 N 0.00 1.16 -0.51 1.51 4.57 -1.18 -1.67 114.58 118.46 1xjk h GLU 148 Ca -0.12 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 57.76 1xjk h GLU 148 Cb 1.70 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 30.10 1xjk h GLU 148 CO 0.08 1.00 0.18 0.00 -1.18 0.00 0.00 179.01 179.09 1xjk h ALA 149 N 1.11 0.67 -0.43 2.92 0.00 -1.12 -0.47 119.26 121.94 1xjk h ALA 149 Ca 0.23 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1xjk h ALA 149 Cb 0.34 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1xjk h ALA 149 CO -0.00 0.31 0.17 0.28 0.00 0.00 0.00 179.25 180.00 1xjk h VAL 150 N 0.69 0.90 -0.09 0.00 2.07 -1.24 0.17 116.25 118.75 1xjk h VAL 150 Ca 0.17 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1xjk h VAL 150 Cb 0.25 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1xjk h VAL 150 CO -0.01 0.06 -0.16 0.50 0.02 0.00 0.00 177.57 177.99 1xjk h LYS 151 N 0.35 -0.21 -0.44 1.57 3.64 -0.89 -2.12 116.57 118.46 1xjk h LYS 151 Ca 0.20 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1xjk h LYS 151 Cb 0.16 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 1xjk h LYS 151 CO -0.18 -0.14 0.10 0.93 -2.27 0.00 0.00 179.45 177.89 1xjk h GLU 152 N -0.22 0.23 -0.73 1.90 5.08 -0.83 -0.96 114.58 119.06 1xjk h GLU 152 Ca 0.08 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.57 1xjk h GLU 152 Cb 0.34 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 1xjk h GLU 152 CO -0.22 0.15 0.26 1.88 -1.00 0.00 0.00 179.01 180.08 1xjk h TYR 153 N 0.24 0.43 -0.16 4.33 -1.99 -0.41 0.14 116.97 119.56 1xjk h TYR 153 Ca 0.21 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 1xjk h TYR 153 Cb 0.26 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 1xjk h TYR 153 CO -0.20 0.03 0.07 0.00 -0.00 0.00 0.00 178.16 178.06 1xjk h ALA 154 N 1.54 0.20 -0.55 3.88 0.00 -0.63 -0.73 119.26 122.98 1xjk h ALA 154 Ca 0.40 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1xjk h ALA 154 Cb 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1xjk h ALA 154 CO -0.42 -0.22 0.17 -0.07 0.00 0.00 0.00 179.25 178.72 1xjk h LEU 155 N 0.11 0.79 -0.48 0.00 3.38 -0.89 0.96 115.31 119.19 1xjk h LEU 155 Ca 0.05 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1xjk h LEU 155 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1xjk h LEU 155 CO -0.01 0.79 0.03 0.40 0.09 0.00 0.00 178.44 179.74 1xjk h ILE 156 N 0.76 1.26 -0.40 1.22 2.04 -0.94 -2.88 117.51 118.56 1xjk h ILE 156 Ca 0.18 -1.01 -0.15 0.00 1.00 0.00 0.00 64.86 64.88 1xjk h ILE 156 Cb 0.28 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1xjk h ILE 156 CO -0.01 0.35 -0.32 0.74 0.00 0.00 0.00 178.15 178.92 1xjk h THR 157 N 0.69 1.27 -0.39 -0.27 2.02 -0.97 0.21 112.91 115.47 1xjk h THR 157 Ca 0.14 -1.49 0.08 0.00 0.77 0.00 0.00 66.41 65.91 1xjk h THR 157 Cb 0.46 1.33 -0.08 0.00 -1.74 0.00 0.00 68.15 68.12 1xjk h THR 157 CO 0.02 0.50 -0.19 0.50 0.37 0.00 0.00 175.52 176.72 1xjk h LYS 158 N 0.75 -0.11 -0.00 6.66 3.64 -0.77 -2.92 116.57 123.82 1xjk h LYS 158 Ca 0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xjk h LYS 158 Cb 0.91 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1xjk h LYS 158 CO 0.08 -0.07 -0.21 1.33 -2.27 0.00 0.00 179.45 178.31 1xjk n VAL 159 N -5.37 0.00 0.00 2.00 0.24 -1.09 -4.92 118.33 109.19 1xjk n VAL 159 Ca 0.02 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1xjk n VAL 159 Cb 0.28 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1xjk n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xjk n GLY 160 N 1.35 1.05 3.90 7.63 0.00 -0.77 -4.71 105.19 113.65 1xjk n GLY 160 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1xjk n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xjk s GLY 161 N -1.53 1.93 -0.05 -0.02 0.00 -0.01 -4.87 107.32 102.79 1xjk s GLY 161 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 44.72 44.02 1xjk s GLY 161 CO 0.00 -0.49 0.31 -0.32 0.00 0.00 0.00 173.10 172.60 1xjk s GLY 162 N -3.00 2.36 0.05 0.20 0.00 0.51 -4.28 107.32 103.16 1xjk s GLY 162 Ca 0.43 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 44.83 1xjk s GLY 162 CO 0.28 -0.04 -0.16 0.54 0.00 0.00 0.00 173.10 173.72 1xjk s VAL 163 N -1.04 1.24 0.07 1.40 0.11 -1.26 -1.04 120.40 119.88 1xjk s VAL 163 Ca 0.20 -1.09 0.05 0.00 -2.93 0.00 0.00 61.98 58.21 1xjk s VAL 163 Cb -0.15 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1xjk s VAL 163 CO 0.10 0.01 -0.13 -0.83 -3.33 0.00 0.00 175.10 170.92 1xjk s GLY 164 N -1.25 0.80 -0.00 6.54 0.00 -0.74 -1.02 107.32 111.66 1xjk s GLY 164 Ca 0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.76 1xjk s GLY 164 CO 0.02 -1.00 0.04 -0.56 0.00 0.00 0.00 173.10 171.59 1xjk s SER 165 N -1.73 0.07 -0.31 1.64 0.01 0.46 -2.82 113.70 111.01 1xjk s SER 165 Ca -0.03 -0.17 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 1xjk s SER 165 Cb -0.10 0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.24 1xjk s SER 165 CO 0.02 -0.18 0.61 0.21 0.41 0.00 0.00 173.24 174.31 1xjk s ASN 166 N -0.75 6.47 -0.01 2.44 3.84 -1.26 -0.16 114.94 125.51 1xjk s ASN 166 Ca -0.08 0.38 0.05 0.00 0.21 0.00 0.00 52.86 53.41 1xjk s ASN 166 Cb -0.05 -2.32 0.15 0.00 -0.55 0.00 0.00 41.25 38.48 1xjk s ASN 166 CO -0.00 -0.47 1.06 0.49 -2.79 0.00 0.00 177.10 175.39 1xjk n PHE 167 N 5.86 0.26 0.65 0.43 3.01 0.60 -4.41 117.46 123.85 1xjk n PHE 167 Ca -0.02 -0.12 0.13 0.00 1.01 0.00 0.00 57.45 58.46 1xjk n PHE 167 Cb 0.49 -0.03 0.42 0.00 -0.01 0.00 0.00 39.48 40.35 1xjk n PHE 167 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1xjk n SER 168 N 0.00 0.76 0.23 4.37 7.64 -1.26 -2.32 113.62 123.04 1xjk n SER 168 Ca 0.06 0.57 0.08 0.00 1.01 0.00 0.00 58.87 60.58 1xjk n SER 168 Cb 0.19 -0.78 0.55 0.00 -1.01 0.00 0.00 64.21 63.16 1xjk n SER 168 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xjk h GLU 169 N 0.00 0.00 -6.38 1.43 4.39 -1.80 -3.43 114.58 108.80 1xjk h GLU 169 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1xjk h GLU 169 Cb 0.72 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.33 1xjk h GLU 169 CO 0.00 0.22 1.03 -0.51 -1.16 0.00 0.00 179.01 178.58 1xjk s LEU 170 N -7.86 3.81 0.37 1.33 1.43 -0.98 -4.37 118.68 112.42 1xjk s LEU 170 Ca -0.03 1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 54.03 1xjk s LEU 170 Cb 0.14 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.70 1xjk s LEU 170 CO 0.66 -1.20 0.82 -2.11 0.23 0.00 0.00 176.35 174.74 1xjk n ARG 171 N 7.57 0.99 -0.73 1.70 1.85 -1.26 -4.14 116.66 122.64 1xjk n ARG 171 Ca 0.16 0.35 -0.29 0.00 -1.00 0.00 0.00 57.85 57.08 1xjk n ARG 171 Cb 0.47 -1.74 0.22 0.00 -1.05 0.00 0.00 32.46 30.35 1xjk n ARG 171 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1xjk s PRO 172 N -1.69 -0.31 -0.06 2.89 0.04 -1.26 -3.97 135.00 130.64 1xjk s PRO 172 Ca 0.62 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1xjk s PRO 172 Cb -0.63 -1.62 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 1xjk s PRO 172 CO 0.58 -3.32 2.07 0.21 0.04 0.00 0.00 177.00 176.57 1xjk s LYS 173 N -4.61 3.76 0.00 4.56 2.20 -1.26 -2.28 119.74 122.11 1xjk s LYS 173 Ca 0.67 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.68 1xjk s LYS 173 Cb -0.23 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.84 1xjk s LYS 173 CO 0.62 -1.39 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 1xjk n GLY 174 N 5.01 1.94 3.54 5.54 0.00 -0.10 -4.95 105.19 116.17 1xjk n GLY 174 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1xjk n GLY 174 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xjk n SER 175 N 0.00 -0.35 -4.77 1.61 7.64 -0.96 -4.44 113.62 112.35 1xjk n SER 175 Ca 0.00 0.64 -0.41 0.00 1.01 0.00 0.00 58.87 60.11 1xjk n SER 175 Cb 0.00 -1.31 -0.01 0.00 -1.01 0.00 0.00 64.21 61.88 1xjk n SER 175 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1xjk s PHE 176 N -1.86 2.81 -0.14 1.43 2.19 -1.26 -1.50 117.98 119.65 1xjk s PHE 176 Ca 0.70 1.18 0.02 0.00 0.33 0.00 0.00 56.93 59.15 1xjk s PHE 176 Cb -0.35 -3.89 0.02 0.00 -1.31 0.00 0.00 43.02 37.48 1xjk s PHE 176 CO 0.54 -2.65 -0.19 0.08 1.83 0.00 0.00 175.22 174.83 1xjk s VAL 177 N -0.84 1.84 -0.54 3.12 1.01 -1.07 -4.76 120.40 119.17 1xjk s VAL 177 Ca 0.54 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 1xjk s VAL 177 Cb -0.44 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 1xjk s VAL 177 CO 0.55 0.51 2.24 0.00 0.00 0.00 0.00 175.10 178.40 1xjk s ALA 178 N 1.08 1.76 0.00 5.51 0.00 -1.26 -4.55 121.76 124.31 1xjk s ALA 178 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1xjk s ALA 178 Cb -0.14 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1xjk s ALA 178 CO -0.06 -4.35 0.00 0.41 0.00 0.00 0.00 175.76 171.77 1xjk n GLY 179 N 5.94 0.33 2.12 0.00 0.00 -1.26 -5.09 105.19 107.23 1xjk n GLY 179 Ca 0.32 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1xjk n GLY 179 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xjk n THR 180 N 0.00 0.00 0.23 2.61 -1.04 -1.26 -4.96 114.28 109.86 1xjk n THR 180 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1xjk n THR 180 Cb 0.00 -0.25 0.19 0.00 -1.82 0.00 0.00 70.33 68.45 1xjk n THR 180 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1xjk n HIS 181 N -3.44 0.09 0.00 -1.42 8.25 -1.26 -4.89 115.22 112.55 1xjk n HIS 181 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1xjk n HIS 181 Cb 0.00 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.54 1xjk n HIS 181 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xjk n GLY 182 N -0.81 2.35 3.21 -1.41 0.00 -1.26 -5.05 105.19 102.22 1xjk n GLY 182 Ca 0.01 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 1xjk n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjk s LYS 183 N 0.00 1.24 0.33 1.61 1.02 -1.26 -2.59 119.74 120.09 1xjk s LYS 183 Ca 0.00 -0.87 -0.29 0.00 0.02 0.00 0.00 55.97 54.83 1xjk s LYS 183 Cb 0.00 -1.32 -0.10 0.00 -0.52 0.00 0.00 37.83 35.88 1xjk s LYS 183 CO 0.00 0.34 1.34 0.00 -0.92 0.00 0.00 175.35 176.11 1xjk s ALA 184 N -0.80 3.52 -0.53 5.17 0.00 -0.57 -4.87 121.76 123.68 1xjk s ALA 184 Ca 0.06 1.30 0.24 0.00 0.00 0.00 0.00 51.96 53.56 1xjk s ALA 184 Cb -0.08 -3.50 0.30 0.00 0.00 0.00 0.00 23.12 19.83 1xjk s ALA 184 CO 0.02 -0.70 1.32 0.66 0.00 0.00 0.00 175.76 177.05 1xjk h SER 185 N 3.55 0.00 -4.86 0.00 4.64 -1.87 -0.24 113.55 114.77 1xjk h SER 185 Ca -0.49 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1xjk h SER 185 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1xjk h SER 185 CO 0.67 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 1xjk n GLY 186 N 1.28 1.24 0.24 -0.77 0.00 -1.25 -4.26 105.19 101.66 1xjk n GLY 186 Ca 0.03 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.18 1xjk n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjk h PRO 187 N 0.00 0.23 -0.43 1.61 0.13 -1.72 -2.76 132.00 129.06 1xjk h PRO 187 Ca 0.00 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 1xjk h PRO 187 Cb 0.00 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 1xjk h PRO 187 CO 0.00 0.15 -0.18 0.28 -0.23 0.00 0.00 178.00 178.02 1xjk h VAL 188 N 0.24 1.28 -0.80 1.56 2.07 -1.94 -1.73 116.25 116.92 1xjk h VAL 188 Ca 0.33 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.58 1xjk h VAL 188 Cb 0.51 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1xjk h VAL 188 CO -0.44 0.45 0.49 0.77 0.02 0.00 0.00 177.57 178.86 1xjk h SER 189 N 0.71 0.78 -0.38 0.57 4.64 -1.70 -2.35 113.55 115.81 1xjk h SER 189 Ca 0.10 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 1xjk h SER 189 Cb 0.74 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1xjk h SER 189 CO 0.06 0.51 0.02 -0.26 -0.87 0.00 0.00 176.83 176.28 1xjk h PHE 190 N 0.91 0.80 -0.13 4.77 0.04 -1.38 -2.72 116.94 119.22 1xjk h PHE 190 Ca 0.35 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 61.05 1xjk h PHE 190 Cb 0.14 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1xjk h PHE 190 CO -0.04 0.73 0.20 0.52 -0.60 0.00 0.00 178.31 179.12 1xjk h MET 191 N 0.71 0.00 -0.30 1.51 2.86 -0.77 -1.42 114.93 117.53 1xjk h MET 191 Ca 0.14 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.67 1xjk h MET 191 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1xjk h MET 191 CO 0.01 0.00 -0.29 0.45 1.06 0.00 0.00 176.91 178.14 1xjk h HIS 192 N 0.00 0.71 -0.52 -0.22 3.86 -1.38 0.85 115.15 118.45 1xjk h HIS 192 Ca 0.06 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 1xjk h HIS 192 Cb 0.46 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 1xjk h HIS 192 CO 0.00 0.84 0.19 0.28 0.86 0.00 0.00 177.93 180.10 1xjk h VAL 193 N 0.53 1.22 -0.28 2.45 2.07 -1.37 0.05 116.25 120.92 1xjk h VAL 193 Ca 0.07 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1xjk h VAL 193 Cb 0.77 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1xjk h VAL 193 CO 0.06 0.27 0.14 -0.26 0.02 0.00 0.00 177.57 177.80 1xjk h PHE 194 N 0.71 0.41 -0.32 1.57 0.04 -1.26 0.04 116.94 118.13 1xjk h PHE 194 Ca 0.17 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.98 1xjk h PHE 194 Cb 0.24 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 1xjk h PHE 194 CO 0.01 0.37 -0.01 -0.97 -0.60 0.00 0.00 178.31 177.11 1xjk h ASN 195 N 0.33 -0.15 -0.57 2.17 -1.24 -0.60 -1.40 115.58 114.13 1xjk h ASN 195 Ca 0.10 0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.24 1xjk h ASN 195 Cb 0.11 0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.24 1xjk h ASN 195 CO -0.01 -0.04 0.28 0.28 -1.29 0.00 0.00 177.43 176.65 1xjk h SER 196 N 0.08 0.38 -0.56 1.15 0.02 -0.81 -0.64 113.55 113.17 1xjk h SER 196 Ca 0.15 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1xjk h SER 196 Cb 0.21 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1xjk h SER 196 CO -0.26 0.25 0.34 0.00 -1.14 0.00 0.00 176.83 176.01 1xjk h ALA 197 N 1.33 0.72 -0.02 3.77 0.00 -0.53 -2.64 119.26 121.87 1xjk h ALA 197 Ca 0.26 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 1xjk h ALA 197 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xjk h ALA 197 CO -0.20 0.06 -0.92 0.82 0.00 0.00 0.00 179.25 179.01 1xjk h ILE 198 N 0.67 1.37 -0.01 0.00 1.08 -0.87 -1.30 117.51 118.45 1xjk h ILE 198 Ca 0.22 -2.35 0.00 0.00 -0.39 0.00 0.00 64.86 62.35 1xjk h ILE 198 Cb 0.02 2.34 -0.00 0.00 -3.07 0.00 0.00 36.82 36.11 1xjk h ILE 198 CO -0.10 0.71 0.02 0.77 -0.69 0.00 0.00 178.15 178.86 1xjk h SER 199 N 0.28 0.00 0.01 1.72 4.64 -0.99 0.12 113.55 119.33 1xjk h SER 199 Ca -0.08 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.04 1xjk h SER 199 Cb 1.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.61 1xjk h SER 199 CO 0.16 0.00 -1.07 0.58 -0.87 0.00 0.00 176.83 175.64 1xjk h VAL 200 N 0.00 1.06 -0.85 0.95 2.07 -1.08 -3.19 116.25 115.21 1xjk h VAL 200 Ca 0.01 -2.22 0.11 0.00 0.82 0.00 0.00 66.70 65.42 1xjk h VAL 200 Cb 0.04 2.44 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 1xjk h VAL 200 CO -0.00 0.38 0.48 0.58 0.02 0.00 0.00 177.57 179.04 1xjk h VAL 201 N -0.96 0.87 -0.08 2.57 2.07 -0.98 -1.88 116.25 117.86 1xjk h VAL 201 Ca -0.29 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1xjk h VAL 201 Cb 1.28 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1xjk h VAL 201 CO -0.16 0.14 0.00 0.29 0.02 0.00 0.00 177.57 177.86 1xjk n LYS 202 N -4.76 1.23 -1.27 1.57 5.02 0.41 -4.97 118.16 115.39 1xjk n LYS 202 Ca 0.15 -0.35 -0.32 0.00 -2.02 0.00 0.00 58.31 55.77 1xjk n LYS 202 Cb 0.32 -1.20 0.08 0.00 -0.02 0.00 0.00 35.03 34.21 1xjk n LYS 202 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xjk n GLN 203 N -0.32 2.56 0.00 1.97 10.64 -0.71 -5.03 117.38 126.48 1xjk n GLN 203 Ca 0.09 -3.05 0.00 0.00 -1.83 0.00 0.00 57.00 52.21 1xjk n GLN 203 Cb 0.11 -2.20 0.00 0.00 -0.86 0.00 0.00 30.24 27.30 1xjk n GLN 203 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xjk n ALA 210 N -0.76 0.00 -2.42 2.61 0.00 -1.05 -5.06 120.51 113.83 1xjk n ALA 210 Ca 0.58 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.81 1xjk n ALA 210 Cb 0.68 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 1xjk n ALA 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xjk s LEU 211 N 0.00 2.58 -0.08 0.00 1.43 -0.65 -4.26 118.68 117.69 1xjk s LEU 211 Ca 0.00 -1.05 0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1xjk s LEU 211 Cb 0.00 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1xjk s LEU 211 CO 0.00 -0.09 -0.15 -0.32 0.23 0.00 0.00 176.35 176.02 1xjk s MET 212 N -3.59 2.80 -0.08 1.70 -2.45 -0.19 -0.18 119.30 117.32 1xjk s MET 212 Ca 0.27 -0.72 0.00 0.00 -1.25 0.00 0.00 55.69 54.00 1xjk s MET 212 Cb -0.02 -2.44 0.02 0.00 1.25 0.00 0.00 34.83 33.64 1xjk s MET 212 CO 0.11 0.46 -0.06 0.20 1.05 0.00 0.00 175.02 176.78 1xjk s GLY 213 N -0.31 0.67 -0.02 2.11 0.00 -0.47 -0.41 107.32 108.90 1xjk s GLY 213 Ca 0.02 -0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.45 1xjk s GLY 213 CO 0.03 0.67 -0.12 -0.42 0.00 0.00 0.00 173.10 173.25 1xjk s ILE 214 N 1.40 3.25 -0.06 0.90 1.01 0.77 -2.06 121.20 126.41 1xjk s ILE 214 Ca -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1xjk s ILE 214 Cb -0.13 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 40.01 1xjk s ILE 214 CO -0.04 0.49 -0.11 -0.22 0.00 0.00 0.00 174.94 175.06 1xjk s LEU 215 N -1.07 1.65 0.69 2.97 2.96 -1.17 -0.29 118.68 124.42 1xjk s LEU 215 Ca 0.14 -0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 53.61 1xjk s LEU 215 Cb -0.11 -0.77 0.02 0.00 0.50 0.00 0.00 46.19 45.83 1xjk s LEU 215 CO 0.03 0.04 1.22 0.20 -1.32 0.00 0.00 176.35 176.52 1xjk s ASN 216 N 0.60 4.43 0.32 3.68 0.01 -1.26 -1.72 114.94 120.99 1xjk s ASN 216 Ca -0.13 2.41 -0.01 0.00 -0.71 0.00 0.00 52.86 54.43 1xjk s ASN 216 Cb -0.15 -2.60 0.51 0.00 0.41 0.00 0.00 41.25 39.43 1xjk s ASN 216 CO 0.03 -2.11 1.98 -0.29 -1.51 0.00 0.00 177.10 175.20 1xjk h ILE 217 N 0.04 1.20 -0.25 0.60 6.09 -1.39 -2.80 117.51 120.99 1xjk h ILE 217 Ca -0.49 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 62.63 1xjk h ILE 217 Cb 1.30 0.10 0.00 0.00 0.47 0.00 0.00 36.82 38.69 1xjk h ILE 217 CO 0.51 0.19 0.00 -0.46 -3.07 0.00 0.00 178.15 175.32 1xjk n ASN 218 N -4.41 1.33 -4.72 2.19 0.23 -1.26 -4.86 115.26 103.76 1xjk n ASN 218 Ca 0.08 -1.98 -0.42 0.00 -0.53 0.00 0.00 54.58 51.73 1xjk n ASN 218 Cb 0.04 -0.16 -0.03 0.00 -2.08 0.00 0.00 39.78 37.54 1xjk n ASN 218 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1xjk s HIS 219 N -1.67 3.39 0.61 -2.53 2.46 -1.06 -1.50 115.29 114.98 1xjk s HIS 219 Ca 0.17 1.25 0.28 0.00 0.47 0.00 0.00 55.06 57.24 1xjk s HIS 219 Cb 0.09 -3.48 1.42 0.00 -0.13 0.00 0.00 32.58 30.48 1xjk s HIS 219 CO 0.12 -1.51 1.83 -1.35 -2.47 0.00 0.00 174.74 171.36 1xjk h PRO 220 N 6.40 0.00 -0.64 2.88 0.11 -1.84 -0.90 132.00 138.02 1xjk h PRO 220 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xjk h PRO 220 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xjk h PRO 220 CO 0.81 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.35 1xjk n ASP 221 N -3.50 4.45 -0.36 -2.05 8.00 -1.26 -4.60 116.55 117.23 1xjk n ASP 221 Ca 0.08 -2.48 0.06 0.00 0.71 0.00 0.00 54.79 53.15 1xjk n ASP 221 Cb 0.71 -0.57 0.22 0.00 -0.02 0.00 0.00 41.12 41.45 1xjk n ASP 221 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xjk h ILE 222 N 3.61 0.97 -0.29 0.53 6.09 -1.45 0.65 117.51 127.62 1xjk h ILE 222 Ca 0.00 -0.36 -0.08 0.00 -1.37 0.00 0.00 64.86 63.05 1xjk h ILE 222 Cb 1.41 -0.16 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 1xjk h ILE 222 CO 0.25 0.19 -0.13 -0.33 -3.07 0.00 0.00 178.15 175.06 1xjk h GLU 223 N 1.04 0.60 -0.36 2.19 5.08 -1.83 0.15 114.58 121.45 1xjk h GLU 223 Ca 0.47 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1xjk h GLU 223 Cb 0.39 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1xjk h GLU 223 CO -0.24 0.83 0.08 1.49 -1.00 0.00 0.00 179.01 180.17 1xjk h GLU 224 N 0.36 0.20 -0.56 2.33 4.81 -1.82 -2.40 114.58 117.49 1xjk h GLU 224 Ca 0.07 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1xjk h GLU 224 Cb 0.64 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1xjk h GLU 224 CO 0.04 0.13 0.32 0.35 -0.73 0.00 0.00 179.01 179.13 1xjk h PHE 225 N 0.21 0.60 -0.56 0.92 3.57 -0.49 -0.74 116.94 120.45 1xjk h PHE 225 Ca 0.17 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1xjk h PHE 225 Cb 0.19 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1xjk h PHE 225 CO -0.18 0.32 0.23 0.82 -2.23 0.00 0.00 178.31 177.27 1xjk h ILE 226 N 0.63 1.20 -0.00 1.41 2.04 -0.49 -0.94 117.51 121.35 1xjk h ILE 226 Ca 0.24 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1xjk h ILE 226 Cb 0.08 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1xjk h ILE 226 CO -0.13 0.25 -0.13 0.47 0.00 0.00 0.00 178.15 178.61 1xjk n ASP 227 N -4.34 0.60 0.06 1.72 8.00 -0.92 -4.52 116.55 117.14 1xjk n ASP 227 Ca 0.05 -0.67 0.21 0.00 0.71 0.00 0.00 54.79 55.09 1xjk n ASP 227 Cb 0.16 -0.03 0.74 0.00 -0.02 0.00 0.00 41.12 41.96 1xjk n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xjk h ALA 228 N 3.66 2.23 -0.15 2.24 0.00 0.32 -0.94 119.26 126.61 1xjk h ALA 228 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xjk h ALA 228 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xjk h ALA 228 CO 0.00 -0.68 0.00 1.63 0.00 0.00 0.00 179.25 180.20 1xjk n LYS 229 N -3.86 1.60 -2.01 0.00 5.02 -1.26 -4.51 118.16 113.13 1xjk n LYS 229 Ca 0.08 -1.65 -0.41 0.00 -2.02 0.00 0.00 58.31 54.32 1xjk n LYS 229 Cb 0.64 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.32 1xjk n LYS 229 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xjk s LYS 230 N -1.17 4.27 0.00 1.97 2.20 -0.36 -4.96 119.74 121.69 1xjk s LYS 230 Ca 0.22 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 1xjk s LYS 230 Cb 0.14 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 1xjk s LYS 230 CO 0.19 -0.39 0.00 -1.91 -0.36 0.00 0.00 175.35 172.88 1xjk n GLU 231 N 1.97 0.00 -1.55 4.03 0.00 -1.26 -4.99 120.64 118.84 1xjk n GLU 231 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1xjk n GLU 231 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.84 1xjk n GLU 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xjk n ALA 236 N 0.00 -1.09 -3.60 4.31 0.00 -1.26 -5.25 120.51 113.62 1xjk n ALA 236 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1xjk n ALA 236 Cb 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 1xjk n ALA 236 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1xjk s VAL 237 N -0.64 0.00 -0.42 0.00 -7.23 -1.26 -5.07 120.40 105.78 1xjk s VAL 237 Ca 0.00 -0.06 0.10 0.00 -1.81 0.00 0.00 61.98 60.22 1xjk s VAL 237 Cb 0.00 -1.66 0.35 0.00 0.56 0.00 0.00 36.38 35.63 1xjk s VAL 237 CO 0.00 0.00 0.80 0.18 -0.31 0.00 0.00 175.10 175.77 1xjk n LEU 238 N -0.34 1.85 0.32 1.32 4.77 -1.26 -4.94 117.00 118.72 1xjk n LEU 238 Ca -0.05 -5.13 0.19 0.00 -0.03 0.00 0.00 56.01 50.99 1xjk n LEU 238 Cb 0.61 0.36 1.01 0.00 -2.33 0.00 0.00 43.42 43.07 1xjk n LEU 238 CO 0.10 2.27 1.13 -0.55 -1.33 0.00 0.00 177.39 179.02 1xjk h ASN 239 N 2.99 0.00 -0.03 -1.43 7.08 -1.96 -0.08 115.58 122.15 1xjk h ASN 239 Ca 0.10 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.32 1xjk h ASN 239 Cb 0.86 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.10 1xjk h ASN 239 CO 0.59 0.00 0.00 0.49 -2.08 0.00 0.00 177.43 176.43 1xjk n PHE 240 N -2.92 0.02 -4.18 4.14 3.01 -1.26 -4.84 117.46 111.43 1xjk n PHE 240 Ca -0.02 -0.01 -0.35 0.00 1.01 0.00 0.00 57.45 58.08 1xjk n PHE 240 Cb 0.19 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.58 1xjk n PHE 240 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1xjk s PHE 241 N -1.98 3.31 -0.08 1.38 0.40 -0.04 -1.64 117.98 119.32 1xjk s PHE 241 Ca 0.35 0.29 -0.18 0.00 -0.60 0.00 0.00 56.93 56.79 1xjk s PHE 241 Cb 0.21 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 1xjk s PHE 241 CO 0.32 0.56 0.49 -0.80 0.70 0.00 0.00 175.22 176.49 1xjk s ASN 242 N -1.11 6.76 -0.15 1.36 0.01 0.75 -4.76 114.94 117.81 1xjk s ASN 242 Ca 0.16 0.91 -0.04 0.00 -0.71 0.00 0.00 52.86 53.18 1xjk s ASN 242 Cb -0.12 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 1xjk s ASN 242 CO 0.05 0.07 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.93 1xjk s LEU 243 N 0.19 3.32 0.02 0.60 1.43 -1.26 -1.36 118.68 121.61 1xjk s LEU 243 Ca 0.27 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.34 1xjk s LEU 243 Cb -0.16 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1xjk s LEU 243 CO 0.12 0.20 -0.18 -0.44 0.23 0.00 0.00 176.35 176.28 1xjk s SER 244 N 0.20 2.10 -0.10 2.29 0.01 -0.87 -0.31 113.70 117.01 1xjk s SER 244 Ca -0.01 -0.44 -0.26 0.00 1.31 0.00 0.00 55.95 56.55 1xjk s SER 244 Cb -0.14 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 1xjk s SER 244 CO 0.03 0.14 0.83 -0.69 0.41 0.00 0.00 173.24 173.96 1xjk s VAL 245 N -0.69 4.92 0.27 3.43 1.01 0.15 -3.01 120.40 126.48 1xjk s VAL 245 Ca 0.06 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 63.60 1xjk s VAL 245 Cb -0.08 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 1xjk s VAL 245 CO 0.01 0.12 0.64 -0.83 0.00 0.00 0.00 175.10 175.04 1xjk s GLY 246 N 1.01 2.31 -0.40 4.51 0.00 -0.70 -0.62 107.32 113.44 1xjk s GLY 246 Ca 0.41 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.04 1xjk s GLY 246 CO 0.18 0.07 0.26 -1.36 0.00 0.00 0.00 173.10 172.24 1xjk s PHE 247 N -1.89 1.24 -0.18 1.90 0.08 -0.45 -0.95 117.98 117.73 1xjk s PHE 247 Ca 0.50 -2.05 0.29 0.00 0.12 0.00 0.00 56.93 55.79 1xjk s PHE 247 Cb -0.11 -1.23 0.91 0.00 -0.57 0.00 0.00 43.02 42.01 1xjk s PHE 247 CO 0.19 -0.80 1.81 -1.00 -0.10 0.00 0.00 175.22 175.32 1xjk h PRO 248 N 6.56 0.00 -6.97 0.24 0.13 -1.91 0.05 132.00 130.11 1xjk h PRO 248 Ca 0.09 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.78 1xjk h PRO 248 Cb 0.94 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.12 1xjk h PRO 248 CO 0.36 0.00 0.04 0.00 -0.23 0.00 0.00 178.00 178.17 1xjk s MET 249 N -3.44 2.45 0.20 0.86 0.23 -1.26 -3.70 119.30 114.63 1xjk s MET 249 Ca 0.04 -0.63 -0.33 0.00 -1.03 0.00 0.00 55.69 53.75 1xjk s MET 249 Cb 0.07 -2.40 -0.14 0.00 -1.53 0.00 0.00 34.83 30.84 1xjk s MET 249 CO 0.59 -0.86 1.48 -0.25 -2.03 0.00 0.00 175.02 173.95 1xjk n ASP 250 N -2.50 2.84 -0.33 -1.18 8.00 -1.26 -4.19 116.55 117.92 1xjk n ASP 250 Ca 0.08 1.12 0.17 0.00 0.71 0.00 0.00 54.79 56.87 1xjk n ASP 250 Cb 0.60 -1.41 0.40 0.00 -0.02 0.00 0.00 41.12 40.69 1xjk n ASP 250 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1xjk h LYS 251 N 4.96 0.57 -0.12 -1.24 1.57 -1.91 -2.28 116.57 118.13 1xjk h LYS 251 Ca -0.45 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.32 1xjk h LYS 251 Cb 1.27 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.39 1xjk h LYS 251 CO 0.81 0.38 -0.53 0.87 -0.57 0.00 0.00 179.45 180.41 1xjk h LYS 252 N 0.59 -0.56 -0.94 3.15 1.57 -1.89 -0.21 116.57 118.27 1xjk h LYS 252 Ca 0.60 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.56 1xjk h LYS 252 Cb 1.18 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.54 1xjk h LYS 252 CO -0.37 -0.37 0.60 0.93 -0.57 0.00 0.00 179.45 179.66 1xjk h GLU 253 N -0.58 0.77 0.15 3.15 5.08 -1.79 -1.75 114.58 119.61 1xjk h GLU 253 Ca 0.03 -0.05 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1xjk h GLU 253 Cb 0.67 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 29.77 1xjk h GLU 253 CO -0.42 0.51 -1.28 0.82 -1.00 0.00 0.00 179.01 177.64 1xjk h ILE 254 N 0.80 1.35 0.18 3.13 1.08 -1.18 -1.59 117.51 121.28 1xjk h ILE 254 Ca 0.48 -2.67 -0.01 0.00 -0.39 0.00 0.00 64.86 62.27 1xjk h ILE 254 Cb 0.67 2.83 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 1xjk h ILE 254 CO -0.24 0.80 -0.09 0.25 -0.69 0.00 0.00 178.15 178.18 1xjk h LEU 255 N 0.19 -0.21 -0.21 1.44 5.85 -0.71 -2.40 115.31 119.26 1xjk h LEU 255 Ca -0.18 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1xjk h LEU 255 Cb 1.97 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 43.00 1xjk h LEU 255 CO 0.23 -0.05 -0.12 0.50 -0.34 0.00 0.00 178.44 178.67 1xjk h LYS 256 N -0.36 -0.10 -0.99 1.25 3.64 -1.38 -1.11 116.57 117.53 1xjk h LYS 256 Ca -0.03 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1xjk h LYS 256 Cb 0.28 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 1xjk h LYS 256 CO 0.04 -0.06 0.63 1.25 -2.27 0.00 0.00 179.45 179.04 1xjk h LEU 257 N -0.10 0.95 -0.18 5.20 6.46 -1.28 0.32 115.31 126.67 1xjk h LEU 257 Ca 0.12 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1xjk h LEU 257 Cb 0.28 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1xjk h LEU 257 CO -0.28 0.55 -0.04 0.22 -0.62 0.00 0.00 178.44 178.27 1xjk h TYR 258 N 1.04 0.39 -0.82 1.25 5.03 -0.83 1.23 116.97 124.27 1xjk h TYR 258 Ca 0.47 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.65 1xjk h TYR 258 Cb 0.38 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.52 1xjk h TYR 258 CO -0.00 0.60 0.35 0.93 -1.32 0.00 0.00 178.16 178.72 1xjk h GLU 259 N 0.07 1.20 -0.16 1.82 5.08 -0.45 -0.31 114.58 121.83 1xjk h GLU 259 Ca 0.05 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1xjk h GLU 259 Cb 0.47 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xjk h GLU 259 CO 0.02 0.95 0.00 0.39 -1.00 0.00 0.00 179.01 179.37 1xjk n GLU 260 N -4.29 1.24 -4.27 2.33 1.02 0.03 -4.92 120.64 111.77 1xjk n GLU 260 Ca 0.08 -0.34 -0.34 0.00 -0.02 0.00 0.00 57.16 56.53 1xjk n GLU 260 Cb 0.17 -1.12 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 1xjk n GLU 260 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xjk n ASP 261 N -0.20 -1.12 -3.13 1.62 -0.08 -0.13 -4.95 116.55 108.56 1xjk n ASP 261 Ca 0.03 -1.14 -0.18 0.00 -1.51 0.00 0.00 54.79 51.99 1xjk n ASP 261 Cb 0.10 -2.21 0.15 0.00 2.34 0.00 0.00 41.12 41.50 1xjk n ASP 261 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xjk n GLY 262 N -1.78 -2.78 3.34 0.27 0.00 0.42 -4.87 105.19 99.81 1xjk n GLY 262 Ca -0.11 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1xjk n GLY 262 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xjk s GLU 263 N -4.45 1.66 -0.17 1.61 2.02 -1.26 -2.45 118.70 115.66 1xjk s GLU 263 Ca 0.42 -1.15 -0.03 0.00 0.02 0.00 0.00 54.97 54.23 1xjk s GLU 263 Cb -0.04 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.26 1xjk s GLU 263 CO 0.33 0.48 -0.05 -1.17 0.02 0.00 0.00 175.26 174.87 1xjk s LEU 264 N -1.42 3.06 -0.40 1.80 2.96 -0.43 -4.86 118.68 119.39 1xjk s LEU 264 Ca 0.12 -0.24 -0.28 0.00 -0.22 0.00 0.00 54.13 53.50 1xjk s LEU 264 Cb -0.10 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1xjk s LEU 264 CO 0.03 0.11 1.07 -0.70 -1.32 0.00 0.00 176.35 175.54 1xjk s GLU 265 N 0.71 3.86 -0.33 1.98 2.56 -1.26 -2.50 118.70 123.71 1xjk s GLU 265 Ca -0.03 0.73 -0.29 0.00 0.00 0.00 0.00 54.97 55.39 1xjk s GLU 265 Cb -0.15 -3.83 0.01 0.00 2.00 0.00 0.00 34.13 32.17 1xjk s GLU 265 CO 0.02 -1.13 1.16 -0.51 -0.56 0.00 0.00 175.26 174.24 1xjk s LEU 266 N 3.98 3.89 0.22 2.70 1.43 -0.25 -4.84 118.68 125.80 1xjk s LEU 266 Ca 0.45 1.05 -0.06 0.00 -1.03 0.00 0.00 54.13 54.54 1xjk s LEU 266 Cb -0.10 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1xjk s LEU 266 CO 0.24 -0.99 0.28 -0.94 0.23 0.00 0.00 176.35 175.16 1xjk s SER 267 N 2.15 0.05 -0.04 2.29 1.04 -0.56 -2.29 113.70 116.32 1xjk s SER 267 Ca 0.50 -1.19 -0.04 0.00 0.48 0.00 0.00 55.95 55.70 1xjk s SER 267 Cb -0.13 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.46 1xjk s SER 267 CO 0.20 -0.96 0.11 -2.28 0.98 0.00 0.00 173.24 171.29 1xjk s HIS 268 N -4.10 -0.12 0.08 5.02 2.46 -1.26 -4.28 115.29 113.09 1xjk s HIS 268 Ca 0.32 0.30 -0.22 0.00 0.47 0.00 0.00 55.06 55.92 1xjk s HIS 268 Cb 0.04 0.04 -0.13 0.00 -0.13 0.00 0.00 32.58 32.40 1xjk s HIS 268 CO 0.11 -0.06 1.67 -1.00 -2.47 0.00 0.00 174.74 172.99 1xjk h PRO 269 N 5.99 0.09 -1.86 2.88 0.13 -1.96 -3.01 132.00 134.26 1xjk h PRO 269 Ca -0.25 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.72 1xjk h PRO 269 Cb 1.20 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1xjk h PRO 269 CO 0.44 0.14 0.10 0.54 -0.23 0.00 0.00 178.00 178.99 1xjk n ARG 270 N -5.00 1.44 -3.83 0.86 1.74 -1.26 -4.82 116.66 105.79 1xjk n ARG 270 Ca -0.06 -0.72 -0.09 0.00 -0.77 0.00 0.00 57.85 56.22 1xjk n ARG 270 Cb 0.07 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1xjk n ARG 270 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xjk s SER 271 N 1.36 -0.22 0.00 0.55 0.15 -1.14 -4.81 113.70 109.60 1xjk s SER 271 Ca 0.20 -0.62 0.04 0.00 0.70 0.00 0.00 55.95 56.28 1xjk s SER 271 Cb 0.13 0.61 0.06 0.00 -1.71 0.00 0.00 66.02 65.11 1xjk s SER 271 CO -0.01 -1.14 0.75 0.35 1.20 0.00 0.00 173.24 174.39 1xjk n THR 272 N -0.38 0.25 -1.92 6.45 -2.24 -1.26 -4.77 114.28 110.41 1xjk n THR 272 Ca -0.07 -0.62 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 1xjk n THR 272 Cb 0.62 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 1xjk n THR 272 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xjk s ILE 273 N -0.53 3.40 0.17 2.28 1.01 -1.26 -4.98 121.20 121.29 1xjk s ILE 273 Ca 0.06 0.44 0.07 0.00 0.00 0.00 0.00 60.65 61.22 1xjk s ILE 273 Cb 0.04 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1xjk s ILE 273 CO 0.06 -0.23 -0.15 -0.13 0.00 0.00 0.00 174.94 174.49 1xjk s ARG 274 N 5.29 1.22 -0.08 2.79 0.52 -1.26 -4.19 118.95 123.23 1xjk s ARG 274 Ca 0.82 -1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 54.28 1xjk s ARG 274 Cb -0.28 -1.07 0.11 0.00 0.52 0.00 0.00 34.95 34.23 1xjk s ARG 274 CO 0.33 0.19 0.95 0.21 0.02 0.00 0.00 175.30 177.01 1xjk s LYS 275 N -3.22 0.69 -0.07 3.54 2.20 -0.97 -5.01 119.74 116.90 1xjk s LYS 275 Ca 0.17 -0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1xjk s LYS 275 Cb -0.03 0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 36.62 1xjk s LYS 275 CO 0.05 -0.27 -0.19 0.15 -0.36 0.00 0.00 175.35 174.73 1xjk s LYS 276 N -2.22 2.24 0.07 4.03 1.02 -1.26 -1.10 119.74 122.53 1xjk s LYS 276 Ca 0.02 -0.70 0.05 0.00 0.02 0.00 0.00 55.97 55.36 1xjk s LYS 276 Cb -0.01 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1xjk s LYS 276 CO -0.04 0.21 -0.13 0.14 -0.92 0.00 0.00 175.35 174.61 1xjk s VAL 277 N 0.20 1.03 -0.19 3.17 -7.23 -1.04 -5.00 120.40 111.34 1xjk s VAL 277 Ca -0.10 -1.35 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 1xjk s VAL 277 Cb -0.14 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.70 1xjk s VAL 277 CO 0.05 -0.30 1.45 -0.54 -0.31 0.00 0.00 175.10 175.44 1xjk s LYS 278 N -1.92 4.03 0.51 4.82 1.02 -1.26 -1.31 119.74 125.63 1xjk s LYS 278 Ca -0.01 1.67 0.34 0.00 0.02 0.00 0.00 55.97 57.98 1xjk s LYS 278 Cb -0.09 -3.91 1.47 0.00 -0.52 0.00 0.00 37.83 34.79 1xjk s LYS 278 CO 0.02 -0.99 1.77 0.97 -0.92 0.00 0.00 175.35 176.20 1xjk h ILE 279 N 5.80 0.38 -0.10 2.17 6.09 -1.81 0.19 117.51 130.24 1xjk h ILE 279 Ca -0.31 -0.03 -0.15 0.00 -1.37 0.00 0.00 64.86 63.00 1xjk h ILE 279 Cb 1.13 0.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 1xjk h ILE 279 CO 0.99 0.01 -0.60 0.03 -3.07 0.00 0.00 178.15 175.51 1xjk h ARG 280 N 0.08 0.32 -0.48 2.19 3.08 -1.89 -2.35 114.38 115.34 1xjk h ARG 280 Ca 0.61 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 60.31 1xjk h ARG 280 Cb 2.25 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 32.32 1xjk h ARG 280 CO -0.09 0.83 -0.21 0.93 -1.07 0.00 0.00 179.97 180.35 1xjk h GLU 281 N 0.24 0.98 -0.17 0.04 5.08 -1.01 -1.86 114.58 117.89 1xjk h GLU 281 Ca -0.01 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1xjk h GLU 281 Cb 1.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1xjk h GLU 281 CO 0.10 1.09 0.11 1.25 -1.00 0.00 0.00 179.01 180.55 1xjk h LEU 282 N 0.85 0.20 -0.91 1.33 5.85 -1.48 -0.87 115.31 120.27 1xjk h LEU 282 Ca 0.11 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1xjk h LEU 282 Cb 0.79 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1xjk h LEU 282 CO 0.07 0.17 0.34 -0.26 -0.34 0.00 0.00 178.44 178.42 1xjk h PHE 283 N 0.21 1.14 -0.25 1.25 0.04 -1.35 -0.14 116.94 117.84 1xjk h PHE 283 Ca 0.06 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1xjk h PHE 283 Cb 0.00 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.79 1xjk h PHE 283 CO -0.06 0.84 -0.13 -0.09 -0.60 0.00 0.00 178.31 178.27 1xjk h ARG 284 N 1.11 0.42 0.14 1.51 2.43 -1.11 -0.13 114.38 118.76 1xjk h ARG 284 Ca 0.26 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1xjk h ARG 284 Cb 0.16 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1xjk h ARG 284 CO -0.03 0.56 -0.07 0.87 -1.51 0.00 0.00 179.97 179.79 1xjk h LYS 285 N 0.40 -0.19 0.05 0.20 1.57 0.03 -0.88 116.57 117.75 1xjk h LYS 285 Ca 0.07 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1xjk h LYS 285 Cb 0.47 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 1xjk h LYS 285 CO 0.03 0.06 -0.39 0.82 -0.57 0.00 0.00 179.45 179.39 1xjk h ILE 286 N -0.42 0.19 -0.74 1.86 2.04 -0.80 -2.63 117.51 117.02 1xjk h ILE 286 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1xjk h ILE 286 Cb 0.33 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1xjk h ILE 286 CO 0.03 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.67 1xjk h ALA 287 N -0.01 1.81 -0.39 1.87 0.00 -0.96 -1.32 119.26 120.27 1xjk h ALA 287 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1xjk h ALA 287 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xjk h ALA 287 CO -0.28 0.04 -0.13 1.15 0.00 0.00 0.00 179.25 180.03 1xjk h THR 288 N 0.66 1.28 -0.12 0.00 2.02 -0.92 0.51 112.91 116.33 1xjk h THR 288 Ca 0.34 -1.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1xjk h THR 288 Cb 0.44 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1xjk h THR 288 CO -0.12 0.41 -0.03 0.78 0.37 0.00 0.00 175.52 176.93 1xjk h ASN 289 N 0.57 0.24 -0.80 4.18 4.21 -1.03 -2.31 115.58 120.64 1xjk h ASN 289 Ca 0.09 -0.38 0.03 0.00 1.21 0.00 0.00 56.30 57.26 1xjk h ASN 289 Cb 0.67 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.76 1xjk h ASN 289 CO 0.05 0.56 0.53 0.00 -1.29 0.00 0.00 177.43 177.27 1xjk h ALA 290 N 0.69 1.50 -0.65 -0.83 0.00 -0.85 0.13 119.26 119.25 1xjk h ALA 290 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xjk h ALA 290 Cb 0.46 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1xjk h ALA 290 CO 0.01 0.42 0.27 2.35 0.00 0.00 0.00 179.25 182.30 1xjk h TRP 291 N 1.00 0.95 0.10 0.00 7.01 0.17 -2.15 115.95 123.03 1xjk h TRP 291 Ca 0.31 -0.05 -0.22 0.00 2.11 0.00 0.00 58.89 61.04 1xjk h TRP 291 Cb 0.01 -0.29 0.02 0.00 -2.10 0.00 0.00 29.16 26.81 1xjk h TRP 291 CO -0.00 0.72 -0.92 0.87 -2.79 0.00 0.00 178.44 176.33 1xjk h LYS 292 N 0.93 0.45 0.00 2.65 1.57 -0.80 -3.44 116.57 117.93 1xjk h LYS 292 Ca 0.22 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1xjk h LYS 292 Cb 0.17 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1xjk h LYS 292 CO -0.02 1.26 0.00 -1.13 -0.57 0.00 0.00 179.45 178.98 1xjk n SER 293 N -4.03 0.00 0.00 0.86 3.41 0.37 -4.66 113.62 109.58 1xjk n SER 293 Ca -0.13 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1xjk n SER 293 Cb 0.84 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1xjk n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xjk n GLY 294 N 0.00 2.48 3.63 5.00 0.00 -0.81 -4.98 105.19 110.50 1xjk n GLY 294 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1xjk n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjk s ASP 295 N 0.38 4.67 0.45 1.61 1.11 -1.26 -4.33 116.67 119.29 1xjk s ASP 295 Ca 0.00 -0.33 -0.13 0.00 0.18 0.00 0.00 52.55 52.27 1xjk s ASP 295 Cb 0.00 -0.99 -0.07 0.00 1.07 0.00 0.00 42.92 42.93 1xjk s ASP 295 CO 0.00 0.16 0.86 -2.16 1.18 0.00 0.00 175.17 175.21 1xjk s PRO 296 N -2.40 3.87 0.70 8.23 0.04 -1.26 -2.32 135.00 141.86 1xjk s PRO 296 Ca 0.24 0.69 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1xjk s PRO 296 Cb -0.11 -2.28 0.16 0.00 0.04 0.00 0.00 34.50 32.31 1xjk s PRO 296 CO 0.16 -0.12 0.93 0.41 0.04 0.00 0.00 177.00 178.42 1xjk n GLY 297 N -1.34 -1.49 3.35 0.56 0.00 0.57 -4.76 105.19 102.08 1xjk n GLY 297 Ca 0.04 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1xjk n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjk s LEU 298 N 0.00 2.21 -0.22 0.99 1.43 -0.33 -0.68 118.68 122.08 1xjk s LEU 298 Ca 0.53 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1xjk s LEU 298 Cb -0.02 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.92 1xjk s LEU 298 CO 0.37 0.28 0.01 0.00 0.23 0.00 0.00 176.35 177.25 1xjk s ALA 299 N -0.75 1.45 -1.35 4.21 0.00 0.21 -1.40 121.76 124.13 1xjk s ALA 299 Ca 0.11 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 1xjk s ALA 299 Cb -0.10 -1.33 0.11 0.00 0.00 0.00 0.00 23.12 21.80 1xjk s ALA 299 CO 0.01 -1.23 2.05 1.19 0.00 0.00 0.00 175.76 177.78 1xjk n PHE 300 N 4.87 3.11 -0.35 0.00 3.72 0.32 -1.35 117.46 127.78 1xjk n PHE 300 Ca -0.09 -2.86 0.08 0.00 -0.05 0.00 0.00 57.45 54.52 1xjk n PHE 300 Cb 0.45 -2.17 0.24 0.00 -0.94 0.00 0.00 39.48 37.07 1xjk n PHE 300 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xjk h LEU 301 N 8.48 0.84 -1.21 4.37 3.38 -1.65 -0.94 115.31 128.59 1xjk h LEU 301 Ca 0.48 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.45 1xjk h LEU 301 Cb 0.61 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1xjk h LEU 301 CO 1.72 0.42 -0.13 1.23 0.09 0.00 0.00 178.44 181.77 1xjk h GLY 302 N 0.90 0.42 1.86 0.83 0.00 -1.08 -1.44 103.07 104.55 1xjk h GLY 302 Ca 0.50 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 1xjk h GLY 302 CO -0.29 0.26 -0.39 -2.09 0.00 0.00 0.00 176.54 174.02 1xjk h GLU 303 N 0.37 0.16 -0.23 4.80 4.57 -1.43 -1.07 114.58 121.75 1xjk h GLU 303 Ca 0.07 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1xjk h GLU 303 Cb 0.45 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1xjk h GLU 303 CO 0.03 0.53 -0.23 0.52 -1.18 0.00 0.00 179.01 178.68 1xjk h MET 304 N 0.14 0.56 -0.26 1.92 2.86 -0.84 -3.14 114.93 116.17 1xjk h MET 304 Ca 0.01 -0.30 -0.11 0.00 -2.06 0.00 0.00 59.70 57.25 1xjk h MET 304 Cb 0.76 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1xjk h MET 304 CO 0.06 0.89 -0.28 -0.91 1.06 0.00 0.00 176.91 177.72 1xjk h ASN 305 N 0.26 0.53 -0.93 1.22 2.35 -1.12 -2.19 115.58 115.70 1xjk h ASN 305 Ca 0.04 -0.19 0.25 0.00 -0.55 0.00 0.00 56.30 55.84 1xjk h ASN 305 Cb 0.78 -0.15 -0.13 0.00 0.05 0.00 0.00 38.32 38.87 1xjk h ASN 305 CO 0.06 0.79 0.41 0.50 -1.65 0.00 0.00 177.43 177.54 1xjk h LYS 306 N 0.45 0.34 -0.69 0.81 3.64 -1.15 -0.82 116.57 119.15 1xjk h LYS 306 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1xjk h LYS 306 Cb 0.73 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1xjk h LYS 306 CO 0.06 0.22 0.00 0.66 -2.27 0.00 0.00 179.45 178.12 1xjk n TYR 307 N -5.08 1.30 -3.13 1.91 4.01 -0.98 -4.92 117.16 110.27 1xjk n TYR 307 Ca 0.24 -0.57 -0.42 0.00 -0.16 0.00 0.00 57.90 56.99 1xjk n TYR 307 Cb 0.74 -0.15 -0.07 0.00 -0.31 0.00 0.00 39.34 39.56 1xjk n TYR 307 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1xjk s TYR 308 N -1.52 3.10 -0.11 -0.72 5.04 -0.31 -4.67 117.35 118.16 1xjk s TYR 308 Ca 0.51 0.07 0.19 0.00 -2.44 0.00 0.00 57.07 55.39 1xjk s TYR 308 Cb 0.30 -3.23 1.02 0.00 0.35 0.00 0.00 41.96 40.39 1xjk s TYR 308 CO 0.28 -0.76 1.53 -2.30 -1.34 0.00 0.00 175.55 172.96 1xjk n PRO 309 N 6.13 0.12 -0.07 4.97 -0.02 -1.26 -2.07 135.00 142.81 1xjk n PRO 309 Ca -0.02 0.61 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 1xjk n PRO 309 Cb 0.48 -2.01 0.07 0.00 -0.02 0.00 0.00 33.50 32.02 1xjk n PRO 309 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xjk n LEU 310 N -2.19 2.18 -4.76 2.45 4.77 -1.26 -0.91 117.00 117.27 1xjk n LEU 310 Ca -0.01 -1.58 -0.39 0.00 -0.03 0.00 0.00 56.01 53.99 1xjk n LEU 310 Cb 0.14 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1xjk n LEU 310 CO 0.08 0.51 0.76 -0.47 -1.33 0.00 0.00 177.39 176.95 1xjk s TYR 311 N -0.83 3.56 -2.45 -1.77 5.04 -0.88 -0.27 117.35 119.75 1xjk s TYR 311 Ca 0.12 1.72 0.23 0.00 -2.44 0.00 0.00 57.07 56.70 1xjk s TYR 311 Cb 0.07 -3.21 0.63 0.00 0.35 0.00 0.00 41.96 39.80 1xjk s TYR 311 CO 0.10 -0.44 1.50 -0.35 -1.34 0.00 0.00 175.55 175.01 1xjk n PRO 312 N 0.96 2.01 0.00 4.97 -0.05 -1.26 -4.84 135.00 136.79 1xjk n PRO 312 Ca 0.00 -1.51 0.07 0.00 -0.05 0.00 0.00 63.50 62.01 1xjk n PRO 312 Cb 0.46 -1.45 0.41 0.00 -0.05 0.00 0.00 33.50 32.87 1xjk n PRO 312 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 175.50 177.03 1xjk n HIS 313 N 0.75 0.00 -3.70 0.54 -0.00 -1.05 -4.57 115.22 107.19 1xjk n HIS 313 Ca 0.17 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.24 1xjk n HIS 313 Cb 0.44 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.25 1xjk n HIS 313 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1xjk s ARG 314 N -2.00 0.92 -0.02 1.57 0.52 0.63 -5.10 118.95 115.46 1xjk s ARG 314 Ca 0.21 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1xjk s ARG 314 Cb 0.09 0.40 0.03 0.00 0.52 0.00 0.00 34.95 35.99 1xjk s ARG 314 CO 0.16 -0.32 0.03 0.21 0.02 0.00 0.00 175.30 175.40 1xjk s LYS 315 N -2.93 -0.03 -0.43 3.54 2.20 -1.26 -3.33 119.74 117.50 1xjk s LYS 315 Ca -0.02 0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.47 1xjk s LYS 315 Cb 0.00 -0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.12 1xjk s LYS 315 CO -0.06 -0.15 1.07 0.42 -0.36 0.00 0.00 175.35 176.27 1xjk s ILE 316 N 0.94 4.35 -0.30 5.43 1.01 -1.26 -4.27 121.20 127.10 1xjk s ILE 316 Ca -0.08 1.25 0.11 0.00 0.00 0.00 0.00 60.65 61.93 1xjk s ILE 316 Cb -0.11 -4.51 -0.14 0.00 0.01 0.00 0.00 42.46 37.71 1xjk s ILE 316 CO -0.03 -0.82 0.36 0.59 0.00 0.00 0.00 174.94 175.05 1xjk n ASN 317 N 7.41 1.34 -3.76 3.58 3.02 -1.23 -4.84 115.26 120.78 1xjk n ASN 317 Ca 0.10 -0.44 -0.10 0.00 -0.03 0.00 0.00 54.58 54.12 1xjk n ASN 317 Cb 0.48 1.21 -0.06 0.00 -0.61 0.00 0.00 39.78 40.80 1xjk n ASN 317 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xjk s SER 318 N -2.53 -0.06 0.22 6.41 0.15 -1.25 -4.32 113.70 112.32 1xjk s SER 318 Ca 0.01 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.26 1xjk s SER 318 Cb 0.08 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 1xjk s SER 318 CO 0.44 -0.74 0.25 0.35 1.20 0.00 0.00 173.24 174.74 1xjk n THR 319 N 0.03 0.00 -2.38 6.45 -2.24 -1.26 -0.76 114.28 114.12 1xjk n THR 319 Ca -0.16 -0.79 -0.24 0.00 -2.27 0.00 0.00 64.05 60.59 1xjk n THR 319 Cb 0.62 -0.61 0.08 0.00 -2.10 0.00 0.00 70.33 68.32 1xjk n THR 319 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xjk s ASN 320 N -2.33 4.63 0.52 3.42 4.22 -0.85 -4.05 114.94 120.49 1xjk s ASN 320 Ca 0.19 0.10 0.33 0.00 -2.14 0.00 0.00 52.86 51.34 1xjk s ASN 320 Cb -0.01 -0.67 1.47 0.00 1.28 0.00 0.00 41.25 43.32 1xjk s ASN 320 CO 0.12 -1.68 1.81 -0.65 -2.04 0.00 0.00 177.10 174.66 1xjk h PRO 321 N -0.52 0.06 -0.02 3.55 0.11 -1.82 -2.47 132.00 130.89 1xjk h PRO 321 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xjk h PRO 321 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1xjk h PRO 321 CO 0.51 0.04 -0.19 0.00 -0.21 0.00 0.00 178.00 178.15 1xjk n GLY 323 N 1.12 1.93 0.14 0.00 0.00 -0.93 -4.58 105.19 102.86 1xjk n GLY 323 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1xjk n GLY 323 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xjk h GLU 324 N 2.51 0.00 -5.10 1.61 9.09 -1.83 -3.39 114.58 117.47 1xjk h GLU 324 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 1xjk h GLU 324 Cb 0.00 0.00 -0.34 0.00 -1.65 0.00 0.00 28.75 26.76 1xjk h GLU 324 CO 0.00 0.02 -0.86 0.42 0.05 0.00 0.00 179.01 178.64 1xjk s ILE 325 N -3.31 2.11 -0.06 -1.06 -1.09 -1.26 0.00 121.20 116.53 1xjk s ILE 325 Ca 0.01 -0.93 -0.22 0.00 -2.23 0.00 0.00 60.65 57.28 1xjk s ILE 325 Cb 0.09 -1.87 -0.04 0.00 -1.58 0.00 0.00 42.46 39.05 1xjk s ILE 325 CO 0.77 0.54 0.62 -0.83 -1.23 0.00 0.00 174.94 174.81 1xjk s GLY 326 N 1.16 2.57 0.03 6.18 0.00 -1.26 -2.01 107.32 113.99 1xjk s GLY 326 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.81 1xjk s GLY 326 CO -0.10 0.97 -0.09 1.08 0.00 0.00 0.00 173.10 174.96 1xjk s LEU 327 N 0.47 2.15 0.90 0.66 1.43 0.06 -4.98 118.68 119.36 1xjk s LEU 327 Ca 0.33 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 1xjk s LEU 327 Cb -0.17 -0.35 0.14 0.00 0.03 0.00 0.00 46.19 45.83 1xjk s LEU 327 CO 0.16 -0.04 1.20 -0.94 0.23 0.00 0.00 176.35 176.96 1xjk s SER 328 N -0.96 3.69 0.10 2.29 1.04 -1.26 -3.52 113.70 115.09 1xjk s SER 328 Ca -0.02 0.70 -0.31 0.00 0.48 0.00 0.00 55.95 56.80 1xjk s SER 328 Cb -0.07 -1.10 -0.09 0.00 0.10 0.00 0.00 66.02 64.86 1xjk s SER 328 CO 0.00 -2.41 1.69 -1.81 0.98 0.00 0.00 173.24 171.69 1xjk s ASP 329 N -4.46 6.55 -0.44 7.02 -0.00 -1.26 -1.46 116.67 122.62 1xjk s ASP 329 Ca 0.66 2.58 0.00 0.00 -0.00 0.00 0.00 52.55 55.79 1xjk s ASP 329 Cb -0.10 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 1xjk s ASP 329 CO 0.52 -0.91 0.00 -1.22 -0.00 0.00 0.00 175.17 173.56 1xjk n TYR 330 N 5.33 0.00 -3.31 4.23 4.01 0.12 -4.96 117.16 122.58 1xjk n TYR 330 Ca 0.16 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.55 1xjk n TYR 330 Cb 0.39 -1.20 -0.06 0.00 -0.31 0.00 0.00 39.34 38.16 1xjk n TYR 330 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1xjk s GLU 331 N -1.76 4.02 0.25 -0.72 2.12 -0.53 -4.09 118.70 117.98 1xjk s GLU 331 Ca 0.00 0.55 0.05 0.00 0.36 0.00 0.00 54.97 55.93 1xjk s GLU 331 Cb 0.00 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.44 1xjk s GLU 331 CO 0.00 0.45 -0.03 0.00 -0.54 0.00 0.00 175.26 175.14 1xjk s ALA 332 N -1.51 2.07 -0.13 6.30 0.00 -1.26 -1.54 121.76 125.69 1xjk s ALA 332 Ca 0.40 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.45 1xjk s ALA 332 Cb -0.15 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.36 1xjk s ALA 332 CO 0.19 -0.16 0.32 0.00 0.00 0.00 0.00 175.76 176.11 1xjk s ASN 334 N 1.11 6.76 0.33 0.00 4.22 -1.26 -2.47 114.94 123.64 1xjk s ASN 334 Ca -0.08 0.91 0.08 0.00 -2.14 0.00 0.00 52.86 51.62 1xjk s ASN 334 Cb -0.08 -2.27 -0.03 0.00 1.28 0.00 0.00 41.25 40.15 1xjk s ASN 334 CO -0.08 0.17 0.26 -0.76 -2.04 0.00 0.00 177.10 174.64 1xjk s LEU 335 N -0.25 3.56 -0.12 3.54 1.43 -1.26 -2.71 118.68 122.87 1xjk s LEU 335 Ca 0.25 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 1xjk s LEU 335 Cb -0.16 -2.15 0.11 0.00 0.03 0.00 0.00 46.19 44.02 1xjk s LEU 335 CO 0.12 -0.32 0.90 -0.83 0.23 0.00 0.00 176.35 176.45 1xjk s GLY 336 N -3.96 -0.37 -0.01 -3.19 0.00 -0.97 -0.31 107.32 98.50 1xjk s GLY 336 Ca 0.40 1.78 0.03 0.00 0.00 0.00 0.00 44.72 46.92 1xjk s GLY 336 CO 0.26 0.98 -0.09 -0.56 0.00 0.00 0.00 173.10 173.69 1xjk s SER 337 N -1.18 1.12 -0.23 1.64 0.01 -0.27 -0.28 113.70 114.51 1xjk s SER 337 Ca -0.04 -0.17 -0.13 0.00 1.31 0.00 0.00 55.95 56.92 1xjk s SER 337 Cb -0.00 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1xjk s SER 337 CO 0.04 0.09 0.27 -0.63 0.41 0.00 0.00 173.24 173.42 1xjk s ILE 338 N -0.03 5.28 -0.79 1.44 1.01 -0.29 -0.86 121.20 126.96 1xjk s ILE 338 Ca 0.01 0.42 -0.26 0.00 0.00 0.00 0.00 60.65 60.81 1xjk s ILE 338 Cb -0.06 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1xjk s ILE 338 CO -0.00 0.29 1.48 -0.62 0.00 0.00 0.00 174.94 176.09 1xjk s ASP 339 N 1.10 5.98 0.18 3.58 2.15 -0.39 -1.51 116.67 127.76 1xjk s ASP 339 Ca 0.13 -0.54 0.23 0.00 0.43 0.00 0.00 52.55 52.79 1xjk s ASP 339 Cb -0.14 -2.56 0.90 0.00 -0.30 0.00 0.00 42.92 40.82 1xjk s ASP 339 CO 0.06 -1.94 1.69 1.33 -0.17 0.00 0.00 175.17 176.14 1xjk n VAL 340 N 6.77 0.77 0.20 1.11 0.24 -0.81 -2.51 118.33 124.10 1xjk n VAL 340 Ca 0.16 0.14 0.05 0.00 -2.04 0.00 0.00 64.34 62.65 1xjk n VAL 340 Cb 0.50 -1.00 0.42 0.00 -1.47 0.00 0.00 33.84 32.29 1xjk n VAL 340 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xjk h ALA 341 N 2.40 1.22 0.00 2.33 0.00 -1.76 -1.96 119.26 121.49 1xjk h ALA 341 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xjk h ALA 341 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xjk h ALA 341 CO 0.00 0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.30 1xjk n LYS 342 N -3.81 0.20 -0.34 0.00 5.02 -1.04 -3.41 118.16 114.78 1xjk n LYS 342 Ca -0.01 0.08 0.10 0.00 -2.02 0.00 0.00 58.31 56.46 1xjk n LYS 342 Cb 0.41 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.21 1xjk n LYS 342 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xjk n PHE 343 N -1.38 0.88 -2.64 2.13 3.01 -0.74 -4.93 117.46 113.80 1xjk n PHE 343 Ca 0.09 -0.44 -0.41 0.00 1.01 0.00 0.00 57.45 57.71 1xjk n PHE 343 Cb 0.22 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.64 1xjk n PHE 343 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1xjk s TYR 344 N -1.15 3.78 -0.28 1.38 5.04 -1.22 -0.24 117.35 124.67 1xjk s TYR 344 Ca 0.44 1.78 -0.02 0.00 -2.44 0.00 0.00 57.07 56.82 1xjk s TYR 344 Cb 0.23 -3.12 0.17 0.00 0.35 0.00 0.00 41.96 39.58 1xjk s TYR 344 CO 0.29 -0.02 0.52 1.21 -1.34 0.00 0.00 175.55 176.22 1xjk s ASN 345 N -0.56 -0.81 -1.36 4.32 3.04 0.25 -4.85 114.94 114.98 1xjk s ASN 345 Ca 0.45 0.71 -0.03 0.00 0.04 0.00 0.00 52.86 54.03 1xjk s ASN 345 Cb -0.27 1.81 0.00 0.00 -1.54 0.00 0.00 41.25 41.25 1xjk s ASN 345 CO 0.33 -0.27 0.42 0.59 -3.04 0.00 0.00 177.10 175.14 1xjk n ASN 346 N 5.41 -5.40 0.00 -4.21 5.03 -1.26 -0.60 115.26 114.23 1xjk n ASN 346 Ca -0.03 -0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.22 1xjk n ASN 346 Cb 0.51 -4.28 0.00 0.00 -1.02 0.00 0.00 39.78 34.99 1xjk n ASN 346 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xjk n GLY 347 N -1.34 0.79 3.26 7.41 0.00 -1.26 -5.04 105.19 109.00 1xjk n GLY 347 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1xjk n GLY 347 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xjk s PHE 348 N -3.01 1.38 -0.26 1.61 0.40 0.23 -4.96 117.98 113.37 1xjk s PHE 348 Ca 0.00 -0.64 -0.28 0.00 -0.60 0.00 0.00 56.93 55.41 1xjk s PHE 348 Cb 0.00 -0.70 0.01 0.00 0.51 0.00 0.00 43.02 42.84 1xjk s PHE 348 CO 0.00 0.15 0.99 0.54 0.70 0.00 0.00 175.22 177.60 1xjk s VAL 349 N -2.73 4.67 -0.93 -0.44 0.11 -1.26 0.88 120.40 120.70 1xjk s VAL 349 Ca 0.14 1.79 -0.25 0.00 -2.93 0.00 0.00 61.98 60.73 1xjk s VAL 349 Cb -0.01 -4.29 -0.09 0.00 -1.53 0.00 0.00 36.38 30.46 1xjk s VAL 349 CO 0.03 -0.26 2.07 -0.62 -3.33 0.00 0.00 175.10 172.99 1xjk s ASP 350 N 1.39 4.70 0.08 3.54 3.68 0.67 -4.74 116.67 125.99 1xjk s ASP 350 Ca 0.42 -0.66 0.17 0.00 2.13 0.00 0.00 52.55 54.60 1xjk s ASP 350 Cb -0.14 -2.56 0.71 0.00 -1.45 0.00 0.00 42.92 39.47 1xjk s ASP 350 CO 0.09 -3.21 1.52 0.18 0.13 0.00 0.00 175.17 173.89 1xjk n LEU 351 N 15.57 0.20 0.00 -1.34 4.77 -1.26 -2.18 117.00 132.76 1xjk n LEU 351 Ca 0.43 0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 56.85 1xjk n LEU 351 Cb 0.46 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 1xjk n LEU 351 CO 0.60 -0.36 0.40 -0.08 -1.33 0.00 0.00 177.39 176.62 1xjk h GLU 352 N 0.00 -0.11 -0.50 3.23 4.81 -1.85 -2.93 114.58 117.23 1xjk h GLU 352 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1xjk h GLU 352 Cb 0.27 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1xjk h GLU 352 CO 0.00 0.44 0.28 0.00 -0.73 0.00 0.00 179.01 179.00 1xjk h ALA 353 N -0.16 1.55 -0.14 2.92 0.00 -1.49 -3.13 119.26 118.80 1xjk h ALA 353 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xjk h ALA 353 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xjk h ALA 353 CO 0.02 0.38 0.04 1.25 0.00 0.00 0.00 179.25 180.94 1xjk h LEU 354 N 0.70 0.21 -0.89 0.00 5.85 -1.46 -1.44 115.31 118.28 1xjk h LEU 354 Ca 0.18 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1xjk h LEU 354 Cb 0.01 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1xjk h LEU 354 CO -0.03 0.37 0.36 -0.61 -0.34 0.00 0.00 178.44 178.19 1xjk h GLN 355 N 0.05 1.17 -0.48 1.25 4.15 -1.48 -0.29 115.11 119.47 1xjk h GLN 355 Ca 0.05 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.31 1xjk h GLN 355 Cb 0.23 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1xjk h GLN 355 CO -0.00 0.91 0.28 0.93 -1.93 0.00 0.00 178.83 179.02 1xjk h GLU 356 N 1.15 0.54 -0.21 1.69 5.08 -1.49 -2.25 114.58 119.09 1xjk h GLU 356 Ca 0.27 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1xjk h GLU 356 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1xjk h GLU 356 CO -0.03 0.36 0.09 1.25 -1.00 0.00 0.00 179.01 179.68 1xjk h LEU 357 N 0.56 0.29 -1.05 1.33 5.85 -0.47 -2.24 115.31 119.57 1xjk h LEU 357 Ca 0.19 -0.15 0.22 0.00 0.84 0.00 0.00 57.88 58.98 1xjk h LEU 357 Cb 0.03 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 40.87 1xjk h LEU 357 CO -0.10 0.36 0.61 0.58 -0.34 0.00 0.00 178.44 179.55 1xjk h VAL 358 N 0.20 0.61 -0.28 1.05 2.07 -1.04 0.64 116.25 119.50 1xjk h VAL 358 Ca 0.07 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1xjk h VAL 358 Cb 0.16 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1xjk h VAL 358 CO -0.01 0.12 -0.16 1.56 0.02 0.00 0.00 177.57 179.10 1xjk h GLN 359 N 0.64 0.59 -0.58 1.57 4.20 -1.20 -1.88 115.11 118.45 1xjk h GLN 359 Ca 0.61 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.95 1xjk h GLN 359 Cb 1.11 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 1xjk h GLN 359 CO -0.41 0.85 -0.02 0.82 -0.67 0.00 0.00 178.83 179.40 1xjk h ILE 360 N 0.33 1.26 -0.32 2.54 2.04 -0.61 -2.80 117.51 119.96 1xjk h ILE 360 Ca 0.06 -1.15 -0.14 0.00 1.00 0.00 0.00 64.86 64.62 1xjk h ILE 360 Cb 0.68 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1xjk h ILE 360 CO 0.05 0.42 -0.36 0.00 0.00 0.00 0.00 178.15 178.25 1xjk h ALA 361 N 1.03 0.48 -0.37 1.87 0.00 0.24 -0.74 119.26 121.77 1xjk h ALA 361 Ca 0.16 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1xjk h ALA 361 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1xjk h ALA 361 CO 0.03 0.56 0.04 0.28 0.00 0.00 0.00 179.25 180.16 1xjk h VAL 362 N 0.59 1.25 -0.48 0.00 2.07 -1.34 -1.61 116.25 116.73 1xjk h VAL 362 Ca 0.05 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1xjk h VAL 362 Cb 0.95 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1xjk h VAL 362 CO 0.09 0.30 0.30 -0.09 0.02 0.00 0.00 177.57 178.19 1xjk h ARG 363 N 0.46 0.60 0.04 1.57 2.43 -1.34 0.27 114.38 118.42 1xjk h ARG 363 Ca 0.11 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1xjk h ARG 363 Cb 0.40 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1xjk h ARG 363 CO 0.01 0.40 -0.14 0.35 -1.51 0.00 0.00 179.97 179.08 1xjk h PHE 364 N 0.62 -0.35 -0.78 2.20 3.04 -1.01 0.52 116.94 121.17 1xjk h PHE 364 Ca 0.18 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 1xjk h PHE 364 Cb -0.04 0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.59 1xjk h PHE 364 CO -0.05 -0.20 0.43 -0.07 -2.02 0.00 0.00 178.31 176.40 1xjk h LEU 365 N -0.25 0.96 -1.18 0.59 3.38 -0.93 0.72 115.31 118.60 1xjk h LEU 365 Ca 0.03 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1xjk h LEU 365 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xjk h LEU 365 CO -0.10 0.77 -0.30 -0.78 0.09 0.00 0.00 178.44 178.12 1xjk h ASP 366 N 1.08 0.18 0.53 -0.43 3.58 -0.62 -3.00 116.42 117.74 1xjk h ASP 366 Ca 0.28 -0.06 -0.21 0.00 0.42 0.00 0.00 57.03 57.46 1xjk h ASP 366 Cb 0.01 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1xjk h ASP 366 CO -0.05 0.48 -0.93 0.78 -2.88 0.00 0.00 179.24 176.65 1xjk h ASN 367 N 0.16 0.34 -0.93 2.28 2.35 0.74 -3.17 115.58 117.35 1xjk h ASN 367 Ca 0.02 -0.28 0.16 0.00 -0.55 0.00 0.00 56.30 55.65 1xjk h ASN 367 Cb 0.62 -0.10 -0.10 0.00 0.05 0.00 0.00 38.32 38.78 1xjk h ASN 367 CO 0.04 1.10 0.53 0.58 -1.65 0.00 0.00 177.43 178.03 1xjk h VAL 368 N 0.14 0.75 -0.72 2.81 2.07 -0.79 -1.72 116.25 118.79 1xjk h VAL 368 Ca -0.06 -0.25 0.16 0.00 0.82 0.00 0.00 66.70 67.37 1xjk h VAL 368 Cb 1.57 -0.05 -0.12 0.00 -1.52 0.00 0.00 31.29 31.17 1xjk h VAL 368 CO 0.15 0.13 0.01 0.40 0.02 0.00 0.00 177.57 178.28 1xjk h ILE 369 N 0.74 0.38 0.00 4.57 2.04 -1.58 0.24 117.51 123.90 1xjk h ILE 369 Ca 0.51 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.33 1xjk h ILE 369 Cb 0.71 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1xjk h ILE 369 CO -0.35 0.02 0.00 0.44 0.00 0.00 0.00 178.15 178.26 1xjk h ASP 370 N 0.11 0.00 -0.00 1.72 3.32 -1.43 -3.12 116.42 117.02 1xjk h ASP 370 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1xjk h ASP 370 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1xjk h ASP 370 CO -0.63 0.00 -0.25 1.33 -1.72 0.00 0.00 179.24 177.97 1xjk n VAL 371 N -2.58 0.00 -1.95 -1.35 0.24 -0.87 -4.98 118.33 106.84 1xjk n VAL 371 Ca 0.03 -0.37 -0.40 0.00 -2.04 0.00 0.00 64.34 61.56 1xjk n VAL 371 Cb 0.33 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 1xjk n VAL 371 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1xjk s ASN 372 N -1.44 6.16 -0.15 -1.34 3.84 0.02 -4.95 114.94 117.10 1xjk s ASN 372 Ca 0.07 2.78 0.01 0.00 0.21 0.00 0.00 52.86 55.93 1xjk s ASN 372 Cb 0.07 -2.65 0.02 0.00 -0.55 0.00 0.00 41.25 38.15 1xjk s ASN 372 CO 0.27 -0.96 -0.17 -0.69 -2.79 0.00 0.00 177.10 172.75 1xjk s VAL 373 N -1.23 1.75 0.11 -5.21 1.01 0.35 -5.01 120.40 112.17 1xjk s VAL 373 Ca 0.58 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1xjk s VAL 373 Cb -0.41 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1xjk s VAL 373 CO 0.53 0.49 0.12 -0.36 0.00 0.00 0.00 175.10 175.88 1xjk s PHE 374 N 1.22 3.22 -1.43 5.22 0.40 -1.26 -3.74 117.98 121.61 1xjk s PHE 374 Ca 0.01 0.06 0.19 0.00 -0.60 0.00 0.00 56.93 56.59 1xjk s PHE 374 Cb -0.14 -1.60 0.98 0.00 0.51 0.00 0.00 43.02 42.78 1xjk s PHE 374 CO -0.08 0.53 1.60 -2.30 0.70 0.00 0.00 175.22 175.67 1xjk n PRO 375 N 0.08 0.27 -3.72 0.24 -0.02 -1.26 -4.78 135.00 125.82 1xjk n PRO 375 Ca -0.08 0.10 -0.15 0.00 -2.02 0.00 0.00 63.50 61.36 1xjk n PRO 375 Cb 0.53 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.36 1xjk n PRO 375 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xjk s ILE 376 N -2.57 -0.13 0.36 4.25 1.01 -1.26 -5.05 121.20 117.80 1xjk s ILE 376 Ca 0.18 0.24 0.06 0.00 0.00 0.00 0.00 60.65 61.13 1xjk s ILE 376 Cb 0.13 -0.27 0.17 0.00 0.01 0.00 0.00 42.46 42.49 1xjk s ILE 376 CO 0.30 0.10 1.90 0.44 0.00 0.00 0.00 174.94 177.68 1xjk h ASP 377 N 7.64 0.41 0.68 3.58 5.19 -2.00 -2.17 116.42 129.75 1xjk h ASP 377 Ca -0.32 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 55.99 1xjk h ASP 377 Cb 1.13 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.53 1xjk h ASP 377 CO 0.32 0.49 -0.13 0.11 -3.12 0.00 0.00 179.24 176.91 1xjk h LYS 378 N 0.43 0.00 0.10 3.56 1.57 -1.97 -1.46 116.57 118.81 1xjk h LYS 378 Ca 0.09 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1xjk h LYS 378 Cb 0.31 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.63 1xjk h LYS 378 CO 0.01 0.13 -0.65 0.82 -0.57 0.00 0.00 179.45 179.19 1xjk h ILE 379 N 0.00 1.55 -0.43 1.86 2.04 -1.55 -2.61 117.51 118.37 1xjk h ILE 379 Ca -0.00 -2.44 0.08 0.00 1.00 0.00 0.00 64.86 63.50 1xjk h ILE 379 Cb 0.50 3.15 -0.07 0.00 -0.74 0.00 0.00 36.82 39.67 1xjk h ILE 379 CO 0.02 0.68 0.01 0.74 0.00 0.00 0.00 178.15 179.60 1xjk h THR 380 N -0.44 0.67 -0.25 -0.27 2.02 -1.23 -1.92 112.91 111.48 1xjk h THR 380 Ca -0.11 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1xjk h THR 380 Cb 1.49 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1xjk h THR 380 CO 0.12 0.02 -0.34 0.50 0.37 0.00 0.00 175.52 176.19 1xjk h LYS 381 N 0.12 0.54 -0.32 6.66 3.64 -1.38 -2.50 116.57 123.33 1xjk h LYS 381 Ca 0.22 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1xjk h LYS 381 Cb 0.31 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1xjk h LYS 381 CO -0.35 0.81 -0.23 0.00 -2.27 0.00 0.00 179.45 177.41 1xjk h ALA 382 N 1.17 1.00 -0.03 5.00 0.00 -1.11 -2.87 119.26 122.42 1xjk h ALA 382 Ca 0.05 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.38 1xjk h ALA 382 Cb 0.81 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xjk h ALA 382 CO 0.07 0.59 -0.90 0.28 0.00 0.00 0.00 179.25 179.29 1xjk h VAL 383 N 0.55 1.36 -0.32 0.00 2.07 -1.33 -3.02 116.25 115.56 1xjk h VAL 383 Ca 0.08 -2.30 -0.06 0.00 0.82 0.00 0.00 66.70 65.24 1xjk h VAL 383 Cb 0.69 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1xjk h VAL 383 CO 0.05 0.70 -0.07 0.11 0.02 0.00 0.00 177.57 178.38 1xjk h LYS 384 N 0.31 0.52 0.04 1.57 1.57 -1.39 0.31 116.57 119.49 1xjk h LYS 384 Ca -0.08 -0.13 -0.24 0.00 -1.87 0.00 0.00 60.65 58.33 1xjk h LYS 384 Cb 1.53 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 1xjk h LYS 384 CO 0.16 0.60 -1.16 0.93 -0.57 0.00 0.00 179.45 179.41 1xjk h GLU 385 N 0.49 0.09 0.00 3.15 5.08 -1.55 -3.39 114.58 118.44 1xjk h GLU 385 Ca 0.10 -0.15 -0.34 0.00 -1.00 0.00 0.00 59.36 57.96 1xjk h GLU 385 Cb 0.42 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1xjk h GLU 385 CO 0.02 1.03 -2.29 0.43 -1.00 0.00 0.00 179.01 177.20 1xjk n SER 386 N -3.38 2.21 -3.91 1.42 7.64 -1.13 -2.17 113.62 114.30 1xjk n SER 386 Ca -0.05 -0.12 -0.30 0.00 1.01 0.00 0.00 58.87 59.41 1xjk n SER 386 Cb 0.98 -0.34 0.02 0.00 -1.01 0.00 0.00 64.21 63.86 1xjk n SER 386 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xjk n ARG 387 N -3.15 -5.29 -1.69 1.43 1.74 0.11 -1.70 116.66 108.09 1xjk n ARG 387 Ca -0.40 0.58 -0.44 0.00 -0.77 0.00 0.00 57.85 56.82 1xjk n ARG 387 Cb 0.93 -5.46 -0.03 0.00 -1.02 0.00 0.00 32.46 26.88 1xjk n ARG 387 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1xjk n ARG 388 N -4.63 2.24 -4.45 5.56 0.63 -1.26 -4.00 116.66 110.76 1xjk n ARG 388 Ca 0.04 0.80 -0.24 0.00 -0.92 0.00 0.00 57.85 57.53 1xjk n ARG 388 Cb 0.52 -2.51 -0.10 0.00 0.45 0.00 0.00 32.46 30.83 1xjk n ARG 388 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1xjk s LEU 389 N 0.06 2.68 -0.54 6.15 1.43 -0.38 -4.50 118.68 123.58 1xjk s LEU 389 Ca 0.68 -0.99 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1xjk s LEU 389 Cb -0.61 -1.18 0.24 0.00 0.03 0.00 0.00 46.19 44.67 1xjk s LEU 389 CO 0.48 0.02 0.63 0.61 0.23 0.00 0.00 176.35 178.32 1xjk n GLY 390 N -0.67 3.92 3.70 -3.19 0.00 -1.10 -3.41 105.19 104.45 1xjk n GLY 390 Ca -0.05 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 1xjk n GLY 390 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xjk s LEU 391 N -1.83 4.29 0.00 0.99 2.96 0.18 -2.30 118.68 122.97 1xjk s LEU 391 Ca 0.37 1.56 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 1xjk s LEU 391 Cb 0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.29 1xjk s LEU 391 CO -0.07 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 1xjk n GLY 392 N 3.03 5.73 3.18 7.98 0.00 0.62 -1.36 105.19 124.38 1xjk n GLY 392 Ca 0.07 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 1xjk n GLY 392 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xjk s ILE 393 N -0.59 1.07 0.42 -0.61 -4.36 -1.26 -1.14 121.20 114.73 1xjk s ILE 393 Ca 0.00 -1.45 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 1xjk s ILE 393 Cb 0.00 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.49 1xjk s ILE 393 CO 0.00 -0.35 0.08 0.00 0.24 0.00 0.00 174.94 174.91 1xjk s MET 394 N -2.16 1.94 0.00 0.37 0.23 -0.57 -3.83 119.30 115.28 1xjk s MET 394 Ca 0.01 -2.18 0.00 0.00 -1.03 0.00 0.00 55.69 52.50 1xjk s MET 394 Cb -0.07 -0.91 0.00 0.00 -1.53 0.00 0.00 34.83 32.32 1xjk s MET 394 CO 0.02 -0.38 0.00 0.41 -2.03 0.00 0.00 175.02 173.04 1xjk n GLY 395 N -0.95 0.51 0.09 3.16 0.00 0.41 -1.93 105.19 106.49 1xjk n GLY 395 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1xjk n GLY 395 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xjk h PHE 396 N 0.00 0.00 -0.38 1.61 3.57 -1.78 0.12 116.94 120.08 1xjk h PHE 396 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1xjk h PHE 396 Cb 0.16 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1xjk h PHE 396 CO 0.10 -0.01 0.10 0.00 -2.23 0.00 0.00 178.31 176.26 1xjk h ALA 397 N 1.14 0.42 -0.46 2.41 0.00 -1.80 -1.69 119.26 119.28 1xjk h ALA 397 Ca 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xjk h ALA 397 Cb 0.09 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xjk h ALA 397 CO -0.13 -0.30 0.22 -0.44 0.00 0.00 0.00 179.25 178.60 1xjk h ASP 398 N 0.23 0.60 -0.67 0.00 3.32 -1.81 -1.88 116.42 116.20 1xjk h ASP 398 Ca 0.18 -0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.23 1xjk h ASP 398 Cb 0.20 -0.15 -0.09 0.00 0.22 0.00 0.00 39.33 39.50 1xjk h ASP 398 CO -0.22 0.55 0.19 0.25 -1.72 0.00 0.00 179.24 178.29 1xjk h LEU 399 N 0.59 0.08 -0.91 1.55 5.85 -0.62 -2.05 115.31 119.81 1xjk h LEU 399 Ca 0.16 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 1xjk h LEU 399 Cb 0.12 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1xjk h LEU 399 CO -0.02 0.03 0.05 -0.07 -0.34 0.00 0.00 178.44 178.08 1xjk h LEU 400 N 0.32 0.81 -0.20 2.25 3.38 -0.83 -0.95 115.31 120.09 1xjk h LEU 400 Ca 0.37 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1xjk h LEU 400 Cb 0.56 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1xjk h LEU 400 CO -0.43 0.85 -0.16 1.88 0.09 0.00 0.00 178.44 180.67 1xjk h TYR 401 N 0.80 -0.40 -0.87 1.13 0.05 -0.98 0.31 116.97 117.01 1xjk h TYR 401 Ca 0.16 0.03 0.08 0.00 0.05 0.00 0.00 58.73 59.04 1xjk h TYR 401 Cb 0.42 0.21 -0.07 0.00 1.01 0.00 0.00 36.73 38.29 1xjk h TYR 401 CO 0.02 -0.23 0.53 0.87 -1.05 0.00 0.00 178.16 178.31 1xjk h LYS 402 N -0.16 0.92 -0.00 4.88 1.57 -0.99 -2.52 116.57 120.26 1xjk h LYS 402 Ca 0.12 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1xjk h LYS 402 Cb 0.34 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1xjk h LYS 402 CO -0.30 0.61 -0.05 1.28 -0.57 0.00 0.00 179.45 180.41 1xjk n LEU 403 N -4.64 0.39 -3.25 2.94 4.77 -0.40 -4.91 117.00 111.91 1xjk n LEU 403 Ca 0.13 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.95 1xjk n LEU 403 Cb 0.22 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1xjk n LEU 403 CO 0.30 0.07 0.10 -0.62 -1.33 0.00 0.00 177.39 175.91 1xjk n GLU 404 N -0.90 -5.98 -4.30 3.23 1.02 -0.27 -5.01 120.64 108.43 1xjk n GLU 404 Ca 0.17 0.79 -0.32 0.00 -0.02 0.00 0.00 57.16 57.78 1xjk n GLU 404 Cb 0.24 -5.62 -0.16 0.00 -0.02 0.00 0.00 31.44 25.87 1xjk n GLU 404 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xjk s ILE 405 N -3.34 1.92 0.07 -3.67 1.01 -0.06 -4.99 121.20 112.14 1xjk s ILE 405 Ca 0.02 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.50 1xjk s ILE 405 Cb -0.00 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.68 1xjk s ILE 405 CO 0.68 0.52 1.20 -2.84 0.00 0.00 0.00 174.94 174.50 1xjk s PRO 406 N 1.15 4.43 0.25 2.79 0.02 -1.26 -4.35 135.00 138.04 1xjk s PRO 406 Ca 0.00 1.79 -0.04 0.00 0.02 0.00 0.00 61.00 62.76 1xjk s PRO 406 Cb -0.14 -3.34 0.34 0.00 0.02 0.00 0.00 34.50 31.39 1xjk s PRO 406 CO -0.08 -0.25 1.89 -0.92 -0.33 0.00 0.00 177.00 177.31 1xjk h TYR 407 N 6.68 1.16 -1.70 6.54 5.03 -1.84 -3.22 116.97 129.62 1xjk h TYR 407 Ca -0.42 0.03 -0.74 0.00 2.58 0.00 0.00 58.73 60.18 1xjk h TYR 407 Cb 1.21 -0.38 -0.16 0.00 1.55 0.00 0.00 36.73 38.95 1xjk h TYR 407 CO 0.66 0.64 1.74 0.27 -1.32 0.00 0.00 178.16 180.15 1xjk n ASN 408 N -4.50 5.11 -3.54 -2.11 6.94 -1.26 -4.69 115.26 111.20 1xjk n ASN 408 Ca 0.13 -3.02 -0.16 0.00 -0.02 0.00 0.00 54.58 51.51 1xjk n ASN 408 Cb 0.13 -1.55 -0.06 0.00 -2.36 0.00 0.00 39.78 35.94 1xjk n ASN 408 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xjk s SER 409 N 2.16 -0.61 0.61 0.53 1.04 -1.22 -5.02 113.70 111.19 1xjk s SER 409 Ca 0.42 0.72 0.33 0.00 0.48 0.00 0.00 55.95 57.90 1xjk s SER 409 Cb 0.03 0.57 1.90 0.00 0.10 0.00 0.00 66.02 68.63 1xjk s SER 409 CO 0.00 -0.53 2.23 -0.61 0.98 0.00 0.00 173.24 175.31 1xjk h GLN 410 N 3.09 0.00 -0.08 4.02 5.75 -1.89 -2.87 115.11 123.12 1xjk h GLN 410 Ca -0.26 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1xjk h GLN 410 Cb 1.15 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.69 1xjk h GLN 410 CO 0.35 0.00 -0.00 1.49 -2.65 0.00 0.00 178.83 178.01 1xjk h GLU 411 N 0.00 0.15 -0.79 1.69 4.81 -1.95 -1.52 114.58 116.97 1xjk h GLU 411 Ca 0.02 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1xjk h GLU 411 Cb 0.15 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 1xjk h GLU 411 CO -0.00 0.43 0.44 0.00 -0.73 0.00 0.00 179.01 179.15 1xjk h ALA 412 N 0.72 1.11 -0.01 2.92 0.00 -1.71 0.19 119.26 122.48 1xjk h ALA 412 Ca 0.02 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1xjk h ALA 412 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xjk h ALA 412 CO 0.01 0.08 -0.90 0.00 0.00 0.00 0.00 179.25 178.43 1xjk h ARG 413 N 0.76 0.40 -0.46 0.00 3.08 -1.40 0.47 114.38 117.24 1xjk h ARG 413 Ca 0.38 -0.41 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1xjk h ARG 413 Cb 0.33 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1xjk h ARG 413 CO -0.24 1.08 -0.27 -0.44 -1.07 0.00 0.00 179.97 179.03 1xjk h ASP 414 N 0.24 1.03 -0.75 7.04 3.32 -1.09 -0.36 116.42 125.85 1xjk h ASP 414 Ca -0.07 -0.42 0.05 0.00 0.02 0.00 0.00 57.03 56.61 1xjk h ASP 414 Cb 1.53 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1xjk h ASP 414 CO 0.16 1.22 0.45 0.15 -1.72 0.00 0.00 179.24 179.50 1xjk h PHE 415 N 0.84 0.84 0.34 4.55 3.57 -0.43 -2.60 116.94 124.05 1xjk h PHE 415 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1xjk h PHE 415 Cb 0.86 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1xjk h PHE 415 CO 0.06 0.45 -0.16 0.00 -2.23 0.00 0.00 178.31 176.42 1xjk h ALA 416 N 1.34 -0.45 -0.80 2.41 0.00 -0.74 -1.78 119.26 119.25 1xjk h ALA 416 Ca 0.32 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.20 1xjk h ALA 416 Cb 0.10 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1xjk h ALA 416 CO -0.15 -0.67 0.41 0.00 0.00 0.00 0.00 179.25 178.84 1xjk h ALA 417 N -0.01 1.16 -0.08 0.00 0.00 -1.09 0.10 119.26 119.35 1xjk h ALA 417 Ca -0.05 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xjk h ALA 417 Cb 0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xjk h ALA 417 CO 0.08 -0.05 -0.05 -0.91 0.00 0.00 0.00 179.25 178.31 1xjk h ASN 418 N 0.64 0.19 -0.29 0.00 2.35 -1.36 0.76 115.58 117.86 1xjk h ASN 418 Ca 0.42 -0.44 0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1xjk h ASN 418 Cb 0.52 -0.05 -0.08 0.00 0.05 0.00 0.00 38.32 38.76 1xjk h ASN 418 CO -0.32 0.58 -0.50 0.25 -1.65 0.00 0.00 177.43 175.79 1xjk h LEU 419 N -0.21 -1.63 -1.03 1.61 6.46 -1.20 0.13 115.31 119.44 1xjk h LEU 419 Ca 0.02 0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1xjk h LEU 419 Cb 0.52 0.67 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 1xjk h LEU 419 CO 0.01 -0.42 0.45 -0.03 -0.62 0.00 0.00 178.44 177.83 1xjk h MET 420 N -0.45 1.12 -0.09 1.25 4.05 -0.74 -1.53 114.93 118.55 1xjk h MET 420 Ca 0.08 -0.12 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1xjk h MET 420 Cb 0.62 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1xjk h MET 420 CO -0.52 0.82 0.02 0.00 0.23 0.00 0.00 176.91 177.46 1xjk h ALA 421 N 1.36 0.09 0.15 0.39 0.00 -0.59 0.19 119.26 120.85 1xjk h ALA 421 Ca 0.29 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1xjk h ALA 421 Cb 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1xjk h ALA 421 CO -0.05 -0.44 -0.42 0.35 0.00 0.00 0.00 179.25 178.70 1xjk h PHE 422 N 0.07 -1.16 -0.32 0.00 3.57 -0.45 0.37 116.94 119.02 1xjk h PHE 422 Ca 0.04 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1xjk h PHE 422 Cb 0.02 0.49 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1xjk h PHE 422 CO -0.10 -0.52 -0.18 0.82 -2.23 0.00 0.00 178.31 176.10 1xjk h ILE 423 N -0.67 0.48 -0.76 1.41 2.04 -1.25 -2.33 117.51 116.43 1xjk h ILE 423 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 1xjk h ILE 423 Cb 0.68 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1xjk h ILE 423 CO -0.22 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.34 1xjk h ALA 424 N 1.08 1.07 0.17 1.87 0.00 -0.26 -1.63 119.26 121.57 1xjk h ALA 424 Ca 0.16 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xjk h ALA 424 Cb 0.38 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1xjk h ALA 424 CO -0.40 0.03 -0.25 1.25 0.00 0.00 0.00 179.25 179.88 1xjk h LEU 425 N 0.70 -0.68 -0.30 0.00 5.85 -0.42 -1.81 115.31 118.65 1xjk h LEU 425 Ca 0.37 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 59.09 1xjk h LEU 425 Cb 0.35 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1xjk h LEU 425 CO -0.25 -0.34 -0.37 0.45 -0.34 0.00 0.00 178.44 177.59 1xjk h HIS 426 N -0.48 0.00 -0.02 1.25 3.86 -1.21 -1.55 115.15 116.99 1xjk h HIS 426 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1xjk h HIS 426 Cb 0.48 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 1xjk h HIS 426 CO -0.20 0.37 -0.01 0.00 0.86 0.00 0.00 177.93 178.94 1xjk h ALA 427 N 1.63 0.03 -0.24 2.45 0.00 -1.26 0.21 119.26 122.07 1xjk h ALA 427 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1xjk h ALA 427 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1xjk h ALA 427 CO 0.05 -0.23 -0.09 0.45 0.00 0.00 0.00 179.25 179.42 1xjk h HIS 428 N -0.39 0.41 -0.28 0.00 -0.00 -1.29 -0.60 115.15 113.00 1xjk h HIS 428 Ca 0.00 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 1xjk h HIS 428 Cb 0.47 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1xjk h HIS 428 CO 0.08 0.48 -0.09 -0.09 -0.00 0.00 0.00 177.93 178.31 1xjk h ARG 429 N 0.37 0.55 -0.80 2.45 2.43 -1.26 -2.23 114.38 115.88 1xjk h ARG 429 Ca 0.07 -0.22 0.11 0.00 -0.81 0.00 0.00 59.98 59.14 1xjk h ARG 429 Cb 0.40 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 1xjk h ARG 429 CO 0.02 0.77 0.52 1.15 -1.51 0.00 0.00 179.97 180.92 1xjk h THR 430 N 0.30 0.90 -0.25 0.20 2.02 -0.13 -1.95 112.91 114.00 1xjk h THR 430 Ca 0.07 -0.23 -0.18 0.00 0.77 0.00 0.00 66.41 66.84 1xjk h THR 430 Cb 0.58 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1xjk h THR 430 CO 0.03 0.12 -0.55 -1.28 0.37 0.00 0.00 175.52 174.21 1xjk h SER 431 N 0.67 0.84 -0.15 4.18 0.87 -0.87 -1.49 113.55 117.60 1xjk h SER 431 Ca 0.38 -0.45 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1xjk h SER 431 Cb 0.56 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1xjk h SER 431 CO -0.15 1.22 -0.04 0.22 -0.53 0.00 0.00 176.83 177.55 1xjk h TYR 432 N 0.57 -0.10 -0.50 2.24 3.20 -0.99 -0.04 116.97 121.35 1xjk h TYR 432 Ca 0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1xjk h TYR 432 Cb 1.14 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 1xjk h TYR 432 CO 0.06 -0.08 0.14 0.93 -1.64 0.00 0.00 178.16 177.57 1xjk h GLU 433 N -0.01 0.75 -0.17 1.82 5.08 -1.24 -1.66 114.58 119.15 1xjk h GLU 433 Ca 0.08 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 1xjk h GLU 433 Cb 0.13 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xjk h GLU 433 CO -0.16 0.67 -0.62 -0.07 -1.00 0.00 0.00 179.01 177.83 1xjk h LEU 434 N 0.73 0.66 -0.32 1.33 4.07 -1.16 -2.02 115.31 118.60 1xjk h LEU 434 Ca 0.17 -0.38 0.06 0.00 0.08 0.00 0.00 57.88 57.81 1xjk h LEU 434 Cb 0.25 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.74 1xjk h LEU 434 CO -0.00 1.12 -0.03 1.23 -1.08 0.00 0.00 178.44 179.67 1xjk h GLY 435 N 1.02 0.29 0.30 0.83 0.00 -0.59 0.26 103.07 105.18 1xjk h GLY 435 Ca -0.01 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.42 1xjk h GLY 435 CO 0.12 -0.09 -0.31 0.50 0.00 0.00 0.00 176.54 176.75 1xjk h LYS 436 N 0.06 -0.44 -0.13 4.80 1.57 -1.31 -1.62 116.57 119.51 1xjk h LYS 436 Ca 0.16 0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1xjk h LYS 436 Cb 0.22 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1xjk h LYS 436 CO -0.29 -0.29 -0.49 1.49 -0.57 0.00 0.00 179.45 179.30 1xjk h GLU 437 N -0.45 0.34 0.00 3.15 4.81 -1.07 -3.40 114.58 117.96 1xjk h GLU 437 Ca 0.07 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xjk h GLU 437 Cb 0.55 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1xjk h GLU 437 CO -0.27 0.76 -0.90 1.63 -0.73 0.00 0.00 179.01 179.50 1xjk n LYS 438 N -3.97 2.26 0.00 1.92 5.02 0.90 -3.82 118.16 120.48 1xjk n LYS 438 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1xjk n LYS 438 Cb 0.55 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 1xjk n LYS 438 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjk n GLY 439 N 2.52 4.08 3.84 0.72 0.00 -0.61 -4.78 105.19 110.96 1xjk n GLY 439 Ca 0.00 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 1xjk n GLY 439 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjk s ASN 440 N 0.00 5.68 0.14 1.61 0.01 -1.23 -4.23 114.94 116.92 1xjk s ASN 440 Ca 0.00 1.55 -0.31 0.00 -0.71 0.00 0.00 52.86 53.38 1xjk s ASN 440 Cb 0.00 -2.48 -0.09 0.00 0.41 0.00 0.00 41.25 39.08 1xjk s ASN 440 CO 0.00 -1.24 1.49 0.72 -1.51 0.00 0.00 177.10 176.56 1xjk s PHE 441 N -3.09 3.14 0.26 2.20 -0.71 -0.34 -4.87 117.98 114.56 1xjk s PHE 441 Ca 0.57 0.77 0.13 0.00 -1.04 0.00 0.00 56.93 57.36 1xjk s PHE 441 Cb -0.13 -3.82 0.91 0.00 -1.21 0.00 0.00 43.02 38.77 1xjk s PHE 441 CO 0.55 -2.98 1.13 -2.30 -1.34 0.00 0.00 175.22 170.28 1xjk n PRO 442 N 3.95 -0.04 -0.23 1.99 -0.02 -1.20 -1.03 135.00 138.42 1xjk n PRO 442 Ca 0.13 1.00 0.06 0.00 -2.02 0.00 0.00 63.50 62.67 1xjk n PRO 442 Cb 0.40 -1.77 0.19 0.00 -0.02 0.00 0.00 33.50 32.30 1xjk n PRO 442 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xjk n LEU 443 N -4.67 2.31 -0.26 2.45 4.77 -0.92 -4.36 117.00 116.32 1xjk n LEU 443 Ca 0.26 -1.16 0.07 0.00 -0.03 0.00 0.00 56.01 55.15 1xjk n LEU 443 Cb 0.87 -0.30 0.20 0.00 -2.33 0.00 0.00 43.42 41.86 1xjk n LEU 443 CO -0.00 0.55 0.91 0.25 -1.33 0.00 0.00 177.39 177.76 1xjk h LEU 444 N 2.40 -0.09 -0.94 2.23 6.46 -1.38 -2.17 115.31 121.83 1xjk h LEU 444 Ca 0.00 0.17 0.11 0.00 -0.12 0.00 0.00 57.88 58.04 1xjk h LEU 444 Cb 0.61 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.71 1xjk h LEU 444 CO 0.02 -0.10 0.58 -0.33 -0.62 0.00 0.00 178.44 177.98 1xjk h GLU 445 N 0.21 0.89 -0.59 1.25 5.08 -1.84 -2.44 114.58 117.15 1xjk h GLU 445 Ca 0.44 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1xjk h GLU 445 Cb 0.80 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xjk h GLU 445 CO -0.58 0.59 0.00 0.44 -1.00 0.00 0.00 179.01 178.46 1xjk n ILE 446 N -4.67 0.96 -3.78 3.13 -5.35 -0.83 -4.51 119.36 104.31 1xjk n ILE 446 Ca 0.17 -0.82 -0.20 0.00 -0.27 0.00 0.00 62.75 61.63 1xjk n ILE 446 Cb 0.33 0.29 -0.02 0.00 -1.74 0.00 0.00 39.64 38.50 1xjk n ILE 446 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xjk s SER 447 N -0.95 5.88 0.27 7.28 1.04 -0.92 -4.88 113.70 121.42 1xjk s SER 447 Ca 0.39 -0.18 0.25 0.00 0.48 0.00 0.00 55.95 56.89 1xjk s SER 447 Cb 0.22 -1.39 0.96 0.00 0.10 0.00 0.00 66.02 65.90 1xjk s SER 447 CO 0.24 -0.25 1.74 0.03 0.98 0.00 0.00 173.24 175.98 1xjk h ARG 448 N 1.13 0.00 -0.00 4.02 3.08 -1.32 0.00 114.38 121.29 1xjk h ARG 448 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1xjk h ARG 448 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 1xjk h ARG 448 CO 0.57 0.00 0.02 1.88 -1.07 0.00 0.00 179.97 181.37 1xjk h TYR 449 N 0.00 0.00 0.00 3.04 0.05 -1.86 -3.02 116.97 115.18 1xjk h TYR 449 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xjk h TYR 449 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 1xjk h TYR 449 CO 0.00 0.00 -0.39 -2.13 -1.05 0.00 0.00 178.16 174.59 1xjk n ARG 450 N -3.19 0.21 0.00 4.88 3.00 -0.12 -3.91 116.66 117.54 1xjk n ARG 450 Ca -0.03 0.08 0.08 0.00 -0.00 0.00 0.00 57.85 57.98 1xjk n ARG 450 Cb 0.09 -0.83 0.42 0.00 0.00 0.00 0.00 32.46 32.13 1xjk n ARG 450 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1xjk n THR 451 N -3.76 0.32 -4.29 5.15 -2.24 -0.57 -4.73 114.28 104.14 1xjk n THR 451 Ca -0.06 0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.65 1xjk n THR 451 Cb 0.20 -0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 67.50 1xjk n THR 451 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1xjk s GLU 452 N -2.31 1.22 0.06 -0.78 2.12 -1.14 -5.00 118.70 112.87 1xjk s GLU 452 Ca 0.18 -1.58 0.09 0.00 0.36 0.00 0.00 54.97 54.03 1xjk s GLU 452 Cb 0.10 -0.62 -0.03 0.00 0.26 0.00 0.00 34.13 33.84 1xjk s GLU 452 CO 0.21 -0.02 -0.26 0.16 -0.54 0.00 0.00 175.26 174.81 1xjk s ASP 453 N -3.25 3.26 -1.63 -1.70 -4.77 -1.26 -4.68 116.67 102.64 1xjk s ASP 453 Ca 0.23 -0.59 0.00 0.00 -3.30 0.00 0.00 52.55 48.89 1xjk s ASP 453 Cb 0.04 -0.32 0.00 0.00 -1.09 0.00 0.00 42.92 41.56 1xjk s ASP 453 CO 0.05 0.25 0.00 0.59 0.70 0.00 0.00 175.17 176.76 1xjk n ASN 454 N 1.64 -4.61 -4.70 2.11 3.02 -1.26 -4.97 115.26 106.49 1xjk n ASN 454 Ca -0.17 0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 1xjk n ASN 454 Cb 0.52 -4.04 -0.03 0.00 -0.61 0.00 0.00 39.78 35.62 1xjk n ASN 454 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xjk s PHE 455 N -2.59 2.50 -0.04 3.10 5.36 -1.26 -5.04 117.98 120.01 1xjk s PHE 455 Ca 0.00 0.29 0.03 0.00 -0.96 0.00 0.00 56.93 56.29 1xjk s PHE 455 Cb 0.00 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 1xjk s PHE 455 CO 0.00 -4.06 -0.13 0.08 -1.46 0.00 0.00 175.22 169.64 1xjk s VAL 456 N 2.31 1.16 -0.31 3.12 1.01 -1.26 -4.89 120.40 121.53 1xjk s VAL 456 Ca 0.75 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1xjk s VAL 456 Cb -0.43 -1.02 0.35 0.00 0.00 0.00 0.00 36.38 35.29 1xjk s VAL 456 CO 0.33 0.35 1.39 -0.81 0.00 0.00 0.00 175.10 176.36 1xjk n PRO 457 N 3.36 1.93 -3.60 2.72 -0.04 -1.26 -4.79 135.00 133.32 1xjk n PRO 457 Ca -0.19 -1.53 -0.11 0.00 -0.04 0.00 0.00 63.50 61.63 1xjk n PRO 457 Cb 0.53 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1xjk n PRO 457 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xjk s PHE 458 N -1.71 -0.29 0.25 0.54 -0.12 -1.26 -4.32 117.98 111.05 1xjk s PHE 458 Ca 0.28 0.00 0.14 0.00 -0.05 0.00 0.00 56.93 57.30 1xjk s PHE 458 Cb 0.23 0.42 0.50 0.00 -0.63 0.00 0.00 43.02 43.55 1xjk s PHE 458 CO 0.06 -0.84 1.67 0.00 -0.05 0.00 0.00 175.22 176.06 1xjk h ALA 459 N 2.17 1.02 -0.89 1.99 0.00 -1.75 -3.48 119.26 118.32 1xjk h ALA 459 Ca -0.32 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1xjk h ALA 459 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xjk h ALA 459 CO 0.40 0.64 0.00 -1.33 0.00 0.00 0.00 179.25 178.96 1xjk n MET 460 N -3.73 0.00 0.00 0.00 0.00 0.14 -4.96 117.12 108.57 1xjk n MET 460 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1xjk n MET 460 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.78 1xjk n MET 460 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xjk n GLY 461 N 0.00 1.72 1.27 3.03 0.00 -1.26 -4.90 105.19 105.04 1xjk n GLY 461 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1xjk n GLY 461 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xjk n MET 462 N -0.51 0.00 -3.76 1.61 2.81 -1.26 -5.10 117.12 110.90 1xjk n MET 462 Ca 0.00 -1.55 -0.10 0.00 -1.81 0.00 0.00 57.70 54.24 1xjk n MET 462 Cb 0.00 0.19 -0.06 0.00 -0.71 0.00 0.00 33.22 32.64 1xjk n MET 462 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xjk s SER 463 N -1.55 -0.06 0.00 7.83 0.15 -1.26 -4.25 113.70 114.56 1xjk s SER 463 Ca 0.19 -0.51 0.16 0.00 0.70 0.00 0.00 55.95 56.49 1xjk s SER 463 Cb 0.22 0.41 0.82 0.00 -1.71 0.00 0.00 66.02 65.77 1xjk s SER 463 CO -0.10 -0.80 1.54 -0.46 1.20 0.00 0.00 173.24 174.62 1xjk n ASN 464 N -0.15 0.39 -0.35 5.45 0.23 -1.26 -3.69 115.26 115.88 1xjk n ASN 464 Ca -0.15 -1.59 0.13 0.00 -0.53 0.00 0.00 54.58 52.44 1xjk n ASN 464 Cb 0.63 -0.03 0.43 0.00 -2.08 0.00 0.00 39.78 38.73 1xjk n ASN 464 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1xjk n TYR 465 N -0.48 0.00 -0.22 -2.53 4.01 -1.26 -4.41 117.16 112.28 1xjk n TYR 465 Ca 0.12 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.88 1xjk n TYR 465 Cb 0.11 -0.07 0.13 0.00 -0.31 0.00 0.00 39.34 39.20 1xjk n TYR 465 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xjk h ASP 466 N 1.72 0.15 0.40 7.72 3.45 -1.97 0.15 116.42 128.03 1xjk h ASP 466 Ca 0.00 0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 1xjk h ASP 466 Cb 0.51 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1xjk h ASP 466 CO 0.00 0.08 -0.19 0.44 -1.57 0.00 0.00 179.24 178.00 1xjk h ASP 467 N 0.36 -0.45 -0.87 6.45 3.32 -1.89 0.40 116.42 123.74 1xjk h ASP 467 Ca 0.34 -0.07 0.19 0.00 0.02 0.00 0.00 57.03 57.52 1xjk h ASP 467 Cb 0.48 0.12 -0.11 0.00 0.22 0.00 0.00 39.33 40.03 1xjk h ASP 467 CO -0.37 -0.20 0.39 -0.33 -1.72 0.00 0.00 179.24 177.00 1xjk h GLU 468 N -0.68 0.44 -0.45 3.56 5.08 -1.73 -2.21 114.58 118.60 1xjk h GLU 468 Ca -0.05 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1xjk h GLU 468 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1xjk h GLU 468 CO 0.09 0.29 -0.18 0.82 -1.00 0.00 0.00 179.01 179.03 1xjk h ILE 469 N 0.46 1.27 0.00 3.13 2.04 0.08 -1.31 117.51 123.18 1xjk h ILE 469 Ca 0.52 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1xjk h ILE 469 Cb 0.91 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1xjk h ILE 469 CO -0.48 0.45 -0.03 -0.09 0.00 0.00 0.00 178.15 178.01 1xjk h ARG 470 N 0.75 0.00 0.03 2.37 2.43 0.38 -1.81 114.38 118.52 1xjk h ARG 470 Ca 0.10 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.91 1xjk h ARG 470 Cb 0.75 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 1xjk h ARG 470 CO 0.06 0.03 -2.24 -1.91 -1.51 0.00 0.00 179.97 174.40 1xjk n GLU 471 N -3.32 0.68 -0.05 0.20 2.13 -1.02 -3.34 120.64 115.92 1xjk n GLU 471 Ca -0.02 0.16 0.09 0.00 0.66 0.00 0.00 57.16 58.05 1xjk n GLU 471 Cb 0.16 -1.60 0.48 0.00 0.27 0.00 0.00 31.44 30.75 1xjk n GLU 471 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1xjk h VAL 472 N 0.02 0.96 0.00 6.31 3.04 -1.08 -2.28 116.25 123.22 1xjk h VAL 472 Ca -0.50 -0.15 -0.05 0.00 -1.01 0.00 0.00 66.70 64.99 1xjk h VAL 472 Cb 2.03 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 1xjk h VAL 472 CO 0.00 0.08 -0.25 0.24 -1.01 0.00 0.00 177.57 176.64 1xjk h MET 473 N 0.44 0.00 0.07 4.17 2.86 -1.43 -2.40 114.93 118.64 1xjk h MET 473 Ca 0.23 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.61 1xjk h MET 473 Cb 0.34 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.01 1xjk h MET 473 CO -0.06 0.25 -1.12 0.87 1.06 0.00 0.00 176.91 177.91 1xjk h LYS 474 N 0.00 0.41 -0.84 1.72 1.57 -1.44 -3.28 116.57 114.71 1xjk h LYS 474 Ca -0.00 -0.54 0.06 0.00 -1.87 0.00 0.00 60.65 58.30 1xjk h LYS 474 Cb 0.67 0.18 -0.06 0.00 0.08 0.00 0.00 32.23 33.10 1xjk h LYS 474 CO 0.03 1.21 0.52 0.52 -0.57 0.00 0.00 179.45 181.15 1xjk h MET 475 N 0.18 0.92 0.00 3.15 2.86 -1.02 -2.38 114.93 118.64 1xjk h MET 475 Ca -0.12 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1xjk h MET 475 Cb 1.79 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1xjk h MET 475 CO 0.19 0.61 0.00 0.25 1.06 0.00 0.00 176.91 179.02 1xjk n THR 476 N -4.63 0.00 -0.21 2.22 -2.24 -0.94 -1.24 114.28 107.23 1xjk n THR 476 Ca 0.12 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1xjk n THR 476 Cb 0.17 -0.60 0.04 0.00 -2.10 0.00 0.00 70.33 67.83 1xjk n THR 476 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xjk h LYS 477 N 0.00 0.81 0.10 -0.78 1.63 -1.54 -3.35 116.57 113.44 1xjk h LYS 477 Ca 0.00 -0.06 -0.31 0.00 -0.85 0.00 0.00 60.65 59.43 1xjk h LYS 477 Cb 0.00 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 1xjk h LYS 477 CO 0.00 0.56 -1.68 0.93 -3.45 0.00 0.00 179.45 175.81 1xjk h GLU 478 N 0.82 0.22 -4.53 1.90 3.07 -1.40 -3.45 114.58 111.21 1xjk h GLU 478 Ca 0.22 -0.37 -0.38 0.00 -0.50 0.00 0.00 59.36 58.33 1xjk h GLU 478 Cb -0.06 0.14 -0.29 0.00 -0.84 0.00 0.00 28.75 27.69 1xjk h GLU 478 CO -0.04 1.18 -0.77 -0.06 -1.40 0.00 0.00 179.01 177.91 1xjk s PHE 479 N -2.50 0.72 -0.30 4.33 0.08 -1.21 -4.96 117.98 114.14 1xjk s PHE 479 Ca -0.23 -0.15 -0.16 0.00 0.12 0.00 0.00 56.93 56.52 1xjk s PHE 479 Cb 0.06 -0.49 0.17 0.00 -0.57 0.00 0.00 43.02 42.19 1xjk s PHE 479 CO 0.74 -0.04 1.06 0.50 -0.10 0.00 0.00 175.22 177.38 1xjk s ARG 480 N -0.03 0.24 0.07 0.44 3.52 -1.26 -4.01 118.95 117.92 1xjk s ARG 480 Ca 0.01 0.56 0.04 0.00 -0.13 0.00 0.00 55.73 56.21 1xjk s ARG 480 Cb -0.05 0.29 -0.24 0.00 -1.56 0.00 0.00 34.95 33.40 1xjk s ARG 480 CO -0.00 -0.08 1.09 -0.09 -0.81 0.00 0.00 175.30 175.42 1xjk h ARG 481 N 7.08 0.09 -4.77 5.12 9.65 -1.51 -0.90 114.38 129.13 1xjk h ARG 481 Ca -0.17 -0.15 -0.38 0.00 -1.10 0.00 0.00 59.98 58.17 1xjk h ARG 481 Cb 1.13 0.06 -0.27 0.00 -1.39 0.00 0.00 29.97 29.50 1xjk h ARG 481 CO 0.10 0.98 -0.77 -0.80 2.80 0.00 0.00 179.97 182.28 1xjk s ASN 482 N -6.74 1.09 0.20 -3.80 -0.87 -1.26 -3.42 114.94 100.15 1xjk s ASN 482 Ca -0.02 -0.25 -0.02 0.00 -1.57 0.00 0.00 52.86 50.99 1xjk s ASN 482 Cb 0.09 -0.09 0.16 0.00 -0.02 0.00 0.00 41.25 41.38 1xjk s ASN 482 CO 0.84 0.06 1.54 1.62 -2.57 0.00 0.00 177.10 178.59 1xjk h VAL 483 N 4.81 1.31 -3.60 1.60 3.04 -1.46 -3.47 116.25 118.49 1xjk h VAL 483 Ca -0.32 -1.70 -0.06 0.00 -1.01 0.00 0.00 66.70 63.61 1xjk h VAL 483 Cb 1.18 1.68 -0.11 0.00 -2.01 0.00 0.00 31.29 32.04 1xjk h VAL 483 CO 0.48 0.53 -0.13 0.00 -1.01 0.00 0.00 177.57 177.44 1xjk s ALA 484 N -4.10 -0.41 0.00 3.17 0.00 -1.26 -4.81 121.76 114.35 1xjk s ALA 484 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1xjk s ALA 484 Cb 0.12 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.15 1xjk s ALA 484 CO 0.83 -0.77 0.00 1.28 0.00 0.00 0.00 175.76 177.11 1xjk n LEU 485 N -0.31 0.00 -4.47 0.00 4.77 -1.22 -1.24 117.00 114.53 1xjk n LEU 485 Ca -0.07 -0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 1xjk n LEU 485 Cb 0.62 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.60 1xjk n LEU 485 CO 0.21 0.00 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.01 1xjk s LEU 486 N -0.11 2.62 0.05 2.23 1.43 -1.24 0.48 118.68 124.14 1xjk s LEU 486 Ca 0.00 -0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 52.16 1xjk s LEU 486 Cb 0.00 -1.42 0.09 0.00 0.03 0.00 0.00 46.19 44.89 1xjk s LEU 486 CO 0.00 0.15 0.79 0.28 0.23 0.00 0.00 176.35 177.80 1xjk s THR 487 N -1.35 0.00 -0.21 5.49 -1.32 -0.46 -2.32 115.64 115.47 1xjk s THR 487 Ca 0.19 -0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.65 1xjk s THR 487 Cb -0.10 -1.02 0.02 0.00 -1.51 0.00 0.00 72.50 69.89 1xjk s THR 487 CO 0.10 0.00 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.75 1xjk s ILE 488 N -3.34 2.54 0.41 5.08 -1.09 -1.17 -3.32 121.20 120.32 1xjk s ILE 488 Ca 0.04 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.59 1xjk s ILE 488 Cb -0.01 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 1xjk s ILE 488 CO -0.10 0.42 0.61 0.00 -1.23 0.00 0.00 174.94 174.65 1xjk s ALA 489 N 1.34 3.78 0.35 9.38 0.00 -1.26 -1.20 121.76 134.15 1xjk s ALA 489 Ca 0.04 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 51.03 1xjk s ALA 489 Cb -0.14 -2.09 0.78 0.00 0.00 0.00 0.00 23.12 21.66 1xjk s ALA 489 CO -0.09 -0.23 1.90 -1.35 0.00 0.00 0.00 175.76 176.00 1xjk h PRO 490 N 0.56 0.71 -6.35 0.00 0.11 -1.93 -3.37 132.00 121.73 1xjk h PRO 490 Ca -0.47 -0.04 -0.48 0.00 0.11 0.00 0.00 66.00 65.11 1xjk h PRO 490 Cb 1.24 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 1xjk h PRO 490 CO 0.58 0.47 -0.77 0.25 -0.21 0.00 0.00 178.00 178.33 1xjk n THR 491 N -4.52 -1.93 0.04 -1.15 -2.24 -1.26 -3.62 114.28 99.59 1xjk n THR 491 Ca 0.15 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1xjk n THR 491 Cb 0.37 -2.72 -0.04 0.00 -2.10 0.00 0.00 70.33 65.84 1xjk n THR 491 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xjk h GLY 492 N -2.03 -0.14 0.00 3.38 0.00 -1.98 -2.46 103.07 99.83 1xjk h GLY 492 Ca -0.58 0.16 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1xjk h GLY 492 CO 0.68 -0.14 -0.76 1.76 0.00 0.00 0.00 176.54 178.09 1xjk h SER 493 N -0.21 0.00 0.28 0.19 0.02 -2.01 -3.37 113.55 108.46 1xjk h SER 493 Ca 0.06 -0.69 -0.05 0.00 -0.84 0.00 0.00 61.79 60.27 1xjk h SER 493 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1xjk h SER 493 CO -0.15 1.29 -0.23 0.16 -1.14 0.00 0.00 176.83 176.76 1xjk h ILE 494 N -1.00 1.06 -0.47 3.27 3.07 -1.94 -1.04 117.51 120.46 1xjk h ILE 494 Ca -0.21 -0.81 -0.11 0.00 1.55 0.00 0.00 64.86 65.28 1xjk h ILE 494 Cb 1.17 1.45 -0.02 0.00 -0.27 0.00 0.00 36.82 39.16 1xjk h ILE 494 CO -0.13 0.23 -0.14 0.77 -1.05 0.00 0.00 178.15 177.83 1xjk h SER 495 N 0.00 0.88 -0.68 2.16 4.64 -1.66 -0.90 113.55 117.99 1xjk h SER 495 Ca -0.00 -0.29 0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1xjk h SER 495 Cb 0.43 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1xjk h SER 495 CO 0.03 1.02 0.44 0.78 -0.87 0.00 0.00 176.83 178.22 1xjk h ASN 496 N 0.78 0.73 -0.92 4.97 -0.26 -1.39 -0.31 115.58 119.19 1xjk h ASN 496 Ca 0.12 -0.01 0.09 0.00 -0.56 0.00 0.00 56.30 55.94 1xjk h ASN 496 Cb 0.66 -0.17 -0.07 0.00 -1.06 0.00 0.00 38.32 37.68 1xjk h ASN 496 CO 0.05 0.52 0.56 0.40 -1.06 0.00 0.00 177.43 177.90 1xjk h ILE 497 N 0.87 0.97 -0.01 2.81 2.04 -1.11 -2.86 117.51 120.21 1xjk h ILE 497 Ca 0.26 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1xjk h ILE 497 Cb -0.04 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 35.98 1xjk h ILE 497 CO -0.08 0.17 -0.02 0.00 0.00 0.00 0.00 178.15 178.22 1xjk n ALA 498 N -2.36 2.64 -3.79 1.87 0.00 -0.36 -4.86 120.51 113.65 1xjk n ALA 498 Ca 0.15 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 1xjk n ALA 498 Cb 0.26 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1xjk n ALA 498 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xjk n ASP 499 N -0.15 -3.73 -3.76 0.00 8.00 -0.23 -4.99 116.55 111.70 1xjk n ASP 499 Ca 0.19 -1.03 -0.13 0.00 0.71 0.00 0.00 54.79 54.53 1xjk n ASP 499 Cb 0.30 -3.19 -0.07 0.00 -0.02 0.00 0.00 41.12 38.15 1xjk n ASP 499 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xjk s THR 500 N -3.61 0.00 0.67 -3.53 -1.32 -0.58 -5.04 115.64 102.23 1xjk s THR 500 Ca 0.33 -1.77 -0.14 0.00 -1.21 0.00 0.00 61.69 58.91 1xjk s THR 500 Cb -0.13 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 1xjk s THR 500 CO 0.88 0.00 1.08 -0.94 -2.21 0.00 0.00 174.62 173.43 1xjk s SER 501 N -3.19 5.26 -0.09 8.08 1.04 -1.26 -4.45 113.70 119.09 1xjk s SER 501 Ca 0.33 1.84 -0.24 0.00 0.48 0.00 0.00 55.95 58.36 1xjk s SER 501 Cb 0.03 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 1xjk s SER 501 CO 0.16 -1.52 0.76 -0.44 0.98 0.00 0.00 173.24 173.18 1xjk s SER 502 N -3.02 7.00 0.06 7.02 0.01 -1.26 0.16 113.70 123.66 1xjk s SER 502 Ca 0.63 1.21 0.00 0.00 1.31 0.00 0.00 55.95 59.10 1xjk s SER 502 Cb -0.17 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1xjk s SER 502 CO 0.45 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1xjk n GLY 503 N 3.22 1.39 0.07 3.44 0.00 -1.24 -1.33 105.19 110.74 1xjk n GLY 503 Ca 0.01 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 45.90 1xjk n GLY 503 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xjk n LEU 504 N 0.00 0.26 -4.77 0.99 -0.00 -1.26 -3.53 117.00 108.70 1xjk n LEU 504 Ca 0.00 0.03 -0.37 0.00 -0.00 0.00 0.00 56.01 55.67 1xjk n LEU 504 Cb 0.00 -0.13 -0.00 0.00 -0.00 0.00 0.00 43.42 43.29 1xjk n LEU 504 CO 0.00 0.05 0.84 -1.61 -0.00 0.00 0.00 177.39 176.67 1xjk s GLU 505 N -2.28 3.63 0.67 1.47 0.41 -0.44 -4.62 118.70 117.53 1xjk s GLU 505 Ca 0.37 1.82 -0.17 0.00 -0.41 0.00 0.00 54.97 56.58 1xjk s GLU 505 Cb 0.21 -2.34 0.01 0.00 -1.78 0.00 0.00 34.13 30.22 1xjk s GLU 505 CO 0.42 -0.67 1.22 -1.25 -0.49 0.00 0.00 175.26 174.49 1xjk s PRO 506 N -2.79 2.47 0.14 0.39 0.04 -1.26 -4.23 135.00 129.77 1xjk s PRO 506 Ca 0.66 1.84 -0.34 0.00 0.04 0.00 0.00 61.00 63.19 1xjk s PRO 506 Cb -0.30 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.24 1xjk s PRO 506 CO 0.36 -1.60 1.60 0.09 0.04 0.00 0.00 177.00 177.49 1xjk n ASN 507 N -2.22 3.10 -0.12 6.66 3.02 -1.26 -4.63 115.26 119.80 1xjk n ASN 507 Ca 0.14 1.07 -0.10 0.00 -0.03 0.00 0.00 54.58 55.66 1xjk n ASN 507 Cb 0.50 -1.42 0.04 0.00 -0.61 0.00 0.00 39.78 38.29 1xjk n ASN 507 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xjk h PHE 508 N 6.20 1.02 -3.60 3.10 3.04 -1.93 -1.50 116.94 123.28 1xjk h PHE 508 Ca -0.45 -0.25 -0.12 0.00 3.98 0.00 0.00 57.97 61.12 1xjk h PHE 508 Cb 1.26 -0.24 -0.18 0.00 2.56 0.00 0.00 35.95 39.35 1xjk h PHE 508 CO 0.65 1.04 -0.44 -0.51 -2.02 0.00 0.00 178.31 177.03 1xjk s LEU 509 N -8.96 1.49 0.19 0.59 1.43 -1.26 -3.92 118.68 108.24 1xjk s LEU 509 Ca -0.10 -0.37 0.19 0.00 -1.03 0.00 0.00 54.13 52.82 1xjk s LEU 509 Cb 0.12 0.83 0.00 0.00 0.03 0.00 0.00 46.19 47.17 1xjk s LEU 509 CO 0.86 -0.51 1.10 -0.07 0.23 0.00 0.00 176.35 177.96 1xjk h LEU 510 N 3.67 0.00 -7.40 1.79 3.38 -1.89 -3.46 115.31 111.41 1xjk h LEU 510 Ca -0.32 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.37 1xjk h LEU 510 Cb 1.19 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.60 1xjk h LEU 510 CO 0.47 0.29 -0.66 0.00 0.09 0.00 0.00 178.44 178.63 1xjk s ALA 511 N -3.12 -0.09 -0.40 1.53 0.00 -1.26 0.32 121.76 118.74 1xjk s ALA 511 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1xjk s ALA 511 Cb 0.08 -0.51 0.17 0.00 0.00 0.00 0.00 23.12 22.86 1xjk s ALA 511 CO 0.78 -0.28 0.49 1.52 0.00 0.00 0.00 175.76 178.27 1xjk s TYR 512 N 1.54 -0.89 0.00 0.00 -0.85 -1.26 -4.71 117.35 111.19 1xjk s TYR 512 Ca -0.04 -0.44 -0.00 0.00 -0.52 0.00 0.00 57.07 56.06 1xjk s TYR 512 Cb -0.12 -0.10 -0.02 0.00 0.38 0.00 0.00 41.96 42.10 1xjk s TYR 512 CO -0.05 -1.06 0.64 -2.37 -1.52 0.00 0.00 175.55 171.19 1xjk n THR 513 N 4.20 0.49 -0.23 -3.49 5.66 -1.26 -4.91 114.28 114.75 1xjk n THR 513 Ca 0.12 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1xjk n THR 513 Cb 0.50 -1.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 1xjk n THR 513 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xjk n ARG 514 N 2.17 1.15 -3.59 1.09 1.74 -1.26 -5.30 116.66 112.66 1xjk n ARG 514 Ca 0.03 -0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 1xjk n ARG 514 Cb 0.13 -0.28 -0.11 0.00 -1.02 0.00 0.00 32.46 31.18 1xjk n ARG 514 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xjk s VAL 529 N -0.18 4.98 0.11 1.55 1.01 -1.25 -5.27 120.40 121.36 1xjk s VAL 529 Ca 0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 61.98 61.36 1xjk s VAL 529 Cb 0.00 -3.53 -0.17 0.00 0.00 0.00 0.00 36.38 32.67 1xjk s VAL 529 CO 0.00 0.05 1.03 -3.20 0.00 0.00 0.00 175.10 172.97 1xjk n ASN 530 N 5.05 0.43 0.06 3.32 2.85 0.15 -4.84 115.26 122.28 1xjk n ASN 530 Ca -0.13 1.14 -0.07 0.00 -0.11 0.00 0.00 54.58 55.41 1xjk n ASN 530 Cb 0.50 -1.06 0.08 0.00 1.24 0.00 0.00 39.78 40.53 1xjk n ASN 530 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1xjk h GLN 531 N 2.91 0.34 -0.28 1.20 4.15 -1.97 -2.04 115.11 119.42 1xjk h GLN 531 Ca -0.43 -0.24 -0.18 0.00 0.77 0.00 0.00 58.65 58.56 1xjk h GLN 531 Cb 1.39 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 29.12 1xjk h GLN 531 CO 0.67 0.86 -0.54 0.28 -1.93 0.00 0.00 178.83 178.17 1xjk h VAL 532 N 0.25 1.28 -0.74 2.39 2.07 -1.96 -2.50 116.25 117.04 1xjk h VAL 532 Ca -0.01 -1.73 -0.04 0.00 0.82 0.00 0.00 66.70 65.75 1xjk h VAL 532 Cb 1.16 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 1xjk h VAL 532 CO 0.10 0.56 0.31 0.25 0.02 0.00 0.00 177.57 178.81 1xjk h LEU 533 N 0.65 1.00 -0.85 2.57 5.85 -1.90 -0.75 115.31 121.88 1xjk h LEU 533 Ca 0.02 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1xjk h LEU 533 Cb 1.13 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 1xjk h LEU 533 CO 0.12 0.88 0.52 -0.09 -0.34 0.00 0.00 178.44 179.53 1xjk h ARG 534 N 1.07 1.16 0.52 1.25 2.43 -1.21 0.11 114.38 119.71 1xjk h ARG 534 Ca 0.25 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1xjk h ARG 534 Cb 0.18 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1xjk h ARG 534 CO -0.02 0.81 -0.25 0.93 -1.51 0.00 0.00 179.97 179.93 1xjk h GLU 535 N 1.17 -0.67 -0.30 0.20 5.08 -1.17 -3.37 114.58 115.53 1xjk h GLU 535 Ca 0.31 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1xjk h GLU 535 Cb -0.05 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1xjk h GLU 535 CO -0.06 -0.44 -0.08 0.87 -1.00 0.00 0.00 179.01 178.30 1xjk h LYS 536 N -1.18 0.48 -6.27 2.33 1.79 -1.11 -3.42 116.57 109.19 1xjk h LYS 536 Ca -0.07 -0.12 -0.55 0.00 -2.18 0.00 0.00 60.65 57.73 1xjk h LYS 536 Cb 0.54 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1xjk h LYS 536 CO 0.12 0.58 0.25 -1.17 -1.08 0.00 0.00 179.45 178.14 1xjk s LEU 537 N -8.92 4.36 -0.03 2.94 2.96 0.36 -5.00 118.68 115.36 1xjk s LEU 537 Ca -0.07 1.48 -0.33 0.00 -0.22 0.00 0.00 54.13 54.98 1xjk s LEU 537 Cb 0.15 -3.37 -0.12 0.00 0.50 0.00 0.00 46.19 43.36 1xjk s LEU 537 CO 0.77 -0.18 1.85 -3.20 -1.32 0.00 0.00 176.35 174.27 1xjk n ASN 538 N 3.72 3.53 -4.63 3.68 2.85 -1.26 -4.80 115.26 118.35 1xjk n ASN 538 Ca 0.03 0.98 -0.30 0.00 -0.11 0.00 0.00 54.58 55.17 1xjk n ASN 538 Cb 0.51 -1.41 0.19 0.00 1.24 0.00 0.00 39.78 40.31 1xjk n ASN 538 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 1xjk s PRO 539 N 3.61 0.58 0.00 1.20 0.02 -1.26 -1.77 135.00 137.38 1xjk s PRO 539 Ca 0.90 1.38 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1xjk s PRO 539 Cb -0.65 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1xjk s PRO 539 CO 0.48 -2.88 0.00 -1.91 -0.33 0.00 0.00 177.00 172.36 1xjk n GLU 540 N -4.39 0.00 -0.19 5.54 0.00 -1.26 -4.35 120.64 115.99 1xjk n GLU 540 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.17 1xjk n GLU 540 Cb 0.53 -0.03 0.02 0.00 0.00 0.00 0.00 31.44 31.95 1xjk n GLU 540 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1xjk h ILE 541 N 0.00 1.24 -0.24 6.31 2.04 -1.91 0.33 117.51 125.28 1xjk h ILE 541 Ca 0.00 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1xjk h ILE 541 Cb 0.00 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1xjk h ILE 541 CO 0.00 0.30 0.08 0.25 0.00 0.00 0.00 178.15 178.78 1xjk h LEU 542 N 0.76 0.34 -0.63 1.44 6.46 -1.54 -2.70 115.31 119.44 1xjk h LEU 542 Ca 0.18 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 1xjk h LEU 542 Cb 0.29 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1xjk h LEU 542 CO -0.00 0.44 0.15 0.11 -0.62 0.00 0.00 178.44 178.52 1xjk h LYS 543 N 0.23 1.01 0.69 1.25 1.57 -1.83 -2.37 116.57 117.12 1xjk h LYS 543 Ca 0.08 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1xjk h LYS 543 Cb 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1xjk h LYS 543 CO -0.00 0.92 -0.45 -0.09 -0.57 0.00 0.00 179.45 179.25 1xjk h ARG 544 N 0.93 -1.04 0.00 3.15 2.43 -0.93 -3.33 114.38 115.59 1xjk h ARG 544 Ca 0.20 0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 1xjk h ARG 544 Cb 0.36 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1xjk h ARG 544 CO 0.00 -0.69 -0.41 -0.84 -1.51 0.00 0.00 179.97 176.52 1xjk h ILE 545 N -1.07 0.76 -0.42 1.20 3.07 -1.49 -3.37 117.51 116.18 1xjk h ILE 545 Ca -0.09 -1.90 0.12 0.00 1.55 0.00 0.00 64.86 64.54 1xjk h ILE 545 Cb 0.87 2.25 -0.02 0.00 -0.27 0.00 0.00 36.82 39.65 1xjk h ILE 545 CO 0.08 0.41 0.68 1.05 -1.05 0.00 0.00 178.15 179.31 1xjk h GLU 546 N 0.00 0.00 0.00 0.16 4.11 -1.54 0.14 114.58 117.45 1xjk h GLU 546 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1xjk h GLU 546 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1xjk h GLU 546 CO 0.05 0.00 -0.02 1.57 0.07 0.00 0.00 179.01 180.69 1xjk h LYS 547 N 0.00 0.01 -0.89 1.06 2.10 -1.83 -2.96 116.57 114.06 1xjk h LYS 547 Ca 0.20 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.86 1xjk h LYS 547 Cb 1.55 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.83 1xjk h LYS 547 CO -0.00 0.88 0.58 1.49 -2.00 0.00 0.00 179.45 180.40 1xjk h GLU 548 N -0.86 1.12 -0.78 0.07 4.81 -1.04 -2.51 114.58 115.38 1xjk h GLU 548 Ca -0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1xjk h GLU 548 Cb 0.89 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1xjk h GLU 548 CO 0.00 0.74 0.41 1.25 -0.73 0.00 0.00 179.01 180.68 1xjk h LEU 549 N 1.15 0.98 -0.91 1.64 5.85 -1.41 -0.17 115.31 122.44 1xjk h LEU 549 Ca 0.34 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1xjk h LEU 549 Cb -0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1xjk h LEU 549 CO -0.10 0.80 0.10 0.40 -0.34 0.00 0.00 178.44 179.30 1xjk h ILE 550 N 1.09 1.24 0.16 4.05 2.04 -1.28 0.50 117.51 125.31 1xjk h ILE 550 Ca 0.27 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1xjk h ILE 550 Cb 0.06 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1xjk h ILE 550 CO -0.04 0.34 -0.08 -0.33 0.00 0.00 0.00 178.15 178.04 1xjk h GLU 551 N 0.85 -0.21 0.00 2.37 5.08 -1.24 -3.35 114.58 118.08 1xjk h GLU 551 Ca 0.18 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1xjk h GLU 551 Cb 0.37 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1xjk h GLU 551 CO 0.01 0.17 -0.17 0.87 -1.00 0.00 0.00 179.01 178.88 1xjk h LYS 552 N -0.95 0.00 -0.26 2.33 1.57 -1.10 -3.47 116.57 114.69 1xjk h LYS 552 Ca -0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1xjk h LYS 552 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1xjk h LYS 552 CO 0.04 0.17 -0.10 0.41 -0.57 0.00 0.00 179.45 179.40 1xjk n GLY 553 N 0.48 0.75 3.50 3.86 0.00 0.17 -4.96 105.19 108.98 1xjk n GLY 553 Ca 0.01 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1xjk n GLY 553 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xjk s SER 554 N -2.50 -0.52 0.41 1.61 0.15 -1.25 -4.79 113.70 106.82 1xjk s SER 554 Ca 0.00 0.29 0.23 0.00 0.70 0.00 0.00 55.95 57.17 1xjk s SER 554 Cb 0.00 0.48 0.33 0.00 -1.71 0.00 0.00 66.02 65.13 1xjk s SER 554 CO 0.00 -0.68 1.57 -0.07 1.20 0.00 0.00 173.24 175.27 1xjk h LEU 555 N 2.40 0.00 -0.83 3.45 3.38 -1.92 -3.41 115.31 118.39 1xjk h LEU 555 Ca -0.27 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.85 1xjk h LEU 555 Cb 1.22 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.82 1xjk h LEU 555 CO 0.36 0.00 -0.29 0.50 0.09 0.00 0.00 178.44 179.09 1xjk h LYS 556 N 0.00 -0.04 -0.46 1.13 3.64 -1.94 -1.17 116.57 117.73 1xjk h LYS 556 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1xjk h LYS 556 Cb 0.99 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.68 1xjk h LYS 556 CO 0.00 -0.03 0.04 -0.25 -2.27 0.00 0.00 179.45 176.94 1xjk n ASP 557 N -5.50 2.70 -4.56 4.20 8.00 -1.26 -4.83 116.55 115.29 1xjk n ASP 557 Ca 0.10 -3.75 -0.41 0.00 0.71 0.00 0.00 54.79 51.44 1xjk n ASP 557 Cb 0.41 -0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 1xjk n ASP 557 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xjk s ILE 558 N -3.25 5.01 0.34 0.53 1.01 -0.45 -5.09 121.20 119.30 1xjk s ILE 558 Ca 0.47 0.42 -0.15 0.00 0.00 0.00 0.00 60.65 61.39 1xjk s ILE 558 Cb 0.42 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 1xjk s ILE 558 CO 0.02 -0.20 0.75 -2.16 0.00 0.00 0.00 174.94 173.34 1xjk s PRO 559 N 2.42 3.99 -0.73 2.79 0.05 -1.26 -4.09 135.00 138.17 1xjk s PRO 559 Ca 0.20 0.67 -0.03 0.00 0.05 0.00 0.00 61.00 61.88 1xjk s PRO 559 Cb -0.15 -2.41 0.00 0.00 0.05 0.00 0.00 34.50 31.99 1xjk s PRO 559 CO 0.13 0.13 0.63 -0.25 0.05 0.00 0.00 177.00 177.69 1xjk n ASP 560 N -0.48 -3.60 -4.15 6.66 10.43 -1.26 -5.07 116.55 119.09 1xjk n ASP 560 Ca 0.04 -0.32 -0.29 0.00 2.57 0.00 0.00 54.79 56.79 1xjk n ASP 560 Cb 0.53 -3.06 -0.17 0.00 1.84 0.00 0.00 41.12 40.27 1xjk n ASP 560 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1xjk s VAL 561 N -3.19 1.67 0.17 2.53 0.11 -1.26 -5.10 120.40 115.33 1xjk s VAL 561 Ca 0.21 -0.80 -0.34 0.00 -2.93 0.00 0.00 61.98 58.12 1xjk s VAL 561 Cb -0.09 -1.46 -0.15 0.00 -1.53 0.00 0.00 36.38 33.15 1xjk s VAL 561 CO 0.41 0.47 1.35 -2.65 -3.33 0.00 0.00 175.10 171.35 1xjk n PRO 562 N 3.53 1.58 -0.44 1.54 -0.02 -1.26 -4.69 135.00 135.24 1xjk n PRO 562 Ca -0.20 0.57 0.36 0.00 -2.02 0.00 0.00 63.50 62.21 1xjk n PRO 562 Cb 0.52 -2.19 0.66 0.00 -0.02 0.00 0.00 33.50 32.47 1xjk n PRO 562 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xjk h GLU 563 N 4.39 0.12 0.03 -0.52 4.57 -1.99 0.51 114.58 121.67 1xjk h GLU 563 Ca -0.45 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 57.51 1xjk h GLU 563 Cb 1.31 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1xjk h GLU 563 CO 0.77 0.08 -0.99 0.87 -1.18 0.00 0.00 179.01 178.56 1xjk h LYS 564 N 0.12 0.11 -0.29 1.92 1.57 -1.99 -1.74 116.57 116.27 1xjk h LYS 564 Ca 0.76 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 59.31 1xjk h LYS 564 Cb 2.49 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.84 1xjk h LYS 564 CO -0.29 1.00 -0.10 0.82 -0.57 0.00 0.00 179.45 180.31 1xjk h ILE 565 N 0.04 1.29 -0.41 1.86 1.08 -1.44 -2.80 117.51 117.13 1xjk h ILE 565 Ca -0.04 -1.17 0.05 0.00 -0.39 0.00 0.00 64.86 63.31 1xjk h ILE 565 Cb 1.69 1.44 -0.04 0.00 -3.07 0.00 0.00 36.82 36.84 1xjk h ILE 565 CO 0.14 0.37 0.15 0.11 -0.69 0.00 0.00 178.15 178.24 1xjk h LYS 566 N 0.34 0.32 -0.15 2.37 1.57 -0.99 -1.86 116.57 118.16 1xjk h LYS 566 Ca 0.07 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1xjk h LYS 566 Cb 0.60 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1xjk h LYS 566 CO 0.04 0.21 -0.38 0.87 -0.57 0.00 0.00 179.45 179.61 1xjk h LYS 567 N 0.33 0.32 0.09 3.15 1.57 -1.29 -3.32 116.57 117.42 1xjk h LYS 567 Ca 0.19 -0.15 -0.30 0.00 -1.87 0.00 0.00 60.65 58.52 1xjk h LYS 567 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1xjk h LYS 567 CO -0.19 0.66 -1.58 0.28 -0.57 0.00 0.00 179.45 178.06 1xjk h VAL 568 N 0.27 0.85 -0.49 0.50 2.07 -1.44 -3.39 116.25 114.63 1xjk h VAL 568 Ca 0.03 -2.32 -0.51 0.00 0.82 0.00 0.00 66.70 64.72 1xjk h VAL 568 Cb 0.80 2.51 -0.08 0.00 -1.52 0.00 0.00 31.29 33.00 1xjk h VAL 568 CO 0.06 0.67 1.55 0.49 0.02 0.00 0.00 177.57 180.36 1xjk n PHE 569 N -3.90 1.58 -2.43 1.57 3.01 -0.71 -4.54 117.46 112.04 1xjk n PHE 569 Ca -0.29 -2.32 -0.40 0.00 1.01 0.00 0.00 57.45 55.44 1xjk n PHE 569 Cb 0.89 -1.84 -0.04 0.00 -0.01 0.00 0.00 39.48 38.48 1xjk n PHE 569 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1xjk s VAL 570 N 0.11 3.41 0.43 -4.37 -7.23 -1.26 -4.73 120.40 106.77 1xjk s VAL 570 Ca 0.63 1.41 0.08 0.00 -1.81 0.00 0.00 61.98 62.29 1xjk s VAL 570 Cb 0.27 -3.90 -0.00 0.00 0.56 0.00 0.00 36.38 33.31 1xjk s VAL 570 CO -0.09 0.33 0.49 0.68 -0.31 0.00 0.00 175.10 176.20 1xjk s VAL 571 N -1.08 2.78 0.29 1.32 -7.23 -1.26 -4.52 120.40 110.69 1xjk s VAL 571 Ca 0.45 -1.16 0.03 0.00 -1.81 0.00 0.00 61.98 59.49 1xjk s VAL 571 Cb -0.33 -2.95 0.29 0.00 0.56 0.00 0.00 36.38 33.95 1xjk s VAL 571 CO 0.42 0.00 1.80 0.00 -0.31 0.00 0.00 175.10 177.01 1xjk h ALA 572 N 0.80 1.57 0.00 1.32 0.00 -1.39 -1.89 119.26 119.66 1xjk h ALA 572 Ca -0.40 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xjk h ALA 572 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xjk h ALA 572 CO 0.51 0.07 -0.43 1.28 0.00 0.00 0.00 179.25 180.67 1xjk n LEU 573 N -4.71 0.46 0.25 0.00 4.77 -1.26 -2.66 117.00 113.85 1xjk n LEU 573 Ca 0.21 0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.48 1xjk n LEU 573 Cb 0.47 -0.28 0.60 0.00 -2.33 0.00 0.00 43.42 41.88 1xjk n LEU 573 CO 0.24 0.06 0.91 0.44 -1.33 0.00 0.00 177.39 177.71 1xjk h ASP 574 N 0.00 0.00 -3.82 -1.43 3.32 -1.73 -3.44 116.42 109.32 1xjk h ASP 574 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1xjk h ASP 574 Cb 0.56 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.95 1xjk h ASP 574 CO 0.00 0.11 -0.45 -0.63 -1.72 0.00 0.00 179.24 176.55 1xjk s ILE 575 N -3.72 5.28 0.70 0.35 1.01 -1.09 -4.98 121.20 118.76 1xjk s ILE 575 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 1xjk s ILE 575 Cb 0.10 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 39.02 1xjk s ILE 575 CO 0.58 0.24 1.10 1.51 0.00 0.00 0.00 174.94 178.38 1xjk s ASP 576 N 1.64 4.89 0.46 3.58 1.47 -1.26 -4.74 116.67 122.71 1xjk s ASP 576 Ca 0.09 1.92 0.19 0.00 1.18 0.00 0.00 52.55 55.93 1xjk s ASP 576 Cb -0.16 -2.54 1.17 0.00 -0.34 0.00 0.00 42.92 41.05 1xjk s ASP 576 CO 0.10 -1.78 1.92 -0.65 0.68 0.00 0.00 175.17 175.45 1xjk h PRO 577 N -0.43 0.28 -0.19 2.11 0.11 -1.95 -1.74 132.00 130.19 1xjk h PRO 577 Ca -0.45 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 1xjk h PRO 577 Cb 1.24 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1xjk h PRO 577 CO 0.53 0.19 -0.71 0.52 -0.21 0.00 0.00 178.00 178.32 1xjk h MET 578 N 0.29 0.81 -0.80 1.05 2.86 -1.93 -0.92 114.93 116.29 1xjk h MET 578 Ca 0.37 -0.61 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1xjk h MET 578 Cb 1.01 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.73 1xjk h MET 578 CO -0.09 1.23 0.52 -0.44 1.06 0.00 0.00 176.91 179.18 1xjk h ASP 579 N 0.57 0.87 -0.05 1.22 3.32 -1.70 0.55 116.42 121.21 1xjk h ASP 579 Ca -0.03 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1xjk h ASP 579 Cb 1.33 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.63 1xjk h ASP 579 CO 0.15 0.61 -0.22 0.45 -1.72 0.00 0.00 179.24 178.51 1xjk h HIS 580 N 1.03 -0.59 -0.48 4.55 3.86 -1.38 -0.16 115.15 121.98 1xjk h HIS 580 Ca 0.31 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.49 1xjk h HIS 580 Cb -0.03 0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1xjk h HIS 580 CO -0.02 -0.31 0.07 1.25 0.86 0.00 0.00 177.93 179.78 1xjk h LEU 581 N -0.33 0.70 -0.39 2.43 5.85 -0.64 -2.23 115.31 120.70 1xjk h LEU 581 Ca 0.08 -0.13 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 1xjk h LEU 581 Cb 0.43 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1xjk h LEU 581 CO -0.24 0.72 -0.79 -0.07 -0.34 0.00 0.00 178.44 177.73 1xjk h LEU 582 N 0.72 0.31 -0.75 2.25 3.38 0.13 -1.85 115.31 119.51 1xjk h LEU 582 Ca 0.15 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1xjk h LEU 582 Cb 0.33 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1xjk h LEU 582 CO 0.01 0.98 0.46 -0.03 0.09 0.00 0.00 178.44 179.94 1xjk h MET 583 N 0.16 0.84 -0.27 1.13 4.05 -0.63 -2.49 114.93 117.73 1xjk h MET 583 Ca -0.03 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1xjk h MET 583 Cb 1.37 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.97 1xjk h MET 583 CO 0.12 0.56 0.16 0.37 0.23 0.00 0.00 176.91 178.35 1xjk h GLN 584 N 0.87 0.31 -0.70 0.39 4.15 -1.09 -2.21 115.11 116.83 1xjk h GLN 584 Ca 0.31 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 1xjk h GLN 584 Cb 0.09 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1xjk h GLN 584 CO -0.14 0.21 0.41 0.22 -1.93 0.00 0.00 178.83 177.59 1xjk h ASP 585 N 0.32 0.85 -0.20 -0.69 1.82 -1.31 0.85 116.42 118.05 1xjk h ASP 585 Ca 0.10 -0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1xjk h ASP 585 Cb -0.01 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.78 1xjk h ASP 585 CO -0.05 0.66 0.06 0.00 -1.61 0.00 0.00 179.24 178.31 1xjk h ALA 586 N 1.48 0.26 -0.39 -0.78 0.00 -1.08 -2.84 119.26 115.92 1xjk h ALA 586 Ca 0.25 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1xjk h ALA 586 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xjk h ALA 586 CO -0.05 -0.11 -0.26 0.74 0.00 0.00 0.00 179.25 179.57 1xjk h PHE 587 N 0.15 1.00 0.00 0.00 0.04 -1.19 -3.23 116.94 113.72 1xjk h PHE 587 Ca 0.07 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1xjk h PHE 587 Cb 0.23 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1xjk h PHE 587 CO 0.00 1.06 0.00 0.37 -0.60 0.00 0.00 178.31 179.14 1xjk h GLN 588 N 0.66 0.00 0.00 1.51 5.75 -0.72 -2.52 115.11 119.79 1xjk h GLN 588 Ca 0.08 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1xjk h GLN 588 Cb 0.83 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.38 1xjk h GLN 588 CO 0.07 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.25 1xjk h ARG 589 N 0.00 0.00 0.00 1.69 3.08 -1.52 -3.24 114.38 114.39 1xjk h ARG 589 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1xjk h ARG 589 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1xjk h ARG 589 CO 0.00 0.00 -0.29 0.66 -1.07 0.00 0.00 179.97 179.27 1xjk n TYR 590 N -3.00 0.00 -4.45 3.04 4.01 -0.95 0.23 117.16 116.04 1xjk n TYR 590 Ca 0.01 -1.03 -0.25 0.00 -0.16 0.00 0.00 57.90 56.48 1xjk n TYR 590 Cb 0.33 -0.17 -0.17 0.00 -0.31 0.00 0.00 39.34 39.02 1xjk n TYR 590 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xjk s VAL 591 N -2.50 1.08 -0.14 -0.72 1.01 -1.22 -4.62 120.40 113.28 1xjk s VAL 591 Ca 0.31 -0.43 0.17 0.00 0.00 0.00 0.00 61.98 62.03 1xjk s VAL 591 Cb 0.29 -1.01 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 1xjk s VAL 591 CO -0.02 0.35 0.95 -2.24 0.00 0.00 0.00 175.10 174.14 1xjk h ASP 592 N 7.17 0.00 0.00 3.32 -0.00 -1.75 -3.43 116.42 121.73 1xjk h ASP 592 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.72 1xjk h ASP 592 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 1xjk h ASP 592 CO 0.46 0.49 0.00 0.59 -0.00 0.00 0.00 179.24 180.78 1xjk n ASN 593 N -2.92 0.00 -1.27 4.15 3.02 -0.98 -4.91 115.26 112.35 1xjk n ASN 593 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1xjk n ASN 593 Cb 0.78 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1xjk n ASN 593 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xjk n ASN 594 N 0.00 1.87 -3.76 6.41 3.02 0.10 -4.93 115.26 117.97 1xjk n ASN 594 Ca 0.00 -0.63 -0.14 0.00 -0.03 0.00 0.00 54.58 53.77 1xjk n ASN 594 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1xjk n ASN 594 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xjk s ILE 595 N -0.16 -0.06 -0.53 2.41 1.01 -1.26 -3.02 121.20 119.59 1xjk s ILE 595 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.57 1xjk s ILE 595 Cb 0.00 -0.15 0.03 0.00 0.01 0.00 0.00 42.46 42.35 1xjk s ILE 595 CO 0.00 0.09 1.17 -0.55 0.00 0.00 0.00 174.94 175.64 1xjk s SER 596 N 1.14 6.53 -0.02 3.58 0.15 -0.34 -4.67 113.70 120.08 1xjk s SER 596 Ca -0.09 0.27 -0.00 0.00 0.70 0.00 0.00 55.95 56.83 1xjk s SER 596 Cb -0.12 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 1xjk s SER 596 CO -0.04 -1.38 0.03 -0.75 1.20 0.00 0.00 173.24 172.30 1xjk s LYS 597 N 4.73 -0.03 -0.17 5.44 2.47 -1.26 -4.67 119.74 126.25 1xjk s LYS 597 Ca 0.45 0.21 -0.19 0.00 -1.56 0.00 0.00 55.97 54.89 1xjk s LYS 597 Cb -0.07 -0.30 -0.04 0.00 -1.46 0.00 0.00 37.83 35.97 1xjk s LYS 597 CO 0.29 -0.19 0.51 0.99 0.16 0.00 0.00 175.35 177.11 1xjk s THR 598 N 1.22 5.13 -0.85 3.43 2.01 -1.26 -4.23 115.64 121.09 1xjk s THR 598 Ca -0.07 0.97 -0.21 0.00 0.31 0.00 0.00 61.69 62.69 1xjk s THR 598 Cb -0.13 -3.84 0.09 0.00 0.01 0.00 0.00 72.50 68.63 1xjk s THR 598 CO -0.03 0.23 1.15 -0.63 -0.69 0.00 0.00 174.62 174.65 1xjk s ILE 599 N 1.27 4.39 0.16 1.82 -1.09 0.88 -4.95 121.20 123.68 1xjk s ILE 599 Ca 0.25 -0.92 -0.31 0.00 -2.23 0.00 0.00 60.65 57.44 1xjk s ILE 599 Cb -0.15 -4.81 -0.10 0.00 -1.58 0.00 0.00 42.46 35.82 1xjk s ILE 599 CO 0.10 -1.60 1.55 0.20 -1.23 0.00 0.00 174.94 173.96 1xjk s ASN 600 N 3.91 6.61 0.05 3.58 -0.87 -1.26 -1.03 114.94 125.93 1xjk s ASN 600 Ca 0.32 2.59 0.08 0.00 -1.57 0.00 0.00 52.86 54.29 1xjk s ASN 600 Cb -0.08 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.25 38.53 1xjk s ASN 600 CO -0.02 -0.81 -0.22 -0.04 -2.57 0.00 0.00 177.10 173.44 1xjk s MET 601 N 1.08 1.89 0.71 -0.60 -1.94 0.06 -4.19 119.30 116.31 1xjk s MET 601 Ca 0.69 -1.08 -0.15 0.00 -1.71 0.00 0.00 55.69 53.44 1xjk s MET 601 Cb -0.43 -2.07 0.03 0.00 2.01 0.00 0.00 34.83 34.37 1xjk s MET 601 CO 0.32 0.52 1.20 -1.25 -0.01 0.00 0.00 175.02 175.79 1xjk s PRO 602 N -1.43 2.25 0.55 2.03 0.04 -1.26 -0.92 135.00 136.27 1xjk s PRO 602 Ca 0.13 1.74 0.33 0.00 0.04 0.00 0.00 61.00 63.24 1xjk s PRO 602 Cb -0.10 -1.85 1.49 0.00 0.04 0.00 0.00 34.50 34.07 1xjk s PRO 602 CO 0.04 -1.74 1.84 0.37 0.04 0.00 0.00 177.00 177.54 1xjk h GLN 603 N -0.18 0.00 -0.01 4.56 4.15 -1.97 -0.66 115.11 121.00 1xjk h GLN 603 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1xjk h GLN 603 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1xjk h GLN 603 CO 0.50 0.00 -0.19 -1.13 -1.93 0.00 0.00 178.83 176.08 1xjk n SER 604 N -4.09 1.29 -4.56 -0.69 3.41 -1.26 -4.91 113.62 102.82 1xjk n SER 604 Ca 0.19 -1.14 -0.40 0.00 -0.26 0.00 0.00 58.87 57.27 1xjk n SER 604 Cb 1.04 0.12 0.03 0.00 -0.26 0.00 0.00 64.21 65.13 1xjk n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjk n ALA 605 N -0.31 -0.36 -2.38 7.33 0.00 -0.26 -5.02 120.51 119.51 1xjk n ALA 605 Ca 0.14 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.45 1xjk n ALA 605 Cb 0.37 -1.99 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 1xjk n ALA 605 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xjk s THR 606 N -1.47 2.49 0.46 0.00 -4.23 -1.26 -4.98 115.64 106.66 1xjk s THR 606 Ca 0.68 -1.59 0.14 0.00 -1.18 0.00 0.00 61.69 59.73 1xjk s THR 606 Cb -0.50 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 70.56 1xjk s THR 606 CO 0.54 -0.02 2.04 0.58 -0.54 0.00 0.00 174.62 177.22 1xjk h VAL 607 N 1.33 1.09 -0.18 2.29 2.07 -1.95 -1.04 116.25 119.85 1xjk h VAL 607 Ca -0.42 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 1xjk h VAL 607 Cb 1.26 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1xjk h VAL 607 CO 0.66 0.12 -0.32 0.44 0.02 0.00 0.00 177.57 178.49 1xjk h ASP 608 N 0.08 0.37 -0.98 0.57 3.32 -1.96 -1.62 116.42 116.20 1xjk h ASP 608 Ca 0.02 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1xjk h ASP 608 Cb 0.18 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 1xjk h ASP 608 CO 0.01 0.67 0.64 0.44 -1.72 0.00 0.00 179.24 179.28 1xjk h ASP 609 N 0.31 1.07 -0.32 6.45 3.32 -1.57 -2.27 116.42 123.41 1xjk h ASP 609 Ca 0.04 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1xjk h ASP 609 Cb 0.72 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1xjk h ASP 609 CO 0.05 0.73 0.02 0.58 -1.72 0.00 0.00 179.24 178.91 1xjk h VAL 610 N 1.24 1.25 -0.98 -1.35 2.07 -1.23 -1.84 116.25 115.41 1xjk h VAL 610 Ca 0.39 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 67.06 1xjk h VAL 610 Cb -0.01 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1xjk h VAL 610 CO -0.12 0.29 0.64 -0.07 0.02 0.00 0.00 177.57 178.33 1xjk h LEU 611 N 0.35 1.05 -0.69 2.57 3.38 -1.14 -1.20 115.31 119.64 1xjk h LEU 611 Ca 0.09 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1xjk h LEU 611 Cb 0.40 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1xjk h LEU 611 CO 0.01 0.71 0.28 0.78 0.09 0.00 0.00 178.44 180.31 1xjk h ASN 612 N 1.21 0.95 -0.92 -0.43 2.35 -1.30 0.17 115.58 117.62 1xjk h ASN 612 Ca 0.40 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 56.02 1xjk h ASN 612 Cb 0.05 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.12 1xjk h ASN 612 CO -0.13 0.86 0.60 0.58 -1.65 0.00 0.00 177.43 177.69 1xjk h VAL 613 N 0.98 1.13 -0.19 2.81 2.07 -0.76 -1.14 116.25 121.15 1xjk h VAL 613 Ca 0.23 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1xjk h VAL 613 Cb 0.21 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1xjk h VAL 613 CO -0.02 0.20 -0.13 1.88 0.02 0.00 0.00 177.57 179.52 1xjk h TYR 614 N 1.12 0.49 -0.15 1.57 0.05 0.09 -0.33 116.97 119.81 1xjk h TYR 614 Ca 0.38 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 1xjk h TYR 614 Cb 0.07 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1xjk h TYR 614 CO -0.00 0.75 0.09 -0.07 -1.05 0.00 0.00 178.16 177.88 1xjk h LEU 615 N 0.09 0.18 -1.19 3.88 3.38 -0.60 -1.45 115.31 119.60 1xjk h LEU 615 Ca 0.04 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1xjk h LEU 615 Cb 0.64 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1xjk h LEU 615 CO 0.04 0.16 0.57 -0.08 0.09 0.00 0.00 178.44 179.21 1xjk h GLU 616 N 0.18 0.94 -0.58 1.13 4.57 -1.20 -1.93 114.58 117.69 1xjk h GLU 616 Ca 0.05 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1xjk h GLU 616 Cb 0.01 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 1xjk h GLU 616 CO -0.01 0.62 0.37 0.00 -1.18 0.00 0.00 179.01 178.81 1xjk h ALA 617 N 1.53 0.75 0.00 2.92 0.00 -0.53 -1.37 119.26 122.56 1xjk h ALA 617 Ca 0.38 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1xjk h ALA 617 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xjk h ALA 617 CO -0.14 0.13 -0.20 -0.07 0.00 0.00 0.00 179.25 178.97 1xjk h LEU 618 N 0.74 0.00 0.00 0.00 3.38 -0.50 -3.11 115.31 115.83 1xjk h LEU 618 Ca 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 1xjk h LEU 618 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1xjk h LEU 618 CO -0.07 0.20 -0.88 0.03 0.09 0.00 0.00 178.44 177.81 1xjk h ARG 619 N 0.00 0.00 0.00 1.13 3.08 -1.00 -3.43 114.38 114.16 1xjk h ARG 619 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1xjk h ARG 619 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1xjk h ARG 619 CO 0.03 0.41 0.02 0.25 -1.07 0.00 0.00 179.97 179.61 1xjk n THR 620 N -3.08 0.00 -0.03 2.04 -2.24 -0.58 -5.01 114.28 105.38 1xjk n THR 620 Ca -0.03 -0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.79 1xjk n THR 620 Cb 0.77 -1.80 0.28 0.00 -2.10 0.00 0.00 70.33 67.48 1xjk n THR 620 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xjk n ASN 621 N -3.03 3.46 -4.76 3.42 3.02 -1.26 -4.99 115.26 111.11 1xjk n ASN 621 Ca 0.01 -2.05 -0.36 0.00 -0.03 0.00 0.00 54.58 52.15 1xjk n ASN 621 Cb 0.03 -0.43 0.01 0.00 -0.61 0.00 0.00 39.78 38.78 1xjk n ASN 621 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xjk s VAL 622 N -1.24 2.84 -2.64 2.41 -7.23 -1.26 -4.85 120.40 108.43 1xjk s VAL 622 Ca 0.42 0.57 0.22 0.00 -1.81 0.00 0.00 61.98 61.38 1xjk s VAL 622 Cb 0.23 -3.26 0.27 0.00 0.56 0.00 0.00 36.38 34.18 1xjk s VAL 622 CO 0.28 -0.07 1.28 0.54 -0.31 0.00 0.00 175.10 176.81 1xjk n ARG 623 N -1.12 2.26 -3.81 4.82 3.00 -1.26 -4.93 116.66 115.62 1xjk n ARG 623 Ca 0.11 -2.00 0.04 0.00 -0.01 0.00 0.00 57.85 55.99 1xjk n ARG 623 Cb 0.49 -1.46 0.01 0.00 0.00 0.00 0.00 32.46 31.50 1xjk n ARG 623 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1xjk s GLY 624 N -1.71 -0.35 -0.17 -0.13 0.00 -1.26 -0.53 107.32 103.18 1xjk s GLY 624 Ca 0.30 0.54 -0.10 0.00 0.00 0.00 0.00 44.72 45.46 1xjk s GLY 624 CO 0.29 3.71 0.41 -0.42 0.00 0.00 0.00 173.10 177.09 1xjk s ILE 625 N -2.02 -0.02 -0.07 0.90 -1.09 -0.49 -4.98 121.20 113.43 1xjk s ILE 625 Ca 0.24 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.76 1xjk s ILE 625 Cb 0.04 -0.60 0.01 0.00 -1.58 0.00 0.00 42.46 40.33 1xjk s ILE 625 CO -0.05 0.03 -0.12 -0.89 -1.23 0.00 0.00 174.94 172.69 1xjk s THR 626 N 1.20 1.11 0.18 2.92 2.01 -1.26 -1.19 115.64 120.61 1xjk s THR 626 Ca -0.08 -0.45 0.10 0.00 0.31 0.00 0.00 61.69 61.57 1xjk s THR 626 Cb -0.08 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1xjk s THR 626 CO -0.10 0.35 -0.18 0.68 -0.69 0.00 0.00 174.62 174.68 1xjk s VAL 627 N 0.79 2.70 -0.21 3.82 -7.23 -1.26 -0.09 120.40 118.92 1xjk s VAL 627 Ca -0.12 -1.85 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1xjk s VAL 627 Cb -0.15 -2.31 0.11 0.00 0.56 0.00 0.00 36.38 34.59 1xjk s VAL 627 CO 0.02 -0.10 0.38 -0.47 -0.31 0.00 0.00 175.10 174.63 1xjk s TYR 628 N -1.64 -0.76 -0.17 2.82 5.04 -0.20 -4.57 117.35 117.87 1xjk s TYR 628 Ca 0.22 1.15 -0.24 0.00 -2.44 0.00 0.00 57.07 55.76 1xjk s TYR 628 Cb -0.08 0.13 -0.02 0.00 0.35 0.00 0.00 41.96 42.34 1xjk s TYR 628 CO 0.12 -0.57 0.76 0.50 -1.34 0.00 0.00 175.55 175.01 1xjk s ARG 629 N 2.56 4.28 0.04 4.97 3.52 -1.26 -0.76 118.95 132.29 1xjk s ARG 629 Ca 0.05 0.88 -0.37 0.00 -0.13 0.00 0.00 55.73 56.16 1xjk s ARG 629 Cb -0.14 -3.57 -0.16 0.00 -1.56 0.00 0.00 34.95 29.53 1xjk s ARG 629 CO -0.14 -0.27 1.44 -3.47 -0.81 0.00 0.00 175.30 172.06 1xjk n ASP 630 N 5.06 1.99 0.00 -2.12 2.03 -0.09 -1.38 116.55 122.03 1xjk n ASP 630 Ca 0.02 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.44 1xjk n ASP 630 Cb 0.49 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1xjk n ASP 630 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xjk n GLY 631 N 2.93 3.38 0.00 0.27 0.00 -1.26 -5.71 105.19 104.80 1xjk n GLY 631 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 1xjk n GLY 631 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18