#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjm s LYS 2 N 0.00 3.08 0.26 2.12 1.02 -1.26 -2.52 119.74 122.44 1xjm s LYS 2 Ca 0.00 1.83 -0.03 0.00 0.02 0.00 0.00 55.97 57.80 1xjm s LYS 2 Cb 0.00 -1.99 0.40 0.00 -0.52 0.00 0.00 37.83 35.72 1xjm s LYS 2 CO 0.00 -1.12 1.88 1.25 -0.92 0.00 0.00 175.35 176.44 1xjm h LEU 3 N 1.04 1.04 -1.72 3.17 6.46 -1.86 -1.52 115.31 121.92 1xjm h LEU 3 Ca -0.50 0.01 0.12 0.00 -0.12 0.00 0.00 57.88 57.38 1xjm h LEU 3 Cb 1.29 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1xjm h LEU 3 CO 0.56 0.66 0.40 0.77 -0.62 0.00 0.00 178.44 180.21 1xjm h SER 4 N 1.18 0.27 -0.09 1.25 4.64 -1.97 0.30 113.55 119.13 1xjm h SER 4 Ca 0.43 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.67 1xjm h SER 4 Cb 0.16 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1xjm h SER 4 CO -0.17 0.16 -0.30 0.44 -0.87 0.00 0.00 176.83 176.08 1xjm h ASP 5 N 0.30 0.43 -0.64 4.97 3.32 -1.66 -2.42 116.42 120.72 1xjm h ASP 5 Ca 0.28 -0.61 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 1xjm h ASP 5 Cb 0.69 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1xjm h ASP 5 CO -0.07 0.97 0.23 0.25 -1.72 0.00 0.00 179.24 178.90 1xjm h LEU 6 N -0.08 0.92 -0.31 1.55 5.85 -0.78 -2.38 115.31 120.08 1xjm h LEU 6 Ca -0.01 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1xjm h LEU 6 Cb 0.93 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1xjm h LEU 6 CO 0.06 0.85 -0.04 0.40 -0.34 0.00 0.00 178.44 179.38 1xjm h ILE 7 N 0.97 0.73 -0.67 4.05 2.04 -0.41 -2.15 117.51 122.08 1xjm h ILE 7 Ca 0.22 -0.02 0.17 0.00 1.00 0.00 0.00 64.86 66.23 1xjm h ILE 7 Cb 0.25 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1xjm h ILE 7 CO -0.01 0.01 0.47 0.28 0.00 0.00 0.00 178.15 178.89 1xjm h SER 8 N 0.05 0.16 0.78 1.72 0.02 -0.93 0.55 113.55 115.89 1xjm h SER 8 Ca 0.15 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1xjm h SER 8 Cb 0.22 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1xjm h SER 8 CO -0.28 0.08 -0.72 -0.09 -1.14 0.00 0.00 176.83 174.68 1xjm h ARG 9 N 0.17 0.00 0.00 3.45 2.43 -1.02 -3.37 114.38 116.04 1xjm h ARG 9 Ca 0.33 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1xjm h ARG 9 Cb 1.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1xjm h ARG 9 CO -0.05 0.72 -1.53 0.91 -1.51 0.00 0.00 179.97 178.51 1xjm n TRP 10 N -3.63 0.00 -0.03 2.20 7.02 -0.71 -4.71 117.44 117.59 1xjm n TRP 10 Ca -0.01 0.00 0.23 0.00 -1.02 0.00 0.00 57.50 56.70 1xjm n TRP 10 Cb 0.71 -0.33 0.72 0.00 -2.42 0.00 0.00 31.31 29.99 1xjm n TRP 10 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 1xjm h ILE 11 N 0.00 0.58 -0.31 -0.99 2.10 -0.08 -0.31 117.51 118.50 1xjm h ILE 11 Ca -0.13 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1xjm h ILE 11 Cb 1.02 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 1xjm h ILE 11 CO 0.01 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.55 1xjm n ASP 12 N -4.16 2.80 -4.66 2.19 8.00 -1.26 -4.55 116.55 114.91 1xjm n ASP 12 Ca 0.12 -1.93 -0.43 0.00 0.71 0.00 0.00 54.79 53.25 1xjm n ASP 12 Cb 0.71 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1xjm n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xjm s VAL 13 N -0.99 4.59 0.14 2.53 1.01 -0.13 -5.01 120.40 122.53 1xjm s VAL 13 Ca 0.22 1.91 -0.23 0.00 0.00 0.00 0.00 61.98 63.88 1xjm s VAL 13 Cb 0.12 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1xjm s VAL 13 CO 0.15 -0.22 0.70 -1.61 0.00 0.00 0.00 175.10 174.13 1xjm s GLU 14 N 3.32 4.42 0.50 2.72 0.41 -1.26 -5.00 118.70 123.81 1xjm s GLU 14 Ca 0.46 0.99 -0.20 0.00 -0.41 0.00 0.00 54.97 55.81 1xjm s GLU 14 Cb -0.16 -3.22 -0.10 0.00 -1.78 0.00 0.00 34.13 28.87 1xjm s GLU 14 CO 0.09 0.58 0.56 -2.30 -0.49 0.00 0.00 175.26 173.69 1xjm n PRO 15 N 1.55 0.59 -0.91 0.39 -0.02 -1.26 -4.93 135.00 130.41 1xjm n PRO 15 Ca -0.07 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.34 1xjm n PRO 15 Cb 0.50 -1.65 0.19 0.00 -0.02 0.00 0.00 33.50 32.51 1xjm n PRO 15 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xjm s SER 16 N -1.05 2.44 0.27 2.55 1.04 -1.26 -4.76 113.70 112.93 1xjm s SER 16 Ca 0.66 1.55 -0.01 0.00 0.48 0.00 0.00 55.95 58.64 1xjm s SER 16 Cb -0.51 -2.22 0.51 0.00 0.10 0.00 0.00 66.02 63.90 1xjm s SER 16 CO 0.56 -3.30 1.81 0.50 0.98 0.00 0.00 173.24 173.80 1xjm h LYS 17 N -2.00 0.84 0.19 4.02 3.64 -1.99 -0.82 116.57 120.45 1xjm h LYS 17 Ca -0.53 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.80 1xjm h LYS 17 Cb 1.30 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1xjm h LYS 17 CO 0.52 0.56 -0.23 -0.97 -2.27 0.00 0.00 179.45 177.06 1xjm h ASN 18 N 0.87 -0.63 -0.82 4.20 -1.24 -1.97 -2.75 115.58 113.24 1xjm h ASN 18 Ca 0.47 0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.58 1xjm h ASN 18 Cb 0.49 0.22 -0.05 0.00 0.73 0.00 0.00 38.32 39.71 1xjm h ASN 18 CO -0.28 -0.33 0.52 0.00 -1.29 0.00 0.00 177.43 176.05 1xjm h ALA 19 N 0.25 1.10 -0.18 1.57 0.00 -1.71 -2.63 119.26 117.66 1xjm h ALA 19 Ca 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xjm h ALA 19 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xjm h ALA 19 CO -0.08 0.31 -0.10 1.96 0.00 0.00 0.00 179.25 181.33 1xjm h GLN 20 N 0.98 0.28 -0.20 0.00 4.20 -1.02 -1.48 115.11 117.87 1xjm h GLN 20 Ca 0.34 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1xjm h GLN 20 Cb 0.07 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1xjm h GLN 20 CO -0.14 0.39 0.00 0.82 -0.67 0.00 0.00 178.83 179.24 1xjm h ILE 21 N 0.26 1.25 -0.63 2.54 2.04 -1.17 -1.34 117.51 120.47 1xjm h ILE 21 Ca 0.06 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.09 1xjm h ILE 21 Cb 0.36 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1xjm h ILE 21 CO 0.02 0.26 0.38 0.40 0.00 0.00 0.00 178.15 179.21 1xjm h ILE 22 N 0.11 1.07 -0.46 -0.67 2.04 -1.32 0.86 117.51 119.13 1xjm h ILE 22 Ca 0.06 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1xjm h ILE 22 Cb 0.38 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1xjm h ILE 22 CO 0.01 0.14 0.12 -0.07 0.00 0.00 0.00 178.15 178.35 1xjm h LEU 23 N 0.75 0.69 -0.38 1.44 3.38 -1.17 -2.22 115.31 117.81 1xjm h LEU 23 Ca 0.25 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1xjm h LEU 23 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1xjm h LEU 23 CO -0.11 0.74 -0.06 -0.09 0.09 0.00 0.00 178.44 179.01 1xjm h ARG 24 N 0.62 0.70 -0.78 1.13 2.43 -0.91 0.27 114.38 117.83 1xjm h ARG 24 Ca 0.15 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1xjm h ARG 24 Cb 0.31 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1xjm h ARG 24 CO -0.00 0.84 0.34 -0.44 -1.51 0.00 0.00 179.97 179.19 1xjm h ASP 25 N 0.51 1.05 0.00 -3.80 3.32 -0.68 -3.41 116.42 113.41 1xjm h ASP 25 Ca 0.10 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1xjm h ASP 25 Cb 0.56 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1xjm h ASP 25 CO 0.03 0.92 0.00 -2.11 -1.72 0.00 0.00 179.24 176.36 1xjm n ARG 26 N -4.33 0.25 -0.10 3.56 0.00 -0.85 -4.97 116.66 110.23 1xjm n ARG 26 Ca 0.07 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.76 1xjm n ARG 26 Cb 0.16 -0.12 -0.08 0.00 -0.00 0.00 0.00 32.46 32.42 1xjm n ARG 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1xjm n TYR 27 N -0.04 0.00 -1.68 2.89 4.02 0.18 -4.88 117.16 117.64 1xjm n TYR 27 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.43 1xjm n TYR 27 Cb 0.04 -0.74 -0.04 0.00 -0.02 0.00 0.00 39.34 38.58 1xjm n TYR 27 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1xjm n PHE 28 N -3.32 2.40 -2.18 -0.72 3.72 0.69 -4.75 117.46 113.31 1xjm n PHE 28 Ca -0.36 0.07 -0.37 0.00 -0.05 0.00 0.00 57.45 56.74 1xjm n PHE 28 Cb 0.84 -2.63 0.00 0.00 -0.94 0.00 0.00 39.48 36.75 1xjm n PHE 28 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1xjm s MET 29 N 2.37 3.55 0.11 -1.08 1.75 -1.26 -4.87 119.30 119.87 1xjm s MET 29 Ca 0.84 1.81 0.05 0.00 -1.25 0.00 0.00 55.69 57.14 1xjm s MET 29 Cb -0.62 -2.29 -0.04 0.00 2.84 0.00 0.00 34.83 34.72 1xjm s MET 29 CO 0.42 -0.73 -0.12 0.15 -0.65 0.00 0.00 175.02 174.08 1xjm s LYS 30 N -2.86 0.93 0.81 4.11 1.02 -1.26 -0.92 119.74 121.56 1xjm s LYS 30 Ca 0.67 -1.17 -0.09 0.00 0.02 0.00 0.00 55.97 55.40 1xjm s LYS 30 Cb -0.29 -0.74 0.13 0.00 -0.52 0.00 0.00 37.83 36.40 1xjm s LYS 30 CO 0.35 0.14 1.13 0.16 -0.92 0.00 0.00 175.35 176.20 1xjm s ASP 31 N -2.36 4.08 0.55 2.83 1.47 -0.38 -4.85 116.67 118.01 1xjm s ASP 31 Ca 0.06 0.20 0.31 0.00 1.18 0.00 0.00 52.55 54.30 1xjm s ASP 31 Cb -0.05 -0.56 1.47 0.00 -0.34 0.00 0.00 42.92 43.45 1xjm s ASP 31 CO 0.02 -2.09 1.87 -0.07 0.68 0.00 0.00 175.17 175.58 1xjm h LEU 32 N -0.98 0.00 -0.04 2.11 4.07 -2.02 -0.21 115.31 118.24 1xjm h LEU 32 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1xjm h LEU 32 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1xjm h LEU 32 CO 0.48 0.00 -0.38 0.47 -1.08 0.00 0.00 178.44 177.93 1xjm n ASP 33 N -4.09 0.44 0.00 -0.43 8.00 -1.26 -4.94 116.55 114.27 1xjm n ASP 33 Ca 0.17 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xjm n ASP 33 Cb 0.93 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1xjm n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xjm n GLY 34 N 1.48 0.82 3.76 0.44 0.00 -0.09 -5.08 105.19 106.53 1xjm n GLY 34 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1xjm n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjm s ASN 35 N -2.23 7.47 0.03 1.61 0.01 -1.26 -4.84 114.94 115.72 1xjm s ASN 35 Ca 0.00 2.00 -0.30 0.00 -0.71 0.00 0.00 52.86 53.84 1xjm s ASN 35 Cb 0.00 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 38.98 1xjm s ASN 35 CO 0.00 0.02 1.55 -0.31 -1.51 0.00 0.00 177.10 176.85 1xjm s TYR 36 N -1.28 2.57 -0.60 2.20 2.02 -1.26 -1.25 117.35 119.74 1xjm s TYR 36 Ca 0.44 0.52 0.24 0.00 -0.37 0.00 0.00 57.07 57.90 1xjm s TYR 36 Cb -0.26 -3.83 0.40 0.00 -0.40 0.00 0.00 41.96 37.87 1xjm s TYR 36 CO 0.32 -3.27 1.40 -0.07 -1.57 0.00 0.00 175.55 172.36 1xjm h LEU 37 N 8.61 0.00 -7.76 -1.29 3.38 -1.36 -3.47 115.31 113.43 1xjm h LEU 37 Ca -0.40 -0.14 -0.35 0.00 0.09 0.00 0.00 57.88 57.08 1xjm h LEU 37 Cb 1.19 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.62 1xjm h LEU 37 CO 0.92 0.07 -0.76 -1.61 0.09 0.00 0.00 178.44 177.15 1xjm s GLU 38 N -3.18 0.49 0.00 1.13 2.02 -1.18 -4.94 118.70 113.04 1xjm s GLU 38 Ca 0.06 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.98 1xjm s GLU 38 Cb 0.12 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.81 1xjm s GLU 38 CO 0.70 -0.02 0.18 0.25 0.02 0.00 0.00 175.26 176.38 1xjm n THR 39 N 3.63 0.00 -3.82 3.63 -2.24 -1.26 -4.56 114.28 109.67 1xjm n THR 39 Ca -0.21 -0.40 -0.10 0.00 -2.27 0.00 0.00 64.05 61.08 1xjm n THR 39 Cb 0.54 1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.79 1xjm n THR 39 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1xjm s LYS 40 N -0.44 0.84 0.30 -0.78 -2.85 -1.26 -5.05 119.74 110.49 1xjm s LYS 40 Ca 0.00 -0.81 0.05 0.00 -1.00 0.00 0.00 55.97 54.21 1xjm s LYS 40 Cb 0.00 0.35 0.76 0.00 -2.06 0.00 0.00 37.83 36.88 1xjm s LYS 40 CO 0.00 -0.27 1.69 2.35 0.10 0.00 0.00 175.35 179.22 1xjm h TRP 41 N 2.90 0.68 -0.49 1.78 2.91 -2.00 0.20 115.95 121.92 1xjm h TRP 41 Ca -0.33 0.04 0.05 0.00 1.13 0.00 0.00 58.89 59.78 1xjm h TRP 41 Cb 1.20 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.67 1xjm h TRP 41 CO 0.43 -0.06 0.33 1.05 -1.03 0.00 0.00 178.44 179.16 1xjm h GLU 42 N 0.40 0.47 -0.48 2.65 4.11 -1.97 0.13 114.58 119.89 1xjm h GLU 42 Ca 0.58 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.98 1xjm h GLU 42 Cb 1.12 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1xjm h GLU 42 CO -0.54 0.31 0.29 -0.44 0.07 0.00 0.00 179.01 178.70 1xjm h ASP 43 N 0.48 0.57 0.01 3.06 3.32 -1.02 -0.83 116.42 122.01 1xjm h ASP 43 Ca 0.21 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xjm h ASP 43 Cb 0.22 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1xjm h ASP 43 CO -0.05 0.46 -0.00 0.58 -1.72 0.00 0.00 179.24 178.50 1xjm h VAL 44 N 0.64 1.01 -0.73 -1.35 2.07 -1.10 -1.81 116.25 114.96 1xjm h VAL 44 Ca 0.17 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1xjm h VAL 44 Cb -0.01 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1xjm h VAL 44 CO -0.03 0.01 0.45 0.00 0.02 0.00 0.00 177.57 178.02 1xjm h ALA 45 N 0.96 1.41 0.66 1.67 0.00 -0.93 0.23 119.26 123.26 1xjm h ALA 45 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xjm h ALA 45 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1xjm h ALA 45 CO 0.00 0.52 -0.40 -0.09 0.00 0.00 0.00 179.25 179.28 1xjm h ARG 46 N 1.01 -0.96 -0.31 0.00 9.65 -1.01 -1.72 114.38 121.04 1xjm h ARG 46 Ca 0.26 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 1xjm h ARG 46 Cb -0.05 0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1xjm h ARG 46 CO -0.05 -0.64 0.20 -0.09 2.80 0.00 0.00 179.97 182.19 1xjm h ARG 47 N -1.00 0.40 0.05 0.20 2.43 -0.93 -1.46 114.38 114.08 1xjm h ARG 47 Ca -0.08 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1xjm h ARG 47 Cb 0.80 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1xjm h ARG 47 CO 0.09 0.26 -0.03 0.28 -1.51 0.00 0.00 179.97 179.07 1xjm h VAL 48 N 0.41 1.18 -0.50 0.20 2.07 -1.01 -1.91 116.25 116.69 1xjm h VAL 48 Ca 0.11 -0.82 0.10 0.00 0.82 0.00 0.00 66.70 66.91 1xjm h VAL 48 Cb -0.04 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 1xjm h VAL 48 CO -0.03 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1xjm h ALA 49 N 0.48 0.47 0.14 1.67 0.00 -1.27 -0.79 119.26 119.96 1xjm h ALA 49 Ca -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xjm h ALA 49 Cb 0.39 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xjm h ALA 49 CO 0.01 -0.38 -0.07 -0.09 0.00 0.00 0.00 179.25 178.72 1xjm h ARG 50 N 0.12 -0.19 -0.88 0.00 2.43 -1.18 -0.58 114.38 114.10 1xjm h ARG 50 Ca 0.25 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 1xjm h ARG 50 Cb 0.38 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 1xjm h ARG 50 CO -0.41 -0.12 0.54 0.28 -1.51 0.00 0.00 179.97 178.75 1xjm h VAL 51 N -0.19 1.02 0.07 0.20 2.07 -1.08 -1.93 116.25 116.40 1xjm h VAL 51 Ca -0.02 -0.33 -0.24 0.00 0.82 0.00 0.00 66.70 66.93 1xjm h VAL 51 Cb 0.15 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1xjm h VAL 51 CO 0.02 0.18 -1.11 0.58 0.02 0.00 0.00 177.57 177.26 1xjm h VAL 52 N 0.97 1.56 -0.59 2.57 2.07 -0.96 -3.00 116.25 118.87 1xjm h VAL 52 Ca 0.39 -3.09 -0.00 0.00 0.82 0.00 0.00 66.70 64.82 1xjm h VAL 52 Cb 0.22 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 1xjm h VAL 52 CO -0.19 0.90 0.37 0.00 0.02 0.00 0.00 177.57 178.66 1xjm h ALA 53 N 0.76 1.54 -0.97 1.67 0.00 -0.99 -2.66 119.26 118.62 1xjm h ALA 53 Ca -0.08 -0.06 0.27 0.00 0.00 0.00 0.00 54.91 55.04 1xjm h ALA 53 Cb 1.84 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1xjm h ALA 53 CO 0.17 0.41 0.69 1.15 0.00 0.00 0.00 179.25 181.67 1xjm h THR 54 N 0.81 0.53 -0.04 0.00 2.02 -1.19 0.13 112.91 115.16 1xjm h THR 54 Ca 0.21 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.38 1xjm h THR 54 Cb -0.05 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1xjm h THR 54 CO -0.04 0.01 0.20 0.00 0.37 0.00 0.00 175.52 176.06 1xjm h ALA 55 N 1.53 1.32 0.00 6.16 0.00 -1.60 -0.80 119.26 125.87 1xjm h ALA 55 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1xjm h ALA 55 Cb 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1xjm h ALA 55 CO -0.05 -0.22 0.00 0.93 0.00 0.00 0.00 179.25 179.92 1xjm h GLU 56 N 0.00 0.00 -0.99 0.00 4.39 -0.95 -2.16 114.58 114.87 1xjm h GLU 56 Ca 0.02 0.00 0.35 0.00 0.34 0.00 0.00 59.36 60.07 1xjm h GLU 56 Cb 0.41 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.89 1xjm h GLU 56 CO -0.00 0.00 0.41 -0.07 -1.16 0.00 0.00 179.01 178.19 1xjm h LEU 57 N 0.00 0.15 -0.14 1.33 4.07 -1.34 -1.99 115.31 117.40 1xjm h LEU 57 Ca 0.00 0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1xjm h LEU 57 Cb 0.39 0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1xjm h LEU 57 CO 0.00 -0.34 -0.11 0.18 -1.08 0.00 0.00 178.44 177.09 1xjm n LEU 58 N -5.27 0.32 -4.61 1.67 4.77 -0.81 -4.86 117.00 108.20 1xjm n LEU 58 Ca 0.32 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 56.00 1xjm n LEU 58 Cb 1.07 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 1xjm n LEU 58 CO 0.01 0.06 1.46 0.21 -1.33 0.00 0.00 177.39 177.80 1xjm s ASN 59 N -2.61 6.12 0.14 -1.43 3.84 -0.75 -4.88 114.94 115.38 1xjm s ASN 59 Ca 0.25 1.45 0.22 0.00 0.21 0.00 0.00 52.86 54.99 1xjm s ASN 59 Cb 0.20 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 39.25 1xjm s ASN 59 CO 0.50 -1.50 1.69 -0.81 -2.79 0.00 0.00 177.10 174.19 1xjm n PRO 60 N 8.08 0.13 0.12 0.43 -0.04 -1.26 -2.67 135.00 139.79 1xjm n PRO 60 Ca 0.21 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 1xjm n PRO 60 Cb 0.46 -1.71 0.43 0.00 -0.04 0.00 0.00 33.50 32.65 1xjm n PRO 60 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xjm n SER 61 N -1.94 0.79 -4.77 3.54 7.64 -1.26 -4.72 113.62 112.91 1xjm n SER 61 Ca 0.04 0.61 -0.38 0.00 1.01 0.00 0.00 58.87 60.15 1xjm n SER 61 Cb 0.27 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 1xjm n SER 61 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xjm s TYR 62 N -3.18 3.59 0.86 1.43 4.12 -1.09 -5.08 117.35 118.00 1xjm s TYR 62 Ca 0.09 0.87 -0.11 0.00 0.02 0.00 0.00 57.07 57.94 1xjm s TYR 62 Cb 0.11 -2.41 0.11 0.00 -1.52 0.00 0.00 41.96 38.25 1xjm s TYR 62 CO 0.53 0.37 1.09 0.15 0.02 0.00 0.00 175.55 177.71 1xjm s LYS 63 N -0.06 1.53 0.29 -0.62 1.02 -1.26 -4.91 119.74 115.72 1xjm s LYS 63 Ca 0.23 0.89 0.03 0.00 0.02 0.00 0.00 55.97 57.14 1xjm s LYS 63 Cb -0.15 -1.83 0.45 0.00 -0.52 0.00 0.00 37.83 35.78 1xjm s LYS 63 CO 0.10 -2.07 1.75 0.87 -0.92 0.00 0.00 175.35 175.07 1xjm h LYS 64 N -1.43 0.45 -2.60 1.68 1.79 -1.98 -2.27 116.57 112.22 1xjm h LYS 64 Ca -0.48 -0.16 -0.53 0.00 -2.18 0.00 0.00 60.65 57.30 1xjm h LYS 64 Cb 1.27 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.86 1xjm h LYS 64 CO 0.54 0.66 2.24 0.27 -1.08 0.00 0.00 179.45 182.08 1xjm n ASN 65 N -4.14 7.54 0.00 0.86 6.94 -1.26 -2.69 115.26 122.50 1xjm n ASN 65 Ca -0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 1xjm n ASN 65 Cb 0.39 -1.47 0.00 0.00 -2.36 0.00 0.00 39.78 36.33 1xjm n ASN 65 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1xjm n GLU 66 N 2.84 0.00 -0.17 -3.83 2.13 -1.24 -5.03 120.64 115.34 1xjm n GLU 66 Ca 0.65 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.45 1xjm n GLU 66 Cb 0.45 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.22 1xjm n GLU 66 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xjm h LYS 67 N 0.00 0.09 0.00 5.31 1.57 -1.19 -1.96 116.57 120.39 1xjm h LYS 67 Ca 0.00 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1xjm h LYS 67 Cb 0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 1xjm h LYS 67 CO 0.00 0.06 -0.27 1.25 -0.57 0.00 0.00 179.45 179.91 1xjm h LEU 68 N 0.09 -0.82 -0.88 2.94 5.85 -1.89 0.60 115.31 121.21 1xjm h LEU 68 Ca 0.26 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1xjm h LEU 68 Cb 0.40 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1xjm h LEU 68 CO -0.46 -0.34 0.46 0.44 -0.34 0.00 0.00 178.44 178.20 1xjm h ASP 69 N -0.42 1.12 0.27 1.25 3.32 -1.86 -1.27 116.42 118.82 1xjm h ASP 69 Ca 0.06 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1xjm h ASP 69 Cb 0.50 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1xjm h ASP 69 CO -0.24 0.91 -0.18 0.03 -1.72 0.00 0.00 179.24 178.05 1xjm h ARG 70 N 1.24 -0.42 -0.71 3.56 2.47 -1.06 -2.01 114.38 117.44 1xjm h ARG 70 Ca 0.31 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 59.12 1xjm h ARG 70 Cb 0.06 0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.42 1xjm h ARG 70 CO -0.05 -0.28 0.41 0.82 0.56 0.00 0.00 179.97 181.43 1xjm h ILE 71 N -0.44 0.97 -0.02 2.04 2.04 -0.61 -1.82 117.51 119.68 1xjm h ILE 71 Ca -0.02 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 1xjm h ILE 71 Cb 0.37 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1xjm h ILE 71 CO 0.01 0.13 -0.24 0.11 0.00 0.00 0.00 178.15 178.17 1xjm h LYS 72 N 0.74 0.03 -0.12 2.37 1.57 -1.14 0.21 116.57 120.23 1xjm h LYS 72 Ca 0.32 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.97 1xjm h LYS 72 Cb 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xjm h LYS 72 CO -0.19 0.27 -0.40 0.93 -0.57 0.00 0.00 179.45 179.49 1xjm h GLU 73 N 0.03 0.49 -0.28 3.15 5.08 -0.59 -2.13 114.58 120.33 1xjm h GLU 73 Ca 0.00 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1xjm h GLU 73 Cb 0.44 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1xjm h GLU 73 CO 0.03 0.98 0.10 -1.49 -1.00 0.00 0.00 179.01 177.63 1xjm h TRP 74 N 0.09 0.44 -0.66 4.33 -0.00 -1.10 -1.15 115.95 117.90 1xjm h TRP 74 Ca -0.01 -0.04 0.11 0.00 -0.00 0.00 0.00 58.89 58.94 1xjm h TRP 74 Cb 1.03 -0.13 -0.08 0.00 -0.00 0.00 0.00 29.16 29.98 1xjm h TRP 74 CO 0.11 0.46 0.25 1.49 -0.00 0.00 0.00 178.44 180.76 1xjm h GLU 75 N 0.30 0.42 0.01 0.49 4.81 -0.56 -0.81 114.58 119.23 1xjm h GLU 75 Ca 0.09 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xjm h GLU 75 Cb 0.22 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1xjm h GLU 75 CO -0.00 0.28 -0.01 0.22 -0.73 0.00 0.00 179.01 178.77 1xjm h ASP 76 N 0.43 -0.01 -0.11 1.04 3.58 -1.26 0.32 116.42 120.40 1xjm h ASP 76 Ca 0.34 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1xjm h ASP 76 Cb 0.45 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1xjm h ASP 76 CO -0.33 0.25 0.05 -0.29 -2.88 0.00 0.00 179.24 176.04 1xjm h ILE 77 N -0.28 1.12 -0.61 2.25 6.09 -0.99 -0.35 117.51 124.75 1xjm h ILE 77 Ca -0.00 -0.35 0.13 0.00 -1.37 0.00 0.00 64.86 63.26 1xjm h ILE 77 Cb 0.27 1.15 -0.11 0.00 0.47 0.00 0.00 36.82 38.61 1xjm h ILE 77 CO 0.00 0.11 -0.06 -0.26 -3.07 0.00 0.00 178.15 174.87 1xjm h PHE 78 N 0.05 -0.16 -0.33 2.19 0.04 -1.14 -1.40 116.94 116.19 1xjm h PHE 78 Ca 0.04 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1xjm h PHE 78 Cb 0.13 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1xjm h PHE 78 CO -0.03 -0.21 0.22 0.35 -0.60 0.00 0.00 178.31 178.04 1xjm h PHE 79 N 0.06 0.41 0.02 -0.55 3.57 -0.11 -2.07 116.94 118.28 1xjm h PHE 79 Ca 0.31 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 1xjm h PHE 79 Cb 0.49 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1xjm h PHE 79 CO -0.42 0.26 -0.01 0.00 -2.23 0.00 0.00 178.31 175.91 1xjm h ARG 80 N 0.45 -0.02 -0.71 1.11 3.08 -0.63 0.09 114.38 117.74 1xjm h ARG 80 Ca 0.12 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1xjm h ARG 80 Cb -0.05 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1xjm h ARG 80 CO -0.03 0.16 0.47 -0.39 -1.07 0.00 0.00 179.97 179.12 1xjm h VAL 81 N -0.21 1.13 -0.15 2.04 -1.51 -1.25 -0.83 116.25 115.48 1xjm h VAL 81 Ca -0.00 -0.31 -0.18 0.00 -1.23 0.00 0.00 66.70 64.98 1xjm h VAL 81 Cb 0.20 0.15 0.01 0.00 -2.13 0.00 0.00 31.29 29.52 1xjm h VAL 81 CO 0.00 0.16 -0.60 -0.07 -1.23 0.00 0.00 177.57 175.84 1xjm h LEU 82 N 0.90 0.78 -0.54 4.19 3.38 -1.28 -1.34 115.31 121.39 1xjm h LEU 82 Ca 0.28 -0.62 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 1xjm h LEU 82 Cb -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1xjm h LEU 82 CO -0.07 1.27 -0.03 0.50 0.09 0.00 0.00 178.44 180.19 1xjm h LYS 83 N 0.34 0.98 0.00 1.13 3.64 -0.73 -1.74 116.57 120.19 1xjm h LYS 83 Ca -0.03 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1xjm h LYS 83 Cb 1.23 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1xjm h LYS 83 CO 0.13 1.00 0.00 0.00 -2.27 0.00 0.00 179.45 178.30 1xjm h ALA 84 N 0.95 1.00 -4.47 5.00 0.00 -1.12 -3.45 119.26 117.17 1xjm h ALA 84 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.79 1xjm h ALA 84 Cb 0.58 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.47 1xjm h ALA 84 CO 0.03 0.00 -0.50 0.54 0.00 0.00 0.00 179.25 179.33 1xjm n ARG 85 N -2.69 -5.35 -0.05 0.00 1.74 -0.62 -4.62 116.66 105.07 1xjm n ARG 85 Ca 0.00 0.59 -0.05 0.00 -0.77 0.00 0.00 57.85 57.62 1xjm n ARG 85 Cb 0.21 -4.89 -0.15 0.00 -1.02 0.00 0.00 32.46 26.62 1xjm n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xjm n LEU 86 N -3.54 0.28 -3.74 0.55 4.77 -0.60 -4.65 117.00 110.07 1xjm n LEU 86 Ca -0.06 0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 1xjm n LEU 86 Cb 0.57 0.30 -0.15 0.00 -2.33 0.00 0.00 43.42 41.81 1xjm n LEU 86 CO 0.45 0.35 -0.27 0.12 -1.33 0.00 0.00 177.39 176.71 1xjm s PHE 87 N -2.73 -0.09 -0.09 -1.77 5.36 -1.24 -1.46 117.98 115.96 1xjm s PHE 87 Ca -0.08 0.38 0.01 0.00 -0.96 0.00 0.00 56.93 56.28 1xjm s PHE 87 Cb 0.08 -0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1xjm s PHE 87 CO 0.84 -0.16 -0.11 0.42 -1.46 0.00 0.00 175.22 174.74 1xjm s ILE 88 N 1.36 1.20 0.90 3.12 1.01 -0.29 -4.25 121.20 124.25 1xjm s ILE 88 Ca -0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1xjm s ILE 88 Cb -0.12 -1.14 0.13 0.00 0.01 0.00 0.00 42.46 41.34 1xjm s ILE 88 CO -0.05 0.38 1.09 -2.16 0.00 0.00 0.00 174.94 174.21 1xjm s PRO 89 N 1.12 1.24 0.57 2.79 0.04 -1.26 -0.71 135.00 138.79 1xjm s PRO 89 Ca -0.05 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 61.58 1xjm s PRO 89 Cb -0.14 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1xjm s PRO 89 CO -0.02 -2.25 1.02 0.27 0.04 0.00 0.00 177.00 176.06 1xjm n ASN 90 N -3.88 1.09 -0.29 6.66 2.04 0.15 -4.79 115.26 116.23 1xjm n ASN 90 Ca 0.07 0.85 0.12 0.00 -0.44 0.00 0.00 54.58 55.19 1xjm n ASN 90 Cb 0.55 -1.41 0.29 0.00 -2.53 0.00 0.00 39.78 36.68 1xjm n ASN 90 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1xjm h SER 91 N 0.73 0.08 -0.46 0.53 0.02 -1.91 0.25 113.55 112.79 1xjm h SER 91 Ca -0.48 0.18 0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1xjm h SER 91 Cb 1.35 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 64.10 1xjm h SER 91 CO 0.52 -0.11 0.37 -0.65 -1.14 0.00 0.00 176.83 175.82 1xjm h PRO 92 N 0.25 0.00 -0.37 3.45 0.11 -1.88 0.43 132.00 133.99 1xjm h PRO 92 Ca 0.54 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.53 1xjm h PRO 92 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1xjm h PRO 92 CO -0.61 0.00 -0.25 1.15 -0.21 0.00 0.00 178.00 178.08 1xjm h THR 93 N 0.00 1.28 -0.40 -1.15 2.02 -0.91 -0.80 112.91 112.95 1xjm h THR 93 Ca 0.22 -1.40 -0.09 0.00 0.77 0.00 0.00 66.41 65.91 1xjm h THR 93 Cb 0.96 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1xjm h THR 93 CO -0.00 0.46 -0.10 -0.07 0.37 0.00 0.00 175.52 176.18 1xjm h LEU 94 N 0.61 0.78 -0.30 2.58 3.38 -1.21 -2.32 115.31 118.84 1xjm h LEU 94 Ca 0.07 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.55 1xjm h LEU 94 Cb 0.82 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1xjm h LEU 94 CO 0.07 0.97 -0.31 -0.26 0.09 0.00 0.00 178.44 179.00 1xjm h PHE 95 N 0.59 0.88 0.00 1.13 0.04 -0.90 -3.39 116.94 115.29 1xjm h PHE 95 Ca 0.10 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1xjm h PHE 95 Cb 0.62 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1xjm h PHE 95 CO 0.05 1.02 -0.55 0.09 -0.60 0.00 0.00 178.31 178.32 1xjm n ASN 96 N -4.24 0.59 -4.66 2.17 3.02 -0.31 -4.93 115.26 106.89 1xjm n ASN 96 Ca -0.04 -0.73 -0.42 0.00 -0.03 0.00 0.00 54.58 53.37 1xjm n ASN 96 Cb 0.48 1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 40.64 1xjm n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjm s ALA 97 N -2.05 3.59 0.00 5.41 0.00 -0.87 -2.41 121.76 125.43 1xjm s ALA 97 Ca 0.04 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1xjm s ALA 97 Cb 0.08 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1xjm s ALA 97 CO 0.45 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1xjm n GLY 98 N 4.54 0.80 3.71 0.00 0.00 -1.26 -4.84 105.19 108.14 1xjm n GLY 98 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1xjm n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjm s LEU 99 N 0.00 4.36 0.00 0.99 1.43 -1.01 -2.32 118.68 122.13 1xjm s LEU 99 Ca 0.00 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1xjm s LEU 99 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1xjm s LEU 99 CO 0.00 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1xjm n GLY 100 N 3.33 0.60 3.82 -3.19 0.00 -1.26 -1.49 105.19 106.99 1xjm n GLY 100 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1xjm n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjm s VAL 101 N -2.17 5.35 0.06 1.61 1.01 -0.98 -4.62 120.40 120.66 1xjm s VAL 101 Ca 0.00 0.15 -0.37 0.00 0.00 0.00 0.00 61.98 61.77 1xjm s VAL 101 Cb 0.00 -3.35 -0.16 0.00 0.00 0.00 0.00 36.38 32.87 1xjm s VAL 101 CO 0.00 0.57 1.41 0.29 0.00 0.00 0.00 175.10 177.37 1xjm n LYS 102 N 2.39 1.27 0.33 2.72 5.02 -1.26 -4.85 118.16 123.78 1xjm n LYS 102 Ca -0.19 0.46 0.22 0.00 -2.02 0.00 0.00 58.31 56.78 1xjm n LYS 102 Cb 0.54 -2.12 1.16 0.00 -0.02 0.00 0.00 35.03 34.58 1xjm n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xjm h HIS 103 N 5.01 0.00 0.00 2.13 3.86 -1.95 -1.31 115.15 122.89 1xjm h HIS 103 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1xjm h HIS 103 Cb 1.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.79 1xjm h HIS 103 CO 0.62 0.00 0.00 -0.40 0.86 0.00 0.00 177.93 179.01 1xjm n ASP 104 N -3.10 0.69 0.05 2.45 5.68 -1.26 -3.77 116.55 117.29 1xjm n ASP 104 Ca -0.03 0.59 0.11 0.00 -0.50 0.00 0.00 54.79 54.97 1xjm n ASP 104 Cb 0.10 -0.77 -0.00 0.00 -1.14 0.00 0.00 41.12 39.31 1xjm n ASP 104 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1xjm n LEU 105 N -2.17 0.61 0.02 -2.12 4.77 -0.49 -4.12 117.00 113.49 1xjm n LEU 105 Ca 0.05 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1xjm n LEU 105 Cb 0.36 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 1xjm n LEU 105 CO 0.27 -0.05 -0.28 -0.07 -1.33 0.00 0.00 177.39 175.93 1xjm h LEU 106 N 0.00 0.06 -2.84 2.23 3.38 -1.65 -3.35 115.31 113.14 1xjm h LEU 106 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1xjm h LEU 106 Cb 0.87 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1xjm h LEU 106 CO 0.00 1.07 0.00 0.79 0.09 0.00 0.00 178.44 180.39 1xjm n TRP 107 N -3.21 0.15 -1.97 1.13 8.01 -1.26 -3.88 117.44 116.41 1xjm n TRP 107 Ca -0.11 -0.47 -0.34 0.00 -1.31 0.00 0.00 57.50 55.27 1xjm n TRP 107 Cb 1.01 -0.04 0.03 0.00 -2.01 0.00 0.00 31.31 30.30 1xjm n TRP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1xjm s LYS 108 N -0.96 3.07 0.37 -0.99 -2.85 -1.26 -4.92 119.74 112.21 1xjm s LYS 108 Ca 0.08 1.43 -0.27 0.00 -1.00 0.00 0.00 55.97 56.21 1xjm s LYS 108 Cb 0.04 -1.98 -0.10 0.00 -2.06 0.00 0.00 37.83 33.73 1xjm s LYS 108 CO 0.06 -1.04 1.35 -2.14 0.10 0.00 0.00 175.35 173.67 1xjm s PRO 109 N -3.82 4.14 0.50 1.78 0.02 -1.26 -4.88 135.00 131.47 1xjm s PRO 109 Ca 0.68 2.29 0.18 0.00 0.02 0.00 0.00 61.00 64.17 1xjm s PRO 109 Cb -0.21 -2.92 1.24 0.00 0.02 0.00 0.00 34.50 32.63 1xjm s PRO 109 CO 0.36 -0.40 2.05 0.97 -0.33 0.00 0.00 177.00 179.65 1xjm h ILE 110 N 2.80 0.89 0.00 2.83 2.10 -1.98 -1.49 117.51 122.65 1xjm h ILE 110 Ca -0.50 -0.04 -0.04 0.00 1.08 0.00 0.00 64.86 65.36 1xjm h ILE 110 Cb 1.24 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1xjm h ILE 110 CO 0.64 0.02 -0.21 -2.24 -1.08 0.00 0.00 178.15 175.28 1xjm h ASP 111 N 0.13 0.00 0.23 2.19 3.04 -2.00 -2.64 116.42 117.37 1xjm h ASP 111 Ca 0.16 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.95 1xjm h ASP 111 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 1xjm h ASP 111 CO -0.02 0.21 -0.05 0.00 -2.04 0.00 0.00 179.24 177.33 1xjm n GLN 112 N -3.36 0.89 -2.49 4.15 6.02 -0.56 -4.91 117.38 117.12 1xjm n GLN 112 Ca 0.00 -0.26 -0.41 0.00 -0.01 0.00 0.00 57.00 56.32 1xjm n GLN 112 Cb 0.43 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.16 1xjm n GLN 112 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1xjm s MET 113 N -2.29 4.53 0.36 -1.09 -1.94 -1.00 -5.03 119.30 112.84 1xjm s MET 113 Ca 0.35 1.72 0.08 0.00 -1.71 0.00 0.00 55.69 56.13 1xjm s MET 113 Cb 0.21 -3.31 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 1xjm s MET 113 CO 0.42 -0.05 0.18 0.95 -0.01 0.00 0.00 175.02 176.51 1xjm s THR 114 N 0.30 2.94 0.48 2.05 -4.23 -1.26 -5.00 115.64 110.91 1xjm s THR 114 Ca 0.53 -1.64 0.20 0.00 -1.18 0.00 0.00 61.69 59.59 1xjm s THR 114 Cb -0.29 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 70.92 1xjm s THR 114 CO 0.32 -0.14 1.97 0.25 -0.54 0.00 0.00 174.62 176.49 1xjm h LEU 115 N 1.46 0.20 -0.23 4.79 5.85 -1.95 -2.38 115.31 123.04 1xjm h LEU 115 Ca -0.43 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.09 1xjm h LEU 115 Cb 1.25 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1xjm h LEU 115 CO 0.63 0.11 -0.91 -0.33 -0.34 0.00 0.00 178.44 177.60 1xjm h GLU 116 N 0.22 0.20 -0.42 1.25 4.39 -1.98 -1.90 114.58 116.33 1xjm h GLU 116 Ca 0.29 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1xjm h GLU 116 Cb 0.83 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1xjm h GLU 116 CO -0.05 0.98 0.28 -0.44 -1.16 0.00 0.00 179.01 178.61 1xjm h ASP 117 N 0.10 0.48 -0.36 1.42 3.32 -1.83 -0.54 116.42 119.01 1xjm h ASP 117 Ca -0.05 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1xjm h ASP 117 Cb 1.55 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 1xjm h ASP 117 CO 0.14 0.35 0.08 1.88 -1.72 0.00 0.00 179.24 179.97 1xjm h TYR 118 N 0.57 0.62 -0.30 4.55 0.99 -1.42 -1.95 116.97 120.01 1xjm h TYR 118 Ca 0.16 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1xjm h TYR 118 Cb -0.06 -0.17 -0.02 0.00 1.00 0.00 0.00 36.73 37.48 1xjm h TYR 118 CO -0.05 0.62 0.14 0.93 -0.00 0.00 0.00 178.16 179.80 1xjm h GLU 119 N 0.44 0.42 -0.23 4.88 5.08 -1.25 -0.94 114.58 122.97 1xjm h GLU 119 Ca 0.11 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1xjm h GLU 119 Cb 0.32 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xjm h GLU 119 CO 0.00 0.34 -0.46 1.49 -1.00 0.00 0.00 179.01 179.38 1xjm h GLU 120 N 0.42 0.72 0.04 2.33 4.81 -0.87 -1.66 114.58 120.37 1xjm h GLU 120 Ca 0.11 -0.47 0.02 0.00 -0.13 0.00 0.00 59.36 58.89 1xjm h GLU 120 Cb 0.06 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1xjm h GLU 120 CO -0.01 1.09 -0.18 0.82 -0.73 0.00 0.00 179.01 179.99 1xjm h ILE 121 N 0.44 0.58 -0.41 2.32 2.04 -1.03 -1.12 117.51 120.33 1xjm h ILE 121 Ca 0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.95 1xjm h ILE 121 Cb 1.06 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 1xjm h ILE 121 CO 0.10 0.00 -0.06 0.22 0.00 0.00 0.00 178.15 178.42 1xjm h TYR 122 N -0.32 -0.13 0.00 1.37 3.20 -1.14 -2.99 116.97 116.96 1xjm h TYR 122 Ca 0.04 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 1xjm h TYR 122 Cb 0.37 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1xjm h TYR 122 CO -0.21 -0.14 -0.39 0.00 -1.64 0.00 0.00 178.16 175.79 1xjm h ARG 123 N 0.05 0.00 -0.56 1.82 3.08 -1.03 -3.29 114.38 114.44 1xjm h ARG 123 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1xjm h ARG 123 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1xjm h ARG 123 CO -0.38 0.39 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 1xjm n SER 124 N -3.96 3.78 -4.62 7.04 3.41 -0.45 -4.92 113.62 113.91 1xjm n SER 124 Ca -0.02 -2.15 -0.46 0.00 -0.26 0.00 0.00 58.87 55.99 1xjm n SER 124 Cb 0.43 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1xjm n SER 124 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xjm n ARG 125 N 1.05 2.10 -1.81 4.33 1.74 -1.20 -3.64 116.66 119.23 1xjm n ARG 125 Ca 0.20 0.71 -0.22 0.00 -0.77 0.00 0.00 57.85 57.77 1xjm n ARG 125 Cb 0.63 -2.85 0.14 0.00 -1.02 0.00 0.00 32.46 29.35 1xjm n ARG 125 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xjm n ASN 126 N 8.67 0.51 0.00 0.55 0.23 -0.56 -4.91 115.26 119.76 1xjm n ASN 126 Ca 0.27 -1.62 0.11 0.00 -0.53 0.00 0.00 54.58 52.81 1xjm n ASN 126 Cb 0.35 -0.69 0.56 0.00 -2.08 0.00 0.00 39.78 37.91 1xjm n ASN 126 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xjm n HIS 127 N -3.10 0.00 0.32 -2.53 1.44 -1.26 -0.61 115.22 109.48 1xjm n HIS 127 Ca 0.13 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.93 1xjm n HIS 127 Cb 0.47 -0.24 0.15 0.00 0.12 0.00 0.00 29.99 30.49 1xjm n HIS 127 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xjm n LEU 128 N -1.24 2.91 -2.59 2.39 4.77 -1.26 -4.73 117.00 117.26 1xjm n LEU 128 Ca 0.11 -1.41 -0.23 0.00 -0.03 0.00 0.00 56.01 54.45 1xjm n LEU 128 Cb 0.16 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1xjm n LEU 128 CO 0.16 0.62 2.34 1.57 -1.33 0.00 0.00 177.39 180.75 1xjm n HIS 129 N 1.07 1.03 -3.53 -1.77 -0.00 0.22 -4.86 115.22 107.37 1xjm n HIS 129 Ca 0.14 -2.12 -0.38 0.00 0.46 0.00 0.00 57.72 55.81 1xjm n HIS 129 Cb 0.49 -1.93 -0.10 0.00 -0.12 0.00 0.00 29.99 28.32 1xjm n HIS 129 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1xjm s MET 130 N 1.62 3.97 0.00 1.57 0.00 -1.24 -1.32 119.30 123.91 1xjm s MET 130 Ca 0.65 -0.21 0.04 0.00 0.00 0.00 0.00 55.69 56.18 1xjm s MET 130 Cb 0.25 -3.66 0.09 0.00 0.00 0.00 0.00 34.83 31.51 1xjm s MET 130 CO -0.03 -0.21 0.91 1.28 0.00 0.00 0.00 175.02 176.98 1xjm n LEU 131 N 5.13 1.96 -4.49 4.11 4.77 -1.26 -4.63 117.00 122.58 1xjm n LEU 131 Ca -0.12 -1.58 -0.33 0.00 -0.03 0.00 0.00 56.01 53.94 1xjm n LEU 131 Cb 0.52 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1xjm n LEU 131 CO 0.34 0.47 -0.41 -0.44 -1.33 0.00 0.00 177.39 176.02 1xjm s SER 132 N -0.74 4.37 0.13 -1.43 0.01 -1.26 -3.25 113.70 111.54 1xjm s SER 132 Ca 0.08 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.24 1xjm s SER 132 Cb 0.04 -1.30 -0.15 0.00 0.21 0.00 0.00 66.02 64.83 1xjm s SER 132 CO 0.06 0.28 1.30 0.00 0.41 0.00 0.00 173.24 175.30 1xjm h ALA 133 N 5.86 0.40 -3.25 1.44 0.00 -1.89 -3.42 119.26 118.40 1xjm h ALA 133 Ca -0.40 -0.86 -0.68 0.00 0.00 0.00 0.00 54.91 52.98 1xjm h ALA 133 Cb 1.18 -0.13 -0.33 0.00 0.00 0.00 0.00 17.79 18.51 1xjm h ALA 133 CO 0.54 1.14 -0.86 0.00 0.00 0.00 0.00 179.25 180.07 1xjm s PHE 135 N 0.63 0.55 -0.02 0.00 0.40 -0.26 -0.96 117.98 118.32 1xjm s PHE 135 Ca -0.11 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 55.90 1xjm s PHE 135 Cb -0.16 -0.34 0.01 0.00 0.51 0.00 0.00 43.02 43.03 1xjm s PHE 135 CO 0.02 -0.06 -0.06 0.08 0.70 0.00 0.00 175.22 175.90 1xjm s VAL 136 N -0.87 0.59 0.08 -0.44 1.01 -0.91 -1.24 120.40 118.62 1xjm s VAL 136 Ca -0.05 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1xjm s VAL 136 Cb -0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1xjm s VAL 136 CO 0.00 0.20 -0.25 0.68 0.00 0.00 0.00 175.10 175.73 1xjm s VAL 137 N 0.31 2.08 0.62 2.92 -7.23 -1.11 0.06 120.40 118.05 1xjm s VAL 137 Ca -0.04 -1.52 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 1xjm s VAL 137 Cb -0.08 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1xjm s VAL 137 CO 0.00 0.20 1.13 -2.16 -0.31 0.00 0.00 175.10 173.96 1xjm s PRO 138 N -1.61 2.95 -0.48 4.82 0.04 -1.26 -4.46 135.00 134.99 1xjm s PRO 138 Ca 0.12 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.73 1xjm s PRO 138 Cb -0.10 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.62 1xjm s PRO 138 CO 0.04 -1.16 0.25 0.08 0.04 0.00 0.00 177.00 176.25 1xjm s VAL 139 N -2.04 2.02 0.81 -0.36 1.01 -1.26 -4.77 120.40 115.81 1xjm s VAL 139 Ca 0.71 -2.96 -0.12 0.00 0.00 0.00 0.00 61.98 59.61 1xjm s VAL 139 Cb -0.23 -2.41 0.08 0.00 0.00 0.00 0.00 36.38 33.82 1xjm s VAL 139 CO 0.36 -0.85 1.10 -0.83 0.00 0.00 0.00 175.10 174.88 1xjm s GLY 140 N 0.00 1.62 -1.03 4.51 0.00 -1.26 -4.47 107.32 106.69 1xjm s GLY 140 Ca 0.17 -0.21 -0.06 0.00 0.00 0.00 0.00 44.72 44.62 1xjm s GLY 140 CO -0.00 0.23 2.77 1.34 0.00 0.00 0.00 173.10 177.44 1xjm n ASP 141 N -3.50 7.52 -3.69 1.64 2.03 -1.26 -3.91 116.55 115.38 1xjm n ASP 141 Ca 0.07 -2.93 -0.14 0.00 0.52 0.00 0.00 54.79 52.31 1xjm n ASP 141 Cb 0.56 -1.39 -0.08 0.00 -0.72 0.00 0.00 41.12 39.50 1xjm n ASP 141 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xjm s SER 142 N 1.01 -0.31 0.26 1.67 1.04 -1.26 -4.95 113.70 111.16 1xjm s SER 142 Ca 0.61 0.21 -0.01 0.00 0.48 0.00 0.00 55.95 57.23 1xjm s SER 142 Cb 0.24 0.38 0.51 0.00 0.10 0.00 0.00 66.02 67.25 1xjm s SER 142 CO -0.10 -0.52 1.78 0.40 0.98 0.00 0.00 173.24 175.77 1xjm h ILE 143 N 3.51 0.78 -0.03 -1.02 1.08 -1.99 -0.24 117.51 119.60 1xjm h ILE 143 Ca -0.29 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1xjm h ILE 143 Cb 1.17 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 1xjm h ILE 143 CO 0.41 0.13 -0.22 -0.08 -0.69 0.00 0.00 178.15 177.69 1xjm h GLU 144 N 0.69 -0.32 -0.29 2.37 4.57 -1.96 -2.55 114.58 117.09 1xjm h GLU 144 Ca 0.45 0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.49 1xjm h GLU 144 Cb 0.58 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1xjm h GLU 144 CO -0.33 -0.22 -0.48 0.93 -1.18 0.00 0.00 179.01 177.74 1xjm h GLU 145 N -0.33 0.83 -0.91 1.92 5.08 -1.69 -1.87 114.58 117.61 1xjm h GLU 145 Ca 0.07 -0.51 0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1xjm h GLU 145 Cb 0.43 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1xjm h GLU 145 CO -0.22 1.14 0.56 0.82 -1.00 0.00 0.00 179.01 180.31 1xjm h ILE 146 N 0.60 1.00 0.00 3.13 2.04 -1.03 -2.05 117.51 121.19 1xjm h ILE 146 Ca 0.02 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1xjm h ILE 146 Cb 1.08 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1xjm h ILE 146 CO 0.11 0.18 -0.89 -0.26 0.00 0.00 0.00 178.15 177.28 1xjm h PHE 147 N 0.98 0.00 -0.48 1.37 0.04 -1.43 -1.25 116.94 116.16 1xjm h PHE 147 Ca 0.42 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.12 1xjm h PHE 147 Cb 0.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1xjm h PHE 147 CO -0.03 0.12 0.03 1.49 -0.60 0.00 0.00 178.31 179.33 1xjm h GLU 148 N 0.00 0.83 -0.42 1.51 4.57 -1.31 -2.20 114.58 117.56 1xjm h GLU 148 Ca -0.03 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.84 1xjm h GLU 148 Cb 1.12 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1xjm h GLU 148 CO 0.01 0.86 -0.01 0.00 -1.18 0.00 0.00 179.01 178.69 1xjm h ALA 149 N 0.94 0.57 -0.89 2.92 0.00 -1.29 0.20 119.26 121.71 1xjm h ALA 149 Ca 0.14 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xjm h ALA 149 Cb 0.46 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1xjm h ALA 149 CO 0.02 0.36 0.56 0.28 0.00 0.00 0.00 179.25 180.47 1xjm h VAL 150 N 0.58 1.06 0.37 0.00 2.07 -1.26 -0.18 116.25 118.90 1xjm h VAL 150 Ca 0.12 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1xjm h VAL 150 Cb 0.50 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1xjm h VAL 150 CO 0.02 0.19 -0.18 0.50 0.02 0.00 0.00 177.57 178.12 1xjm h LYS 151 N 1.03 -0.48 -0.99 1.57 3.64 -0.70 -2.41 116.57 118.23 1xjm h LYS 151 Ca 0.38 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.99 1xjm h LYS 151 Cb 0.15 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 31.97 1xjm h LYS 151 CO -0.17 -0.30 0.60 0.93 -2.27 0.00 0.00 179.45 178.24 1xjm h GLU 152 N -0.53 0.72 -0.43 1.90 5.08 -0.34 -0.37 114.58 120.61 1xjm h GLU 152 Ca -0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1xjm h GLU 152 Cb 0.40 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1xjm h GLU 152 CO 0.08 0.48 0.27 1.88 -1.00 0.00 0.00 179.01 180.72 1xjm h TYR 153 N 0.74 0.56 -0.24 4.33 -1.99 -0.83 0.60 116.97 120.15 1xjm h TYR 153 Ca 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.30 1xjm h TYR 153 Cb 0.90 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 1xjm h TYR 153 CO -0.01 0.38 0.11 0.00 -0.00 0.00 0.00 178.16 178.64 1xjm h ALA 154 N 1.13 0.31 -0.30 3.88 0.00 -0.74 0.12 119.26 123.67 1xjm h ALA 154 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xjm h ALA 154 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xjm h ALA 154 CO -0.03 -0.12 0.09 -0.07 0.00 0.00 0.00 179.25 179.12 1xjm h LEU 155 N 0.25 0.43 -0.42 0.00 3.38 -0.93 -1.12 115.31 116.90 1xjm h LEU 155 Ca 0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1xjm h LEU 155 Cb 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1xjm h LEU 155 CO -0.01 0.53 0.12 0.40 0.09 0.00 0.00 178.44 179.57 1xjm h ILE 156 N 0.32 1.22 -0.80 1.22 2.04 -0.86 -2.87 117.51 117.78 1xjm h ILE 156 Ca 0.09 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1xjm h ILE 156 Cb 0.25 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1xjm h ILE 156 CO -0.00 0.27 0.51 0.74 0.00 0.00 0.00 178.15 179.67 1xjm h THR 157 N 0.54 1.21 -0.24 -0.27 2.02 -0.93 -0.88 112.91 114.37 1xjm h THR 157 Ca 0.13 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.95 1xjm h THR 157 Cb 0.29 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 66.68 1xjm h THR 157 CO -0.00 0.21 -0.22 0.50 0.37 0.00 0.00 175.52 176.38 1xjm h LYS 158 N 1.09 -0.22 0.00 6.66 3.64 -0.99 -2.35 116.57 124.41 1xjm h LYS 158 Ca 0.29 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1xjm h LYS 158 Cb -0.09 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1xjm h LYS 158 CO -0.06 -0.14 0.00 1.33 -2.27 0.00 0.00 179.45 178.31 1xjm n VAL 159 N -5.36 0.03 0.00 2.00 0.24 -1.12 -4.89 118.33 109.23 1xjm n VAL 159 Ca -0.01 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1xjm n VAL 159 Cb 0.28 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 1xjm n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xjm n GLY 160 N 0.78 1.07 3.91 7.63 0.00 -0.88 -4.72 105.19 112.96 1xjm n GLY 160 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1xjm n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xjm s GLY 161 N -2.00 1.61 -0.11 -0.02 0.00 -0.36 -4.84 107.32 101.60 1xjm s GLY 161 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.12 1xjm s GLY 161 CO 0.00 -0.45 -0.04 -0.32 0.00 0.00 0.00 173.10 172.29 1xjm s GLY 162 N -3.73 1.74 0.03 0.20 0.00 0.07 -4.18 107.32 101.46 1xjm s GLY 162 Ca 0.45 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 44.40 1xjm s GLY 162 CO 0.37 -0.38 -0.21 0.54 0.00 0.00 0.00 173.10 173.42 1xjm s VAL 163 N -0.32 1.66 0.14 1.40 0.11 -1.26 -1.10 120.40 121.03 1xjm s VAL 163 Ca 0.05 -1.14 0.07 0.00 -2.93 0.00 0.00 61.98 58.03 1xjm s VAL 163 Cb -0.12 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1xjm s VAL 163 CO 0.02 0.25 -0.16 -0.83 -3.33 0.00 0.00 175.10 171.06 1xjm s GLY 164 N -1.05 1.24 0.01 6.54 0.00 -0.37 -2.08 107.32 111.61 1xjm s GLY 164 Ca 0.08 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 1xjm s GLY 164 CO 0.01 -1.46 0.06 -0.56 0.00 0.00 0.00 173.10 171.16 1xjm s SER 165 N -2.58 0.14 -0.17 1.64 0.01 -0.10 -2.77 113.70 109.87 1xjm s SER 165 Ca 0.13 -0.38 -0.18 0.00 1.31 0.00 0.00 55.95 56.83 1xjm s SER 165 Cb -0.05 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 1xjm s SER 165 CO 0.05 -0.36 0.48 0.21 0.41 0.00 0.00 173.24 174.03 1xjm s ASN 166 N -1.52 6.58 0.00 2.44 3.84 -1.26 -0.67 114.94 124.35 1xjm s ASN 166 Ca -0.14 0.69 0.24 0.00 0.21 0.00 0.00 52.86 53.86 1xjm s ASN 166 Cb -0.08 -2.28 0.39 0.00 -0.55 0.00 0.00 41.25 38.73 1xjm s ASN 166 CO -0.00 -0.10 1.37 0.49 -2.79 0.00 0.00 177.10 176.07 1xjm n PHE 167 N 4.34 0.19 0.29 0.43 3.01 0.36 -4.26 117.46 121.82 1xjm n PHE 167 Ca -0.06 -0.10 0.16 0.00 1.01 0.00 0.00 57.45 58.46 1xjm n PHE 167 Cb 0.51 0.00 0.88 0.00 -0.01 0.00 0.00 39.48 40.86 1xjm n PHE 167 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1xjm h SER 168 N 4.27 0.00 0.24 4.37 0.02 -1.89 -1.65 113.55 118.91 1xjm h SER 168 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xjm h SER 168 Cb 0.92 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1xjm h SER 168 CO 0.00 0.05 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.38 1xjm h GLU 169 N 0.00 0.00 -6.25 3.45 5.08 -1.79 -3.43 114.58 111.64 1xjm h GLU 169 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1xjm h GLU 169 Cb 0.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1xjm h GLU 169 CO 0.01 0.03 0.91 -0.51 -1.00 0.00 0.00 179.01 178.45 1xjm s LEU 170 N -6.76 4.01 0.53 1.33 1.43 -0.62 -4.30 118.68 114.30 1xjm s LEU 170 Ca -0.04 1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 1xjm s LEU 170 Cb 0.13 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 1xjm s LEU 170 CO 0.50 -0.90 1.28 -2.11 0.23 0.00 0.00 176.35 175.35 1xjm n ARG 171 N 6.91 1.60 -0.81 1.70 1.85 -1.26 -4.38 116.66 122.27 1xjm n ARG 171 Ca 0.14 0.59 -0.30 0.00 -1.00 0.00 0.00 57.85 57.27 1xjm n ARG 171 Cb 0.46 -2.47 0.17 0.00 -1.05 0.00 0.00 32.46 29.57 1xjm n ARG 171 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1xjm s PRO 172 N -2.73 0.82 0.25 2.89 0.04 -1.26 -4.18 135.00 130.83 1xjm s PRO 172 Ca 0.70 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.68 1xjm s PRO 172 Cb -0.44 -1.73 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 1xjm s PRO 172 CO 0.50 -2.67 1.51 1.17 0.04 0.00 0.00 177.00 177.55 1xjm n LYS 173 N -4.23 2.30 -0.28 4.56 4.81 -1.26 -2.10 118.16 121.95 1xjm n LYS 173 Ca 0.09 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1xjm n LYS 173 Cb 0.53 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1xjm n LYS 173 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xjm n GLY 174 N 2.41 1.17 3.72 3.14 0.00 0.99 -4.92 105.19 111.70 1xjm n GLY 174 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1xjm n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjm s SER 175 N -3.04 3.55 -0.08 1.61 0.01 -0.89 -4.47 113.70 110.39 1xjm s SER 175 Ca 0.00 1.57 -0.30 0.00 1.31 0.00 0.00 55.95 58.53 1xjm s SER 175 Cb 0.00 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1xjm s SER 175 CO 0.00 -2.60 1.12 0.12 0.41 0.00 0.00 173.24 172.29 1xjm s PHE 176 N -2.90 3.32 -0.23 2.43 2.19 -1.26 -0.15 117.98 121.38 1xjm s PHE 176 Ca 0.63 1.37 -0.06 0.00 0.33 0.00 0.00 56.93 59.20 1xjm s PHE 176 Cb -0.18 -3.33 -0.03 0.00 -1.31 0.00 0.00 43.02 38.17 1xjm s PHE 176 CO 0.57 -0.88 0.04 0.08 1.83 0.00 0.00 175.22 176.86 1xjm s VAL 177 N 2.14 4.13 0.12 3.12 1.01 -1.26 -4.85 120.40 124.81 1xjm s VAL 177 Ca 0.53 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 1xjm s VAL 177 Cb -0.22 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1xjm s VAL 177 CO 0.20 0.38 1.71 0.00 0.00 0.00 0.00 175.10 177.39 1xjm h ALA 178 N 7.91 0.10 -1.77 5.51 0.00 -1.96 -3.01 119.26 126.04 1xjm h ALA 178 Ca -0.38 0.07 0.53 0.00 0.00 0.00 0.00 54.91 55.12 1xjm h ALA 178 Cb 1.17 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1xjm h ALA 178 CO 0.60 -0.49 1.25 0.78 0.00 0.00 0.00 179.25 181.39 1xjm h GLY 179 N -0.02 0.25 -1.25 0.00 0.00 -1.96 -3.46 103.07 96.64 1xjm h GLY 179 Ca 0.08 -0.02 -0.37 0.00 0.00 0.00 0.00 47.33 47.03 1xjm h GLY 179 CO -0.18 -0.08 -0.35 2.41 0.00 0.00 0.00 176.54 178.34 1xjm n THR 180 N -4.11 0.00 0.53 4.70 -1.04 -1.14 -5.04 114.28 108.18 1xjm n THR 180 Ca 0.41 -1.80 0.11 0.00 -2.04 0.00 0.00 64.05 60.74 1xjm n THR 180 Cb 1.83 0.84 0.02 0.00 -1.82 0.00 0.00 70.33 71.20 1xjm n THR 180 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1xjm n HIS 181 N -0.52 0.30 -1.36 -1.42 -0.00 -1.26 -4.90 115.22 106.06 1xjm n HIS 181 Ca 0.03 0.09 -0.30 0.00 -0.00 0.00 0.00 57.72 57.55 1xjm n HIS 181 Cb 0.45 -0.47 0.12 0.00 -0.00 0.00 0.00 29.99 30.09 1xjm n HIS 181 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1xjm s GLY 182 N -3.71 1.61 0.34 -1.41 0.00 -1.26 -5.07 107.32 97.82 1xjm s GLY 182 Ca 0.03 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.67 1xjm s GLY 182 CO 0.80 0.31 0.12 0.54 0.00 0.00 0.00 173.10 174.88 1xjm s LYS 183 N -5.04 2.32 0.34 2.90 -0.14 -1.26 -4.19 119.74 114.66 1xjm s LYS 183 Ca 0.62 -1.60 -0.28 0.00 -1.36 0.00 0.00 55.97 53.36 1xjm s LYS 183 Cb -0.16 -2.12 -0.09 0.00 -1.68 0.00 0.00 37.83 33.77 1xjm s LYS 183 CO 0.56 0.10 1.21 0.00 -0.76 0.00 0.00 175.35 176.46 1xjm s ALA 184 N -2.45 3.37 0.06 5.17 0.00 0.79 -4.79 121.76 123.91 1xjm s ALA 184 Ca 0.37 1.08 0.21 0.00 0.00 0.00 0.00 51.96 53.63 1xjm s ALA 184 Cb -0.02 -3.41 0.69 0.00 0.00 0.00 0.00 23.12 20.39 1xjm s ALA 184 CO 0.22 -0.49 1.73 0.77 0.00 0.00 0.00 175.76 177.99 1xjm h SER 185 N 3.25 0.00 -4.77 0.00 0.02 -1.88 0.28 113.55 110.45 1xjm h SER 185 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1xjm h SER 185 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1xjm h SER 185 CO 0.65 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 1xjm n GLY 186 N 0.41 1.06 0.28 -3.77 0.00 -1.26 -4.32 105.19 97.60 1xjm n GLY 186 Ca 0.01 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.43 1xjm n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjm h PRO 187 N 0.00 0.14 -0.76 1.61 0.13 -1.76 -2.63 132.00 128.73 1xjm h PRO 187 Ca 0.00 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1xjm h PRO 187 Cb 0.00 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.07 1xjm h PRO 187 CO 0.00 0.09 0.26 0.28 -0.23 0.00 0.00 178.00 178.40 1xjm h VAL 188 N 0.15 1.26 -0.37 1.56 2.07 -1.95 -0.62 116.25 118.35 1xjm h VAL 188 Ca 0.44 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1xjm h VAL 188 Cb 0.79 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1xjm h VAL 188 CO -0.64 0.35 0.12 0.28 0.02 0.00 0.00 177.57 177.70 1xjm h SER 189 N 1.12 0.53 -0.89 0.57 0.02 -1.67 -2.84 113.55 110.39 1xjm h SER 189 Ca 0.25 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1xjm h SER 189 Cb 0.28 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 1xjm h SER 189 CO -0.01 0.58 0.59 -0.26 -1.14 0.00 0.00 176.83 176.59 1xjm h PHE 190 N 0.44 1.11 -0.45 3.45 0.04 -1.27 -2.38 116.94 117.88 1xjm h PHE 190 Ca 0.12 0.03 0.13 0.00 2.80 0.00 0.00 57.97 61.05 1xjm h PHE 190 Cb 0.24 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1xjm h PHE 190 CO 0.01 0.68 0.35 0.52 -0.60 0.00 0.00 178.31 179.26 1xjm h MET 191 N 1.18 0.00 -0.36 1.51 2.86 -0.87 0.07 114.93 119.33 1xjm h MET 191 Ca 0.34 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.91 1xjm h MET 191 Cb -0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1xjm h MET 191 CO -0.08 0.00 -0.07 0.45 1.06 0.00 0.00 176.91 178.27 1xjm h HIS 192 N 0.00 0.64 -0.55 -0.22 3.86 -1.35 -2.17 115.15 115.35 1xjm h HIS 192 Ca 0.21 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1xjm h HIS 192 Cb 0.90 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 1xjm h HIS 192 CO 0.00 0.65 0.22 0.28 0.86 0.00 0.00 177.93 179.95 1xjm h VAL 193 N 0.56 1.22 -0.93 2.45 2.07 -1.05 -0.65 116.25 119.92 1xjm h VAL 193 Ca 0.11 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1xjm h VAL 193 Cb 0.46 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1xjm h VAL 193 CO 0.02 0.26 0.62 -0.26 0.02 0.00 0.00 177.57 178.23 1xjm h PHE 194 N 0.75 1.17 -0.55 1.57 0.04 -1.38 -1.39 116.94 117.16 1xjm h PHE 194 Ca 0.18 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.88 1xjm h PHE 194 Cb 0.19 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 1xjm h PHE 194 CO 0.01 0.73 -0.05 -0.97 -0.60 0.00 0.00 178.31 177.42 1xjm h ASN 195 N 1.25 0.99 -0.48 2.17 -1.24 -1.10 -2.35 115.58 114.82 1xjm h ASN 195 Ca 0.34 -0.33 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1xjm h ASN 195 Cb -0.14 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.62 1xjm h ASN 195 CO -0.08 1.09 0.25 0.28 -1.29 0.00 0.00 177.43 177.68 1xjm h SER 196 N 0.88 0.62 0.18 1.15 0.02 -0.86 -1.23 113.55 114.30 1xjm h SER 196 Ca 0.15 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1xjm h SER 196 Cb 0.61 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 1xjm h SER 196 CO 0.04 0.55 -0.33 0.00 -1.14 0.00 0.00 176.83 175.94 1xjm h ALA 197 N 1.10 -0.61 -0.43 3.77 0.00 -1.15 -3.05 119.26 118.89 1xjm h ALA 197 Ca 0.17 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1xjm h ALA 197 Cb 0.08 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1xjm h ALA 197 CO -0.02 -0.90 -0.05 0.82 0.00 0.00 0.00 179.25 179.10 1xjm h ILE 198 N -0.60 1.24 0.00 0.00 1.08 -1.46 -2.12 117.51 115.65 1xjm h ILE 198 Ca 0.02 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1xjm h ILE 198 Cb 0.60 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1xjm h ILE 198 CO -0.16 0.36 0.09 -1.54 -0.69 0.00 0.00 178.15 176.21 1xjm n SER 199 N -4.20 0.24 -0.00 1.72 3.41 -0.47 0.45 113.62 114.77 1xjm n SER 199 Ca 0.02 0.56 0.05 0.00 -0.26 0.00 0.00 58.87 59.24 1xjm n SER 199 Cb 0.32 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 1xjm n SER 199 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xjm n VAL 200 N -1.80 0.00 -0.09 -3.33 0.31 -0.81 -4.51 118.33 108.11 1xjm n VAL 200 Ca -0.01 -0.24 -0.16 0.00 -0.01 0.00 0.00 64.34 63.92 1xjm n VAL 200 Cb 0.10 0.82 -0.13 0.00 -0.91 0.00 0.00 33.84 33.72 1xjm n VAL 200 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xjm n VAL 201 N -1.42 1.55 0.00 2.52 0.31 -0.40 -5.14 118.33 115.75 1xjm n VAL 201 Ca 0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1xjm n VAL 201 Cb 0.21 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1xjm n VAL 201 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1xjm n LYS 202 N -3.19 0.72 0.00 5.55 4.76 0.17 -4.94 118.16 121.23 1xjm n LYS 202 Ca -0.38 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 1xjm n LYS 202 Cb 1.04 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.23 1xjm n LYS 202 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xjm n ALA 210 N -3.00 0.00 -2.45 7.82 0.00 -1.02 -5.00 120.51 116.85 1xjm n ALA 210 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1xjm n ALA 210 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1xjm n ALA 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xjm s LEU 211 N 0.00 2.39 -0.13 0.00 1.43 0.15 -4.26 118.68 118.26 1xjm s LEU 211 Ca 0.00 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.26 1xjm s LEU 211 Cb 0.00 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1xjm s LEU 211 CO 0.00 0.07 -0.04 -0.32 0.23 0.00 0.00 176.35 176.29 1xjm s MET 212 N -2.48 3.43 -0.19 1.70 -2.45 -0.89 -0.05 119.30 118.37 1xjm s MET 212 Ca 0.16 -0.52 0.01 0.00 -1.25 0.00 0.00 55.69 54.09 1xjm s MET 212 Cb -0.08 -2.83 0.03 0.00 1.25 0.00 0.00 34.83 33.20 1xjm s MET 212 CO 0.07 0.37 -0.13 0.20 1.05 0.00 0.00 175.02 176.58 1xjm s GLY 213 N 0.02 1.28 -0.01 2.11 0.00 0.26 -0.92 107.32 110.06 1xjm s GLY 213 Ca 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1xjm s GLY 213 CO 0.03 0.57 -0.03 -0.42 0.00 0.00 0.00 173.10 173.24 1xjm s ILE 214 N 1.38 3.94 -0.03 0.90 1.01 0.16 -1.48 121.20 127.08 1xjm s ILE 214 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1xjm s ILE 214 Cb -0.15 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.63 1xjm s ILE 214 CO -0.10 0.42 0.00 -0.22 0.00 0.00 0.00 174.94 175.05 1xjm s LEU 215 N -1.38 1.22 0.46 2.97 2.96 -1.10 -0.48 118.68 123.32 1xjm s LEU 215 Ca 0.17 -0.02 -0.24 0.00 -0.22 0.00 0.00 54.13 53.83 1xjm s LEU 215 Cb -0.11 -0.20 -0.07 0.00 0.50 0.00 0.00 46.19 46.31 1xjm s LEU 215 CO 0.08 -0.09 1.24 0.20 -1.32 0.00 0.00 176.35 176.45 1xjm s ASN 216 N 0.94 6.07 0.57 3.68 0.01 -1.26 -1.50 114.94 123.45 1xjm s ASN 216 Ca -0.09 2.49 0.30 0.00 -0.71 0.00 0.00 52.86 54.84 1xjm s ASN 216 Cb -0.13 -2.62 1.46 0.00 0.41 0.00 0.00 41.25 40.37 1xjm s ASN 216 CO -0.02 -1.00 1.87 -0.29 -1.51 0.00 0.00 177.10 176.15 1xjm h ILE 217 N 2.00 0.43 -0.57 0.60 6.09 -1.41 -2.27 117.51 122.38 1xjm h ILE 217 Ca -0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 1xjm h ILE 217 Cb 1.26 0.56 0.00 0.00 0.47 0.00 0.00 36.82 39.11 1xjm h ILE 217 CO 0.60 0.00 0.00 -0.46 -3.07 0.00 0.00 178.15 175.22 1xjm n ASN 218 N -3.93 5.61 -4.75 2.19 0.23 -1.26 -4.89 115.26 108.46 1xjm n ASN 218 Ca 0.13 -2.91 -0.39 0.00 -0.53 0.00 0.00 54.58 50.88 1xjm n ASN 218 Cb 0.83 -0.67 -0.05 0.00 -2.08 0.00 0.00 39.78 37.81 1xjm n ASN 218 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1xjm s HIS 219 N -2.71 3.71 0.54 -2.53 2.46 -0.85 -1.47 115.29 114.44 1xjm s HIS 219 Ca 0.54 1.37 0.27 0.00 0.47 0.00 0.00 55.06 57.71 1xjm s HIS 219 Cb 0.41 -2.74 1.44 0.00 -0.13 0.00 0.00 32.58 31.55 1xjm s HIS 219 CO 0.16 0.29 1.96 -1.35 -2.47 0.00 0.00 174.74 173.34 1xjm h PRO 220 N 5.70 0.00 -0.25 2.88 0.11 -1.83 -1.22 132.00 137.39 1xjm h PRO 220 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xjm h PRO 220 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xjm h PRO 220 CO 0.71 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.25 1xjm n ASP 221 N -4.27 1.43 -0.20 -2.05 8.00 -1.26 -4.52 116.55 113.67 1xjm n ASP 221 Ca 0.11 -1.96 0.09 0.00 0.71 0.00 0.00 54.79 53.74 1xjm n ASP 221 Cb 0.69 -0.17 0.37 0.00 -0.02 0.00 0.00 41.12 41.99 1xjm n ASP 221 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xjm h ILE 222 N 1.59 0.95 -0.21 0.53 6.09 -1.52 -0.26 117.51 124.69 1xjm h ILE 222 Ca 0.00 -0.24 -0.16 0.00 -1.37 0.00 0.00 64.86 63.08 1xjm h ILE 222 Cb 0.36 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 37.83 1xjm h ILE 222 CO 0.00 0.13 -0.54 -0.33 -3.07 0.00 0.00 178.15 174.34 1xjm h GLU 223 N 0.71 0.62 -0.44 2.19 5.08 -1.84 0.70 114.58 121.60 1xjm h GLU 223 Ca 0.35 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1xjm h GLU 223 Cb 0.43 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1xjm h GLU 223 CO -0.13 1.00 0.05 1.49 -1.00 0.00 0.00 179.01 180.42 1xjm h GLU 224 N 0.48 0.73 -0.17 2.33 4.81 -1.55 -2.14 114.58 119.07 1xjm h GLU 224 Ca 0.01 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1xjm h GLU 224 Cb 1.10 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1xjm h GLU 224 CO 0.11 0.77 -0.04 0.35 -0.73 0.00 0.00 179.01 179.47 1xjm h PHE 225 N 0.59 -0.09 -0.85 0.92 3.57 -0.80 -0.58 116.94 119.70 1xjm h PHE 225 Ca 0.13 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.78 1xjm h PHE 225 Cb 0.41 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.13 1xjm h PHE 225 CO 0.03 -0.07 0.46 0.82 -2.23 0.00 0.00 178.31 177.31 1xjm h ILE 226 N -0.00 0.79 -0.00 1.41 2.04 -0.76 -1.58 117.51 119.40 1xjm h ILE 226 Ca 0.08 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1xjm h ILE 226 Cb 0.12 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1xjm h ILE 226 CO -0.17 0.13 -0.06 0.47 0.00 0.00 0.00 178.15 178.51 1xjm n ASP 227 N -4.82 0.22 -0.34 1.72 8.00 -0.82 -4.53 116.55 115.98 1xjm n ASP 227 Ca 0.16 -0.35 0.10 0.00 0.71 0.00 0.00 54.79 55.42 1xjm n ASP 227 Cb 0.39 -0.17 0.30 0.00 -0.02 0.00 0.00 41.12 41.61 1xjm n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xjm h ALA 228 N 3.51 1.64 -0.58 2.24 0.00 -0.06 -1.80 119.26 124.21 1xjm h ALA 228 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xjm h ALA 228 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xjm h ALA 228 CO 0.00 0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1xjm n LYS 229 N -4.66 2.63 0.00 0.00 4.76 -1.26 -4.74 118.16 114.89 1xjm n LYS 229 Ca 0.21 -2.49 0.00 0.00 -2.87 0.00 0.00 58.31 53.16 1xjm n LYS 229 Cb 0.47 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1xjm n LYS 229 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1xjm n LYS 230 N 1.54 0.59 -1.36 1.97 4.81 -0.68 -5.06 118.16 119.97 1xjm n LYS 230 Ca 0.22 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.53 1xjm n LYS 230 Cb 0.61 -1.08 -0.05 0.00 0.02 0.00 0.00 35.03 34.52 1xjm n LYS 230 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1xjm n VAL 237 N -0.31 0.00 -2.17 3.15 3.14 -1.26 -5.11 118.33 115.76 1xjm n VAL 237 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 1xjm n VAL 237 Cb 0.04 -1.40 0.02 0.00 -1.06 0.00 0.00 33.84 31.44 1xjm n VAL 237 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1xjm n LEU 238 N -1.41 5.48 0.15 6.55 7.99 -1.26 -4.81 117.00 129.68 1xjm n LEU 238 Ca -0.12 -4.96 0.06 0.00 -0.01 0.00 0.00 56.01 50.97 1xjm n LEU 238 Cb 0.44 -0.57 0.52 0.00 -0.11 0.00 0.00 43.42 43.70 1xjm n LEU 238 CO 0.19 2.06 1.06 -0.55 -1.51 0.00 0.00 177.39 178.64 1xjm h ASN 239 N 2.50 0.19 0.41 -1.43 7.08 -1.98 -2.32 115.58 120.02 1xjm h ASN 239 Ca 0.39 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.60 1xjm h ASN 239 Cb 0.93 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 37.12 1xjm h ASN 239 CO 0.99 0.18 -0.23 0.49 -2.08 0.00 0.00 177.43 176.78 1xjm n PHE 240 N -4.46 0.00 -3.40 4.14 3.01 -1.26 -4.87 117.46 110.61 1xjm n PHE 240 Ca -0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 1xjm n PHE 240 Cb 0.12 -0.21 -0.06 0.00 -0.01 0.00 0.00 39.48 39.32 1xjm n PHE 240 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1xjm s PHE 241 N -2.65 3.59 0.12 1.38 0.40 -0.88 -0.68 117.98 119.27 1xjm s PHE 241 Ca 0.22 0.91 -0.16 0.00 -0.60 0.00 0.00 56.93 57.30 1xjm s PHE 241 Cb 0.19 -2.44 -0.07 0.00 0.51 0.00 0.00 43.02 41.21 1xjm s PHE 241 CO 0.54 0.35 0.55 -0.80 0.70 0.00 0.00 175.22 176.57 1xjm s ASN 242 N -0.02 6.89 -0.07 1.36 0.01 0.93 -4.87 114.94 119.16 1xjm s ASN 242 Ca 0.24 1.13 0.03 0.00 -0.71 0.00 0.00 52.86 53.56 1xjm s ASN 242 Cb -0.16 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.20 1xjm s ASN 242 CO 0.11 0.16 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.92 1xjm s LEU 243 N -1.69 1.86 0.02 0.60 1.02 -1.26 -0.57 118.68 118.65 1xjm s LEU 243 Ca 0.35 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 54.13 1xjm s LEU 243 Cb -0.16 -1.07 -0.02 0.00 0.02 0.00 0.00 46.19 44.96 1xjm s LEU 243 CO 0.19 0.10 -0.10 -0.44 0.02 0.00 0.00 176.35 176.12 1xjm s SER 244 N 0.41 1.14 -0.04 2.29 0.01 -0.55 -0.87 113.70 116.10 1xjm s SER 244 Ca -0.14 -0.34 -0.26 0.00 1.31 0.00 0.00 55.95 56.52 1xjm s SER 244 Cb -0.16 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 1xjm s SER 244 CO 0.05 0.00 0.83 -0.69 0.41 0.00 0.00 173.24 173.85 1xjm s VAL 245 N -0.68 4.96 -0.02 3.43 1.01 0.51 -2.70 120.40 126.90 1xjm s VAL 245 Ca -0.01 1.73 -0.16 0.00 0.00 0.00 0.00 61.98 63.54 1xjm s VAL 245 Cb -0.06 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1xjm s VAL 245 CO 0.00 0.21 0.44 -0.83 0.00 0.00 0.00 175.10 174.92 1xjm s GLY 246 N 0.90 2.48 -0.56 4.51 0.00 -0.56 -0.30 107.32 113.79 1xjm s GLY 246 Ca 0.44 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.99 1xjm s GLY 246 CO 0.22 0.35 0.33 -1.36 0.00 0.00 0.00 173.10 172.64 1xjm s PHE 247 N -0.62 3.29 -0.21 1.90 0.08 -0.22 -1.00 117.98 121.19 1xjm s PHE 247 Ca 0.25 -2.99 0.28 0.00 0.12 0.00 0.00 56.93 54.60 1xjm s PHE 247 Cb -0.17 -2.98 0.93 0.00 -0.57 0.00 0.00 43.02 40.23 1xjm s PHE 247 CO 0.13 -0.79 1.81 -1.00 -0.10 0.00 0.00 175.22 175.27 1xjm h PRO 248 N 6.74 0.00 -7.46 0.24 0.13 -1.92 -0.94 132.00 128.79 1xjm h PRO 248 Ca -0.05 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.60 1xjm h PRO 248 Cb 0.92 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.13 1xjm h PRO 248 CO 0.69 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.84 1xjm s MET 249 N -3.43 2.57 0.39 0.86 0.23 -1.26 -3.36 119.30 115.31 1xjm s MET 249 Ca 0.04 0.26 -0.27 0.00 -1.03 0.00 0.00 55.69 54.70 1xjm s MET 249 Cb 0.08 -2.04 -0.09 0.00 -1.53 0.00 0.00 34.83 31.24 1xjm s MET 249 CO 0.58 -1.17 1.37 0.34 -2.03 0.00 0.00 175.02 174.11 1xjm s ASP 250 N -4.42 6.32 0.43 -1.18 -1.08 -1.26 -4.05 116.67 111.43 1xjm s ASP 250 Ca 0.59 2.81 0.10 0.00 -0.52 0.00 0.00 52.55 55.53 1xjm s ASP 250 Cb -0.11 -2.65 0.95 0.00 -1.46 0.00 0.00 42.92 39.65 1xjm s ASP 250 CO 0.50 -0.86 2.05 0.11 0.52 0.00 0.00 175.17 177.48 1xjm h LYS 251 N 2.82 0.31 -0.27 4.34 1.57 -1.93 -2.59 116.57 120.83 1xjm h LYS 251 Ca -0.50 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1xjm h LYS 251 Cb 1.24 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1xjm h LYS 251 CO 0.63 0.27 0.12 0.87 -0.57 0.00 0.00 179.45 180.76 1xjm h LYS 252 N 0.31 0.25 -0.62 3.15 1.57 -1.91 -1.12 116.57 118.20 1xjm h LYS 252 Ca 0.08 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1xjm h LYS 252 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1xjm h LYS 252 CO -0.01 0.16 0.36 0.93 -0.57 0.00 0.00 179.45 180.32 1xjm h GLU 253 N 0.25 0.85 -0.24 3.15 5.08 -1.85 -1.13 114.58 120.70 1xjm h GLU 253 Ca 0.11 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1xjm h GLU 253 Cb 0.05 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1xjm h GLU 253 CO -0.09 0.63 -0.36 0.82 -1.00 0.00 0.00 179.01 179.01 1xjm h ILE 254 N 0.84 1.31 -0.58 3.13 1.08 -1.44 -0.23 117.51 121.62 1xjm h ILE 254 Ca 0.22 -1.56 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 1xjm h ILE 254 Cb 0.01 1.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 1xjm h ILE 254 CO -0.04 0.49 0.32 0.25 -0.69 0.00 0.00 178.15 178.49 1xjm h LEU 255 N 0.40 0.72 -0.03 1.44 5.85 -1.19 -1.57 115.31 120.92 1xjm h LEU 255 Ca 0.02 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1xjm h LEU 255 Cb 0.95 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1xjm h LEU 255 CO 0.08 0.60 -0.27 0.50 -0.34 0.00 0.00 178.44 179.02 1xjm h LYS 256 N 0.78 -0.38 -0.87 1.25 3.64 -1.07 -1.30 116.57 118.62 1xjm h LYS 256 Ca 0.20 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.72 1xjm h LYS 256 Cb 0.04 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 1xjm h LYS 256 CO -0.03 -0.26 0.51 -0.07 -2.27 0.00 0.00 179.45 177.33 1xjm h LEU 257 N -0.40 0.72 -0.30 5.20 3.38 -1.03 -0.64 115.31 122.24 1xjm h LEU 257 Ca 0.07 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1xjm h LEU 257 Cb 0.50 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1xjm h LEU 257 CO -0.26 0.39 0.08 0.22 0.09 0.00 0.00 178.44 178.96 1xjm h TYR 258 N 0.82 0.50 -0.07 1.13 5.03 -0.96 0.29 116.97 123.71 1xjm h TYR 258 Ca 0.43 -0.06 -0.09 0.00 2.58 0.00 0.00 58.73 61.59 1xjm h TYR 258 Cb 0.43 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 1xjm h TYR 258 CO -0.05 0.53 -0.36 0.93 -1.32 0.00 0.00 178.16 177.89 1xjm h GLU 259 N 0.32 0.15 -0.27 1.82 5.08 -0.82 -1.76 114.58 119.10 1xjm h GLU 259 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1xjm h GLU 259 Cb 0.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xjm h GLU 259 CO 0.00 0.50 0.00 0.39 -1.00 0.00 0.00 179.01 178.90 1xjm n GLU 260 N -4.08 1.68 -4.21 2.33 1.02 -0.28 -4.92 120.64 112.18 1xjm n GLU 260 Ca -0.01 -1.05 -0.36 0.00 -0.02 0.00 0.00 57.16 55.72 1xjm n GLU 260 Cb 0.43 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.56 1xjm n GLU 260 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xjm n ASP 261 N 0.33 -3.29 -3.88 1.62 4.64 -0.66 -4.94 116.55 110.36 1xjm n ASP 261 Ca 0.11 -1.00 -0.30 0.00 -1.38 0.00 0.00 54.79 52.22 1xjm n ASP 261 Cb 0.26 -2.80 0.22 0.00 -1.04 0.00 0.00 41.12 37.76 1xjm n ASP 261 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1xjm s GLY 262 N -3.32 1.71 0.10 0.27 0.00 0.10 -4.90 107.32 101.28 1xjm s GLY 262 Ca 0.72 -1.17 0.09 0.00 0.00 0.00 0.00 44.72 44.37 1xjm s GLY 262 CO 0.92 -0.31 -0.22 -0.54 0.00 0.00 0.00 173.10 172.96 1xjm s GLU 263 N -5.73 1.71 -0.05 2.90 2.02 -1.26 -1.84 118.70 116.44 1xjm s GLU 263 Ca 0.74 -1.19 0.03 0.00 0.02 0.00 0.00 54.97 54.57 1xjm s GLU 263 Cb -0.05 -2.04 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 1xjm s GLU 263 CO 0.54 0.48 -0.15 -1.17 0.02 0.00 0.00 175.26 174.99 1xjm s LEU 264 N -1.88 2.71 -0.51 1.80 2.96 0.21 -4.83 118.68 119.13 1xjm s LEU 264 Ca 0.15 -0.22 -0.22 0.00 -0.22 0.00 0.00 54.13 53.63 1xjm s LEU 264 Cb -0.10 -1.55 0.04 0.00 0.50 0.00 0.00 46.19 45.08 1xjm s LEU 264 CO 0.07 0.33 0.79 -0.70 -1.32 0.00 0.00 176.35 175.51 1xjm s GLU 265 N -0.64 3.28 -0.29 1.98 2.56 -1.26 -1.34 118.70 122.99 1xjm s GLU 265 Ca 0.09 -0.43 -0.28 0.00 0.00 0.00 0.00 54.97 54.36 1xjm s GLU 265 Cb -0.11 -4.03 0.01 0.00 2.00 0.00 0.00 34.13 32.00 1xjm s GLU 265 CO 0.01 -1.28 1.00 -0.51 -0.56 0.00 0.00 175.26 173.91 1xjm s LEU 266 N 3.31 4.01 0.20 2.70 1.43 0.84 -4.85 118.68 126.33 1xjm s LEU 266 Ca 0.25 1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.27 1xjm s LEU 266 Cb -0.15 -3.43 0.01 0.00 0.03 0.00 0.00 46.19 42.65 1xjm s LEU 266 CO 0.18 -0.76 0.43 -0.94 0.23 0.00 0.00 176.35 175.49 1xjm s SER 267 N 1.52 -0.10 -0.05 2.29 1.04 -0.54 -1.50 113.70 116.35 1xjm s SER 267 Ca 0.42 -0.76 -0.04 0.00 0.48 0.00 0.00 55.95 56.05 1xjm s SER 267 Cb -0.13 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.54 1xjm s SER 267 CO 0.12 -1.03 0.14 -2.28 0.98 0.00 0.00 173.24 171.17 1xjm s HIS 268 N -3.95 -0.15 0.55 5.02 2.46 -1.26 -4.43 115.29 113.53 1xjm s HIS 268 Ca 0.16 0.39 0.25 0.00 0.47 0.00 0.00 55.06 56.34 1xjm s HIS 268 Cb 0.01 0.01 1.47 0.00 -0.13 0.00 0.00 32.58 33.94 1xjm s HIS 268 CO 0.02 -0.10 2.05 -1.00 -2.47 0.00 0.00 174.74 173.24 1xjm h PRO 269 N 6.35 0.00 -0.57 2.88 0.13 -1.97 -2.46 132.00 136.36 1xjm h PRO 269 Ca -0.31 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.46 1xjm h PRO 269 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 1xjm h PRO 269 CO 0.43 0.00 -0.11 0.54 -0.23 0.00 0.00 178.00 178.62 1xjm n ARG 270 N -4.16 2.42 -4.05 0.86 1.74 -1.26 -4.95 116.66 107.25 1xjm n ARG 270 Ca 0.05 -3.46 -0.08 0.00 -0.77 0.00 0.00 57.85 53.60 1xjm n ARG 270 Cb 0.44 -2.01 -0.10 0.00 -1.02 0.00 0.00 32.46 29.76 1xjm n ARG 270 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xjm s SER 271 N -2.68 0.42 0.00 0.55 0.15 -0.93 -4.72 113.70 106.48 1xjm s SER 271 Ca 0.50 -0.88 0.21 0.00 0.70 0.00 0.00 55.95 56.47 1xjm s SER 271 Cb 0.43 0.19 -0.18 0.00 -1.71 0.00 0.00 66.02 64.75 1xjm s SER 271 CO 0.01 -0.55 0.91 0.35 1.20 0.00 0.00 173.24 175.15 1xjm n THR 272 N 0.37 0.00 -1.82 6.45 -2.24 -1.26 -4.68 114.28 111.10 1xjm n THR 272 Ca -0.16 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 1xjm n THR 272 Cb 0.60 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1xjm n THR 272 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xjm s ILE 273 N -2.84 3.28 0.07 2.28 1.01 -1.26 -4.98 121.20 118.76 1xjm s ILE 273 Ca 0.10 0.30 0.08 0.00 0.00 0.00 0.00 60.65 61.12 1xjm s ILE 273 Cb 0.16 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1xjm s ILE 273 CO 0.79 -0.17 -0.21 -0.13 0.00 0.00 0.00 174.94 175.21 1xjm s ARG 274 N 5.58 1.29 -0.10 2.79 1.81 -1.26 -4.21 118.95 124.85 1xjm s ARG 274 Ca 0.87 -1.04 -0.28 0.00 -1.72 0.00 0.00 55.73 53.57 1xjm s ARG 274 Cb -0.30 -1.48 0.07 0.00 -0.45 0.00 0.00 34.95 32.79 1xjm s ARG 274 CO 0.34 0.36 0.65 0.21 -0.68 0.00 0.00 175.30 176.19 1xjm s LYS 275 N -1.47 0.96 -0.13 3.54 2.20 -0.56 -5.02 119.74 119.25 1xjm s LYS 275 Ca 0.07 0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 56.07 1xjm s LYS 275 Cb -0.09 0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1xjm s LYS 275 CO 0.03 -0.26 -0.03 0.15 -0.36 0.00 0.00 175.35 174.88 1xjm s LYS 276 N -0.79 3.38 0.09 4.03 1.02 -1.26 -0.11 119.74 126.10 1xjm s LYS 276 Ca -0.08 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 55.47 1xjm s LYS 276 Cb -0.02 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1xjm s LYS 276 CO 0.07 0.41 -0.14 0.14 -0.92 0.00 0.00 175.35 174.92 1xjm s VAL 277 N -0.11 1.17 -0.17 3.17 -7.23 -0.45 -4.95 120.40 111.83 1xjm s VAL 277 Ca 0.03 -1.43 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 1xjm s VAL 277 Cb -0.13 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.59 1xjm s VAL 277 CO 0.02 -0.29 1.22 -0.54 -0.31 0.00 0.00 175.10 175.21 1xjm s LYS 278 N -2.03 4.25 0.33 4.82 1.02 -1.26 0.64 119.74 127.50 1xjm s LYS 278 Ca 0.01 1.61 0.09 0.00 0.02 0.00 0.00 55.97 57.70 1xjm s LYS 278 Cb -0.08 -3.73 0.84 0.00 -0.52 0.00 0.00 37.83 34.34 1xjm s LYS 278 CO 0.02 -0.67 1.77 0.97 -0.92 0.00 0.00 175.35 176.52 1xjm h ILE 279 N 5.45 0.64 -0.39 2.17 6.09 -1.69 0.34 117.51 130.12 1xjm h ILE 279 Ca -0.26 -0.22 0.02 0.00 -1.37 0.00 0.00 64.86 63.02 1xjm h ILE 279 Cb 1.10 -0.07 -0.02 0.00 0.47 0.00 0.00 36.82 38.30 1xjm h ILE 279 CO 0.96 0.12 0.26 0.03 -3.07 0.00 0.00 178.15 176.46 1xjm h ARG 280 N 0.65 0.47 0.12 2.19 3.08 -1.89 0.24 114.38 119.24 1xjm h ARG 280 Ca 0.59 -0.03 -0.29 0.00 0.07 0.00 0.00 59.98 60.32 1xjm h ARG 280 Cb 1.07 -0.10 0.03 0.00 0.08 0.00 0.00 29.97 31.04 1xjm h ARG 280 CO -0.38 0.31 -1.23 0.93 -1.07 0.00 0.00 179.97 178.53 1xjm h GLU 281 N 0.48 0.57 0.05 0.04 3.07 -0.73 -2.07 114.58 116.00 1xjm h GLU 281 Ca 0.15 -0.78 0.01 0.00 -0.50 0.00 0.00 59.36 58.24 1xjm h GLU 281 Cb 0.02 0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1xjm h GLU 281 CO -0.03 1.35 -0.08 1.25 -1.40 0.00 0.00 179.01 180.09 1xjm h LEU 282 N 0.25 -0.22 -1.07 1.33 5.85 -0.95 -1.96 115.31 118.55 1xjm h LEU 282 Ca -0.18 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.66 1xjm h LEU 282 Cb 1.91 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.95 1xjm h LEU 282 CO 0.23 -0.12 0.62 -0.26 -0.34 0.00 0.00 178.44 178.57 1xjm h PHE 283 N -0.16 1.12 -0.08 1.25 0.04 -0.99 -0.76 116.94 117.35 1xjm h PHE 283 Ca 0.02 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 1xjm h PHE 283 Cb 0.17 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1xjm h PHE 283 CO -0.12 0.52 -0.36 -0.09 -0.60 0.00 0.00 178.31 177.65 1xjm h ARG 284 N 1.04 0.16 -0.02 1.51 2.43 -1.11 -0.24 114.38 118.14 1xjm h ARG 284 Ca 0.45 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.36 1xjm h ARG 284 Cb 0.34 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1xjm h ARG 284 CO -0.20 0.51 -0.72 -0.22 -1.51 0.00 0.00 179.97 177.82 1xjm h LYS 285 N 0.14 0.53 -0.32 0.20 3.64 -0.60 -0.74 116.57 119.41 1xjm h LYS 285 Ca 0.02 -0.54 0.05 0.00 -1.27 0.00 0.00 60.65 58.90 1xjm h LYS 285 Cb 0.71 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 1xjm h LYS 285 CO 0.05 1.17 0.06 0.82 -2.27 0.00 0.00 179.45 179.28 1xjm h ILE 286 N 0.10 0.84 -0.46 2.00 2.04 -0.94 -2.37 117.51 118.72 1xjm h ILE 286 Ca -0.08 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 1xjm h ILE 286 Cb 1.40 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1xjm h ILE 286 CO 0.14 0.03 -0.12 0.00 0.00 0.00 0.00 178.15 178.21 1xjm h ALA 287 N 1.24 0.92 -0.36 1.87 0.00 -0.98 -0.26 119.26 121.69 1xjm h ALA 287 Ca 0.15 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xjm h ALA 287 Cb 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xjm h ALA 287 CO -0.20 0.62 0.15 1.15 0.00 0.00 0.00 179.25 180.98 1xjm h THR 288 N 0.76 0.93 -0.19 0.00 2.02 -1.03 0.40 112.91 115.81 1xjm h THR 288 Ca 0.12 -0.11 -0.21 0.00 0.77 0.00 0.00 66.41 66.99 1xjm h THR 288 Cb 0.63 0.59 0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1xjm h THR 288 CO 0.04 0.06 -0.70 -1.13 0.37 0.00 0.00 175.52 174.16 1xjm h ASN 289 N 0.32 0.92 -0.78 4.18 -1.24 -1.06 -1.91 115.58 116.01 1xjm h ASN 289 Ca 0.16 -0.57 -0.05 0.00 0.71 0.00 0.00 56.30 56.56 1xjm h ASN 289 Cb 0.11 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 1xjm h ASN 289 CO -0.14 1.36 0.31 0.00 -1.29 0.00 0.00 177.43 177.68 1xjm h ALA 290 N 0.63 1.01 -0.54 1.57 0.00 -0.46 -0.26 119.26 121.22 1xjm h ALA 290 Ca -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1xjm h ALA 290 Cb 1.32 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1xjm h ALA 290 CO 0.15 0.64 0.34 2.35 0.00 0.00 0.00 179.25 182.72 1xjm h TRP 291 N 1.13 0.63 0.04 0.00 7.01 -0.07 0.46 115.95 125.16 1xjm h TRP 291 Ca 0.26 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.28 1xjm h TRP 291 Cb 0.22 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 1xjm h TRP 291 CO 0.02 0.38 -0.02 0.87 -2.79 0.00 0.00 178.44 176.90 1xjm h LYS 292 N 0.68 -0.05 0.00 2.65 1.57 -1.08 -3.43 116.57 116.90 1xjm h LYS 292 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1xjm h LYS 292 Cb -0.02 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xjm h LYS 292 CO -0.07 0.38 0.00 -1.13 -0.57 0.00 0.00 179.45 178.05 1xjm n SER 293 N -4.91 0.23 0.00 0.86 3.41 -0.13 -4.67 113.62 108.41 1xjm n SER 293 Ca -0.08 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 1xjm n SER 293 Cb 0.23 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1xjm n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xjm n GLY 294 N 0.23 1.24 3.35 5.00 0.00 0.15 -5.00 105.19 110.16 1xjm n GLY 294 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xjm n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjm s ASP 295 N -2.99 2.93 0.47 1.61 1.11 -1.26 -4.47 116.67 114.07 1xjm s ASP 295 Ca 0.00 -0.79 -0.08 0.00 0.18 0.00 0.00 52.55 51.86 1xjm s ASP 295 Cb 0.00 -0.19 -0.05 0.00 1.07 0.00 0.00 42.92 43.76 1xjm s ASP 295 CO 0.00 0.07 0.81 -2.16 1.18 0.00 0.00 175.17 175.07 1xjm s PRO 296 N -2.36 3.65 0.11 8.23 0.04 -1.26 -2.05 135.00 141.36 1xjm s PRO 296 Ca 0.14 0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.55 1xjm s PRO 296 Cb -0.08 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.14 1xjm s PRO 296 CO 0.07 -0.18 0.15 0.41 0.04 0.00 0.00 177.00 177.49 1xjm n GLY 297 N -1.91 -0.53 3.22 0.56 0.00 -0.05 -4.74 105.19 101.74 1xjm n GLY 297 Ca 0.02 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 1xjm n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjm s LEU 298 N 0.00 2.16 -0.35 0.99 1.43 -0.25 -0.37 118.68 122.29 1xjm s LEU 298 Ca 0.09 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1xjm s LEU 298 Cb -0.00 -1.44 0.08 0.00 0.03 0.00 0.00 46.19 44.85 1xjm s LEU 298 CO 0.06 0.13 0.10 0.00 0.23 0.00 0.00 176.35 176.87 1xjm s ALA 299 N 0.51 2.98 -1.34 4.21 0.00 0.59 -0.20 121.76 128.51 1xjm s ALA 299 Ca -0.14 -2.14 -0.16 0.00 0.00 0.00 0.00 51.96 49.52 1xjm s ALA 299 Cb -0.17 -2.17 0.07 0.00 0.00 0.00 0.00 23.12 20.85 1xjm s ALA 299 CO 0.05 -1.53 1.88 1.19 0.00 0.00 0.00 175.76 177.35 1xjm n PHE 300 N 4.60 4.29 -0.12 0.00 3.72 0.35 -1.06 117.46 129.24 1xjm n PHE 300 Ca -0.07 -2.91 -0.07 0.00 -0.05 0.00 0.00 57.45 54.35 1xjm n PHE 300 Cb 0.42 -2.57 0.02 0.00 -0.94 0.00 0.00 39.48 36.41 1xjm n PHE 300 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xjm h LEU 301 N 11.51 0.33 -0.46 4.37 3.38 -1.61 -2.16 115.31 130.68 1xjm h LEU 301 Ca 0.48 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.55 1xjm h LEU 301 Cb 0.79 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 1xjm h LEU 301 CO 1.59 0.24 0.01 1.23 0.09 0.00 0.00 178.44 181.59 1xjm h GLY 302 N 0.44 0.47 1.36 0.83 0.00 -1.20 0.12 103.07 105.08 1xjm h GLY 302 Ca 0.17 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.61 1xjm h GLY 302 CO -0.10 -0.12 0.28 -2.09 0.00 0.00 0.00 176.54 174.51 1xjm h GLU 303 N 0.12 0.27 -0.11 4.80 4.57 -1.72 0.21 114.58 122.72 1xjm h GLU 303 Ca 0.23 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.22 1xjm h GLU 303 Cb 0.34 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1xjm h GLU 303 CO -0.38 0.18 -0.61 0.52 -1.18 0.00 0.00 179.01 177.54 1xjm h MET 304 N 0.28 0.61 -0.08 1.92 2.86 -0.52 -3.21 114.93 116.78 1xjm h MET 304 Ca 0.18 -0.51 -0.10 0.00 -2.06 0.00 0.00 59.70 57.22 1xjm h MET 304 Cb 0.37 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1xjm h MET 304 CO -0.04 1.13 -0.39 -0.91 1.06 0.00 0.00 176.91 177.76 1xjm h ASN 305 N 0.25 0.19 -0.96 1.22 2.35 -0.64 -1.88 115.58 116.10 1xjm h ASN 305 Ca -0.05 -0.07 0.21 0.00 -0.55 0.00 0.00 56.30 55.84 1xjm h ASN 305 Cb 1.26 -0.05 -0.11 0.00 0.05 0.00 0.00 38.32 39.46 1xjm h ASN 305 CO 0.13 0.56 0.54 0.50 -1.65 0.00 0.00 177.43 177.51 1xjm h LYS 306 N 0.15 0.61 -0.66 0.81 3.64 -0.59 -2.27 116.57 118.26 1xjm h LYS 306 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xjm h LYS 306 Cb 0.76 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1xjm h LYS 306 CO 0.06 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 178.30 1xjm n TYR 307 N -4.87 0.89 -2.83 1.91 4.01 -0.96 -4.94 117.16 110.38 1xjm n TYR 307 Ca 0.23 -0.50 -0.43 0.00 -0.16 0.00 0.00 57.90 57.04 1xjm n TYR 307 Cb 0.62 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.60 1xjm n TYR 307 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1xjm s TYR 308 N -1.02 2.95 0.63 -0.72 5.04 -0.75 -4.66 117.35 118.81 1xjm s TYR 308 Ca 0.44 0.42 0.27 0.00 -2.44 0.00 0.00 57.07 55.76 1xjm s TYR 308 Cb 0.23 -3.91 1.38 0.00 0.35 0.00 0.00 41.96 40.01 1xjm s TYR 308 CO 0.30 -1.06 1.79 -1.35 -1.34 0.00 0.00 175.55 173.89 1xjm h PRO 309 N 8.99 0.00 -0.20 4.97 0.11 -1.87 -1.31 132.00 142.69 1xjm h PRO 309 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1xjm h PRO 309 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xjm h PRO 309 CO 1.02 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.09 1xjm n LEU 310 N -3.27 2.54 -4.79 2.35 4.77 -1.26 -0.47 117.00 116.86 1xjm n LEU 310 Ca 0.05 -1.49 -0.38 0.00 -0.03 0.00 0.00 56.01 54.16 1xjm n LEU 310 Cb 0.65 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1xjm n LEU 310 CO 0.20 0.57 0.49 -0.47 -1.33 0.00 0.00 177.39 176.84 1xjm s TYR 311 N -1.02 3.78 -2.15 -1.77 5.04 -0.50 -0.39 117.35 120.33 1xjm s TYR 311 Ca 0.20 1.57 0.19 0.00 -2.44 0.00 0.00 57.07 56.59 1xjm s TYR 311 Cb 0.12 -2.74 0.52 0.00 0.35 0.00 0.00 41.96 40.21 1xjm s TYR 311 CO 0.17 0.40 1.43 -0.35 -1.34 0.00 0.00 175.55 175.86 1xjm n PRO 312 N 1.11 2.22 0.01 4.97 -0.04 -1.26 -4.89 135.00 137.12 1xjm n PRO 312 Ca -0.03 -1.88 -0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1xjm n PRO 312 Cb 0.50 -1.44 0.30 0.00 -0.04 0.00 0.00 33.50 32.81 1xjm n PRO 312 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1xjm h HIS 313 N 3.30 0.53 -2.27 0.54 2.07 -1.87 -3.42 115.15 114.03 1xjm h HIS 313 Ca 0.00 -0.06 -0.59 0.00 -2.85 0.00 0.00 60.37 56.88 1xjm h HIS 313 Cb 0.74 -0.15 -0.14 0.00 2.57 0.00 0.00 27.41 30.43 1xjm h HIS 313 CO 0.29 0.54 -0.74 1.03 -3.07 0.00 0.00 177.93 175.98 1xjm s ARG 314 N -4.93 1.65 -0.08 5.12 0.52 0.47 -5.15 118.95 116.55 1xjm s ARG 314 Ca -0.07 -1.77 -0.07 0.00 -0.52 0.00 0.00 55.73 53.29 1xjm s ARG 314 Cb 0.15 -1.65 0.02 0.00 0.52 0.00 0.00 34.95 33.99 1xjm s ARG 314 CO 0.76 0.27 0.21 0.21 0.02 0.00 0.00 175.30 176.77 1xjm s LYS 315 N -3.55 0.24 -0.27 3.54 2.20 -1.26 -3.41 119.74 117.22 1xjm s LYS 315 Ca 0.29 0.30 -0.15 0.00 -0.36 0.00 0.00 55.97 56.05 1xjm s LYS 315 Cb -0.03 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.36 1xjm s LYS 315 CO 0.14 -0.03 0.38 0.42 -0.36 0.00 0.00 175.35 175.90 1xjm s ILE 316 N 0.16 5.16 -0.02 5.43 1.01 -1.26 -4.16 121.20 127.52 1xjm s ILE 316 Ca -0.00 0.56 0.05 0.00 0.00 0.00 0.00 60.65 61.25 1xjm s ILE 316 Cb -0.02 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.66 1xjm s ILE 316 CO -0.00 0.13 0.09 0.59 0.00 0.00 0.00 174.94 175.75 1xjm n ASN 317 N 5.36 3.82 -4.07 3.58 3.02 -1.22 -4.86 115.26 120.90 1xjm n ASN 317 Ca -0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1xjm n ASN 317 Cb 0.51 1.10 -0.08 0.00 -0.61 0.00 0.00 39.78 40.70 1xjm n ASN 317 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xjm s SER 318 N -2.81 0.06 0.50 6.41 0.15 -1.25 -4.39 113.70 112.38 1xjm s SER 318 Ca -0.02 -1.09 0.06 0.00 0.70 0.00 0.00 55.95 55.60 1xjm s SER 318 Cb 0.03 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1xjm s SER 318 CO 0.21 -0.93 0.37 0.42 1.20 0.00 0.00 173.24 174.50 1xjm s THR 319 N -4.05 1.94 0.89 6.45 -4.23 -1.26 -0.87 115.64 114.51 1xjm s THR 319 Ca 0.27 -1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.16 1xjm s THR 319 Cb 0.04 -2.43 0.13 0.00 1.34 0.00 0.00 72.50 71.57 1xjm s THR 319 CO 0.07 0.00 1.15 0.54 -0.54 0.00 0.00 174.62 175.84 1xjm s ASN 320 N -4.20 3.67 0.58 3.99 2.20 -1.11 -3.89 114.94 116.19 1xjm s ASN 320 Ca 0.38 0.91 0.29 0.00 -0.94 0.00 0.00 52.86 53.49 1xjm s ASN 320 Cb -0.02 -1.45 1.47 0.00 -2.00 0.00 0.00 41.25 39.25 1xjm s ASN 320 CO 0.23 -2.44 1.89 -0.65 -2.94 0.00 0.00 177.10 173.18 1xjm h PRO 321 N -1.42 0.00 -0.02 3.55 0.11 -1.82 -1.25 132.00 131.16 1xjm h PRO 321 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xjm h PRO 321 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1xjm h PRO 321 CO 0.62 0.00 -0.42 0.00 -0.21 0.00 0.00 178.00 177.99 1xjm n GLY 323 N 1.36 1.30 0.18 0.00 0.00 -0.47 -4.62 105.19 102.94 1xjm n GLY 323 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1xjm n GLY 323 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xjm h GLU 324 N 3.18 0.00 -5.08 1.61 9.09 -1.82 -3.40 114.58 118.15 1xjm h GLU 324 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 1xjm h GLU 324 Cb 0.00 0.00 -0.32 0.00 -1.65 0.00 0.00 28.75 26.78 1xjm h GLU 324 CO 0.00 0.06 -0.81 0.42 0.05 0.00 0.00 179.01 178.73 1xjm s ILE 325 N -3.21 2.59 -0.04 -1.06 -1.09 -1.26 0.75 121.20 117.88 1xjm s ILE 325 Ca 0.04 -0.77 -0.22 0.00 -2.23 0.00 0.00 60.65 57.47 1xjm s ILE 325 Cb 0.06 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 1xjm s ILE 325 CO 0.71 0.50 0.66 -0.83 -1.23 0.00 0.00 174.94 174.76 1xjm s GLY 326 N 1.19 2.62 0.02 6.18 0.00 -1.26 -2.74 107.32 113.33 1xjm s GLY 326 Ca 0.02 0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.89 1xjm s GLY 326 CO -0.06 1.03 -0.16 1.08 0.00 0.00 0.00 173.10 174.99 1xjm s LEU 327 N 0.45 2.11 0.73 0.66 1.43 -0.05 -4.99 118.68 119.02 1xjm s LEU 327 Ca 0.35 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1xjm s LEU 327 Cb -0.18 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.31 1xjm s LEU 327 CO 0.18 0.12 1.11 -0.94 0.23 0.00 0.00 176.35 177.05 1xjm s SER 328 N -0.83 5.18 -0.11 2.29 1.04 -1.26 -3.37 113.70 116.65 1xjm s SER 328 Ca 0.05 0.99 -0.38 0.00 0.48 0.00 0.00 55.95 57.09 1xjm s SER 328 Cb -0.07 -1.72 -0.15 0.00 0.10 0.00 0.00 66.02 64.18 1xjm s SER 328 CO 0.01 -1.48 1.64 0.47 0.98 0.00 0.00 173.24 174.86 1xjm n ASP 329 N -3.06 2.44 -0.00 7.02 10.43 -1.26 -1.38 116.55 130.72 1xjm n ASP 329 Ca 0.07 1.07 -0.00 0.00 2.57 0.00 0.00 54.79 58.50 1xjm n ASP 329 Cb 0.58 -1.22 -0.00 0.00 1.84 0.00 0.00 41.12 42.32 1xjm n ASP 329 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1xjm n TYR 330 N 4.64 0.00 -3.16 1.24 4.01 0.11 -4.96 117.16 119.04 1xjm n TYR 330 Ca 0.23 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.66 1xjm n TYR 330 Cb 0.19 -0.78 -0.04 0.00 -0.31 0.00 0.00 39.34 38.40 1xjm n TYR 330 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1xjm s GLU 331 N -0.78 3.77 0.18 -0.72 2.12 -0.48 -3.92 118.70 118.87 1xjm s GLU 331 Ca 0.00 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.66 1xjm s GLU 331 Cb 0.00 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 1xjm s GLU 331 CO 0.00 0.14 0.04 0.00 -0.54 0.00 0.00 175.26 174.90 1xjm s ALA 332 N -2.11 1.27 -0.17 6.30 0.00 -1.26 -2.13 121.76 123.66 1xjm s ALA 332 Ca 0.49 -1.61 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 1xjm s ALA 332 Cb -0.11 0.75 0.05 0.00 0.00 0.00 0.00 23.12 23.82 1xjm s ALA 332 CO 0.27 -0.40 0.43 0.00 0.00 0.00 0.00 175.76 176.06 1xjm s ASN 334 N 0.80 5.64 0.22 0.00 4.22 -1.26 -2.57 114.94 121.99 1xjm s ASN 334 Ca -0.05 0.17 0.11 0.00 -2.14 0.00 0.00 52.86 50.96 1xjm s ASN 334 Cb -0.05 -1.63 -0.05 0.00 1.28 0.00 0.00 41.25 40.80 1xjm s ASN 334 CO -0.06 0.30 -0.22 -0.76 -2.04 0.00 0.00 177.10 174.32 1xjm s LEU 335 N -1.52 2.49 -0.04 3.54 1.43 -1.26 -1.83 118.68 121.48 1xjm s LEU 335 Ca 0.20 -0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 52.10 1xjm s LEU 335 Cb -0.12 -1.13 0.06 0.00 0.03 0.00 0.00 46.19 45.04 1xjm s LEU 335 CO 0.11 0.08 0.61 -0.83 0.23 0.00 0.00 176.35 176.56 1xjm s GLY 336 N -2.96 -0.50 -0.02 -3.19 0.00 -0.91 0.32 107.32 100.05 1xjm s GLY 336 Ca 0.24 1.14 0.04 0.00 0.00 0.00 0.00 44.72 46.14 1xjm s GLY 336 CO 0.11 0.81 -0.13 -0.56 0.00 0.00 0.00 173.10 173.33 1xjm s SER 337 N -1.21 1.62 -0.11 1.64 0.01 0.11 -0.68 113.70 115.08 1xjm s SER 337 Ca -0.11 -0.25 -0.13 0.00 1.31 0.00 0.00 55.95 56.76 1xjm s SER 337 Cb -0.01 -0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 1xjm s SER 337 CO 0.09 0.15 0.30 -0.63 0.41 0.00 0.00 173.24 173.55 1xjm s ILE 338 N -0.16 5.27 -0.62 1.44 1.01 -0.44 -1.14 121.20 126.55 1xjm s ILE 338 Ca 0.02 0.57 -0.24 0.00 0.00 0.00 0.00 60.65 61.00 1xjm s ILE 338 Cb -0.07 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.84 1xjm s ILE 338 CO 0.00 0.47 1.01 -0.62 0.00 0.00 0.00 174.94 175.80 1xjm s ASP 339 N -0.16 6.25 0.44 3.58 2.15 -0.53 -0.65 116.67 127.75 1xjm s ASP 339 Ca 0.18 -0.61 0.24 0.00 0.43 0.00 0.00 52.55 52.79 1xjm s ASP 339 Cb -0.14 -2.45 0.61 0.00 -0.30 0.00 0.00 42.92 40.64 1xjm s ASP 339 CO 0.06 -1.41 1.70 -0.37 -0.17 0.00 0.00 175.17 174.98 1xjm h VAL 340 N 6.01 0.23 -0.24 1.11 -1.51 -1.40 -3.08 116.25 117.36 1xjm h VAL 340 Ca -0.27 -1.11 0.07 0.00 -1.23 0.00 0.00 66.70 64.15 1xjm h VAL 340 Cb 1.07 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 32.15 1xjm h VAL 340 CO 1.16 0.12 0.17 0.00 -1.23 0.00 0.00 177.57 177.78 1xjm h ALA 341 N 1.88 2.22 0.00 5.19 0.00 -1.75 -1.55 119.26 125.26 1xjm h ALA 341 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xjm h ALA 341 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xjm h ALA 341 CO 0.02 -0.29 0.00 1.63 0.00 0.00 0.00 179.25 180.61 1xjm n LYS 342 N -4.47 0.04 -0.31 0.00 5.02 -1.16 -3.25 118.16 114.02 1xjm n LYS 342 Ca 0.03 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.57 1xjm n LYS 342 Cb 0.32 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.12 1xjm n LYS 342 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xjm n PHE 343 N -1.47 0.82 -2.44 2.13 3.01 -0.58 -4.92 117.46 114.00 1xjm n PHE 343 Ca 0.06 -0.41 -0.42 0.00 1.01 0.00 0.00 57.45 57.68 1xjm n PHE 343 Cb 0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 1xjm n PHE 343 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1xjm s TYR 344 N -1.18 3.09 -0.10 1.38 5.04 -1.20 -0.59 117.35 123.78 1xjm s TYR 344 Ca 0.45 1.14 -0.03 0.00 -2.44 0.00 0.00 57.07 56.19 1xjm s TYR 344 Cb 0.24 -3.45 0.04 0.00 0.35 0.00 0.00 41.96 39.14 1xjm s TYR 344 CO 0.32 -1.47 0.05 1.21 -1.34 0.00 0.00 175.55 174.32 1xjm s ASN 345 N 1.62 1.81 -1.58 4.32 3.04 0.24 -4.92 114.94 119.47 1xjm s ASN 345 Ca 0.56 -0.27 -0.06 0.00 0.04 0.00 0.00 52.86 53.13 1xjm s ASN 345 Cb -0.24 -0.29 0.06 0.00 -1.54 0.00 0.00 41.25 39.24 1xjm s ASN 345 CO 0.20 -0.28 0.35 0.59 -3.04 0.00 0.00 177.10 174.93 1xjm n ASN 346 N 5.23 -0.54 0.00 -4.21 3.02 -1.26 -0.87 115.26 116.64 1xjm n ASN 346 Ca -0.06 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 1xjm n ASN 346 Cb 0.49 -2.25 0.00 0.00 -0.61 0.00 0.00 39.78 37.41 1xjm n ASN 346 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xjm n GLY 347 N -1.99 0.73 3.05 7.41 0.00 -1.26 -5.05 105.19 108.08 1xjm n GLY 347 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1xjm n GLY 347 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xjm s PHE 348 N -2.65 0.46 -0.22 1.61 0.40 -0.04 -4.98 117.98 112.55 1xjm s PHE 348 Ca 0.00 -0.80 -0.23 0.00 -0.60 0.00 0.00 56.93 55.30 1xjm s PHE 348 Cb 0.00 -0.32 -0.01 0.00 0.51 0.00 0.00 43.02 43.19 1xjm s PHE 348 CO 0.00 -0.26 0.75 0.54 0.70 0.00 0.00 175.22 176.95 1xjm s VAL 349 N -2.72 4.91 -0.83 -0.44 0.11 -1.26 0.81 120.40 120.97 1xjm s VAL 349 Ca -0.03 1.42 -0.25 0.00 -2.93 0.00 0.00 61.98 60.18 1xjm s VAL 349 Cb -0.01 -4.05 -0.10 0.00 -1.53 0.00 0.00 36.38 30.70 1xjm s VAL 349 CO -0.05 -0.00 2.20 -0.62 -3.33 0.00 0.00 175.10 173.29 1xjm s ASP 350 N 1.31 4.47 0.36 3.54 -1.08 0.25 -4.79 116.67 120.73 1xjm s ASP 350 Ca 0.32 -0.25 0.27 0.00 -0.52 0.00 0.00 52.55 52.37 1xjm s ASP 350 Cb -0.16 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.66 1xjm s ASP 350 CO 0.09 -3.35 1.78 -0.07 0.52 0.00 0.00 175.17 174.14 1xjm h LEU 351 N 20.37 0.00 0.02 -1.34 3.38 -1.94 -2.44 115.31 133.36 1xjm h LEU 351 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xjm h LEU 351 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1xjm h LEU 351 CO 1.10 0.00 -0.01 -0.08 0.09 0.00 0.00 178.44 179.54 1xjm h GLU 352 N 0.00 -0.02 -0.79 1.13 4.81 -1.86 -1.65 114.58 116.20 1xjm h GLU 352 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1xjm h GLU 352 Cb 0.63 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1xjm h GLU 352 CO 0.00 0.71 0.31 0.00 -0.73 0.00 0.00 179.01 179.30 1xjm h ALA 353 N 0.10 1.06 -0.11 2.92 0.00 -1.50 -3.09 119.26 118.62 1xjm h ALA 353 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1xjm h ALA 353 Cb 0.75 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xjm h ALA 353 CO 0.00 0.66 -0.03 1.25 0.00 0.00 0.00 179.25 181.14 1xjm h LEU 354 N 1.15 -0.10 -1.22 0.00 5.85 -1.45 -0.84 115.31 118.69 1xjm h LEU 354 Ca 0.26 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.06 1xjm h LEU 354 Cb 0.22 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1xjm h LEU 354 CO -0.02 -0.04 0.54 -0.61 -0.34 0.00 0.00 178.44 177.98 1xjm h GLN 355 N 0.00 0.95 -0.49 1.25 4.15 -1.30 0.07 115.11 119.75 1xjm h GLN 355 Ca 0.05 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1xjm h GLN 355 Cb 0.08 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1xjm h GLN 355 CO -0.12 0.63 0.22 0.93 -1.93 0.00 0.00 178.83 178.56 1xjm h GLU 356 N 0.98 0.71 -0.14 1.69 5.08 -1.37 -2.47 114.58 119.07 1xjm h GLU 356 Ca 0.34 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1xjm h GLU 356 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1xjm h GLU 356 CO -0.11 0.62 -0.36 1.25 -1.00 0.00 0.00 179.01 179.40 1xjm h LEU 357 N 0.64 0.29 -0.76 1.33 5.85 -0.04 -1.81 115.31 120.82 1xjm h LEU 357 Ca 0.17 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1xjm h LEU 357 Cb 0.15 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1xjm h LEU 357 CO -0.02 0.64 0.22 0.58 -0.34 0.00 0.00 178.44 179.53 1xjm h VAL 358 N 0.24 1.26 -0.28 1.05 2.07 -0.92 0.40 116.25 120.07 1xjm h VAL 358 Ca 0.03 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1xjm h VAL 358 Cb 0.76 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1xjm h VAL 358 CO 0.06 0.36 0.18 1.56 0.02 0.00 0.00 177.57 179.75 1xjm h GLN 359 N 1.11 0.35 -0.27 1.57 4.20 -1.08 -1.75 115.11 119.23 1xjm h GLN 359 Ca 0.24 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.78 1xjm h GLN 359 Cb 0.32 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1xjm h GLN 359 CO -0.01 0.23 -0.42 0.82 -0.67 0.00 0.00 178.83 178.79 1xjm h ILE 360 N 0.36 1.29 -0.43 2.54 2.04 -0.83 -3.06 117.51 119.43 1xjm h ILE 360 Ca 0.11 -1.60 -0.09 0.00 1.00 0.00 0.00 64.86 64.28 1xjm h ILE 360 Cb -0.03 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1xjm h ILE 360 CO -0.04 0.51 -0.08 0.00 0.00 0.00 0.00 178.15 178.54 1xjm h ALA 361 N 0.99 0.58 -0.70 1.87 0.00 0.02 -0.51 119.26 121.52 1xjm h ALA 361 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1xjm h ALA 361 Cb 0.95 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1xjm h ALA 361 CO 0.09 0.45 0.31 0.28 0.00 0.00 0.00 179.25 180.38 1xjm h VAL 362 N 0.64 1.24 -0.26 0.00 2.07 -1.37 0.25 116.25 118.82 1xjm h VAL 362 Ca 0.11 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1xjm h VAL 362 Cb 0.61 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1xjm h VAL 362 CO 0.04 0.28 0.03 -0.09 0.02 0.00 0.00 177.57 177.86 1xjm h ARG 363 N 0.98 0.43 0.04 1.57 2.43 -1.40 0.11 114.38 118.54 1xjm h ARG 363 Ca 0.24 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1xjm h ARG 363 Cb 0.15 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1xjm h ARG 363 CO -0.03 0.56 -0.27 0.35 -1.51 0.00 0.00 179.97 179.07 1xjm h PHE 364 N 0.24 -0.73 -0.86 2.20 3.04 -0.82 0.12 116.94 120.12 1xjm h PHE 364 Ca 0.08 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 1xjm h PHE 364 Cb 0.35 0.32 -0.04 0.00 2.56 0.00 0.00 35.95 39.13 1xjm h PHE 364 CO 0.02 -0.37 0.46 -0.07 -2.02 0.00 0.00 178.31 176.33 1xjm h LEU 365 N -0.44 1.08 -0.88 0.59 3.38 -0.74 -1.31 115.31 117.00 1xjm h LEU 365 Ca 0.05 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1xjm h LEU 365 Cb 0.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1xjm h LEU 365 CO -0.21 0.88 -0.53 -0.78 0.09 0.00 0.00 178.44 177.88 1xjm h ASP 366 N 1.21 0.08 -0.12 -0.43 3.58 -0.48 -2.89 116.42 117.37 1xjm h ASP 366 Ca 0.30 -0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.60 1xjm h ASP 366 Cb 0.05 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1xjm h ASP 366 CO -0.05 0.60 -0.30 0.78 -2.88 0.00 0.00 179.24 177.39 1xjm h ASN 367 N 0.06 0.61 -0.92 2.28 4.21 -0.16 -3.10 115.58 118.56 1xjm h ASN 367 Ca -0.00 -0.24 0.18 0.00 1.21 0.00 0.00 56.30 57.45 1xjm h ASN 367 Cb 0.96 -0.17 -0.08 0.00 -1.12 0.00 0.00 38.32 37.92 1xjm h ASN 367 CO 0.07 0.88 0.59 0.58 -1.29 0.00 0.00 177.43 178.27 1xjm h VAL 368 N 0.51 0.75 -0.16 2.81 2.07 -1.03 -1.15 116.25 120.05 1xjm h VAL 368 Ca 0.06 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1xjm h VAL 368 Cb 0.78 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1xjm h VAL 368 CO 0.06 0.11 -0.27 0.40 0.02 0.00 0.00 177.57 177.89 1xjm h ILE 369 N 0.59 0.36 0.00 4.57 2.04 -1.60 -0.13 117.51 123.34 1xjm h ILE 369 Ca 0.48 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.33 1xjm h ILE 369 Cb 0.93 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1xjm h ILE 369 CO -0.23 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.33 1xjm h ASP 370 N -0.33 0.00 -0.01 1.72 3.32 -1.34 -2.20 116.42 117.58 1xjm h ASP 370 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xjm h ASP 370 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1xjm h ASP 370 CO -0.35 0.03 -0.14 1.33 -1.72 0.00 0.00 179.24 178.39 1xjm n VAL 371 N -3.32 0.00 -2.15 -1.35 0.24 -1.10 -4.97 118.33 105.67 1xjm n VAL 371 Ca -0.02 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.34 61.45 1xjm n VAL 371 Cb 0.16 1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.73 1xjm n VAL 371 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1xjm s ASN 372 N -1.39 6.80 -0.12 -1.34 3.84 -0.08 -4.94 114.94 117.71 1xjm s ASN 372 Ca 0.13 2.64 0.02 0.00 0.21 0.00 0.00 52.86 55.86 1xjm s ASN 372 Cb 0.11 -2.65 0.01 0.00 -0.55 0.00 0.00 41.25 38.18 1xjm s ASN 372 CO 0.25 -0.51 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.18 1xjm s VAL 373 N -1.15 1.74 0.17 -5.21 1.01 -0.43 -5.00 120.40 111.52 1xjm s VAL 373 Ca 0.49 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1xjm s VAL 373 Cb -0.39 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1xjm s VAL 373 CO 0.51 0.49 0.14 -0.36 0.00 0.00 0.00 175.10 175.88 1xjm s PHE 374 N 0.86 3.14 -2.20 5.22 0.40 -1.26 -3.69 117.98 120.46 1xjm s PHE 374 Ca -0.08 -0.03 0.20 0.00 -0.60 0.00 0.00 56.93 56.42 1xjm s PHE 374 Cb -0.15 -1.50 0.83 0.00 0.51 0.00 0.00 43.02 42.70 1xjm s PHE 374 CO -0.01 0.52 1.58 -0.35 0.70 0.00 0.00 175.22 177.66 1xjm n PRO 375 N -0.42 1.54 -3.70 0.24 -0.04 -1.26 -4.77 135.00 126.58 1xjm n PRO 375 Ca -0.08 -0.81 -0.19 0.00 -0.04 0.00 0.00 63.50 62.38 1xjm n PRO 375 Cb 0.55 -1.36 -0.17 0.00 -0.04 0.00 0.00 33.50 32.47 1xjm n PRO 375 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xjm s ILE 376 N -1.84 -0.09 0.31 0.52 1.01 -1.26 -5.04 121.20 114.82 1xjm s ILE 376 Ca 0.31 0.36 0.05 0.00 0.00 0.00 0.00 60.65 61.37 1xjm s ILE 376 Cb 0.16 -0.14 0.30 0.00 0.01 0.00 0.00 42.46 42.79 1xjm s ILE 376 CO 0.25 0.16 1.84 0.44 0.00 0.00 0.00 174.94 177.62 1xjm h ASP 377 N 8.11 0.81 -0.31 3.58 5.19 -2.00 -1.65 116.42 130.15 1xjm h ASP 377 Ca -0.22 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.21 1xjm h ASP 377 Cb 1.12 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 1xjm h ASP 377 CO 0.25 0.40 0.09 0.11 -3.12 0.00 0.00 179.24 176.97 1xjm h LYS 378 N 0.85 0.57 -0.10 3.56 1.57 -1.96 -1.12 116.57 119.95 1xjm h LYS 378 Ca 0.49 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 1xjm h LYS 378 Cb 0.64 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1xjm h LYS 378 CO -0.26 0.53 -0.08 0.82 -0.57 0.00 0.00 179.45 179.89 1xjm h ILE 379 N 0.56 1.35 -0.79 1.86 2.04 -1.43 -1.25 117.51 119.85 1xjm h ILE 379 Ca 0.13 -1.20 0.19 0.00 1.00 0.00 0.00 64.86 64.98 1xjm h ILE 379 Cb 0.23 1.93 -0.12 0.00 -0.74 0.00 0.00 36.82 38.11 1xjm h ILE 379 CO -0.00 0.34 0.16 0.74 0.00 0.00 0.00 178.15 179.39 1xjm h THR 380 N -0.17 0.41 -0.10 -0.27 2.02 -1.01 -1.86 112.91 111.93 1xjm h THR 380 Ca 0.02 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1xjm h THR 380 Cb 0.58 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1xjm h THR 380 CO 0.02 0.04 -0.42 0.50 0.37 0.00 0.00 175.52 176.03 1xjm h LYS 381 N 0.22 0.46 -0.39 6.66 3.64 -1.13 -2.16 116.57 123.86 1xjm h LYS 381 Ca 0.46 -0.36 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1xjm h LYS 381 Cb 0.84 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1xjm h LYS 381 CO -0.59 0.99 0.04 0.00 -2.27 0.00 0.00 179.45 177.62 1xjm h ALA 382 N 0.47 1.35 -0.32 5.00 0.00 -0.98 -1.46 119.26 123.32 1xjm h ALA 382 Ca -0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1xjm h ALA 382 Cb 1.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xjm h ALA 382 CO 0.09 0.46 -0.32 0.28 0.00 0.00 0.00 179.25 179.76 1xjm h VAL 383 N 0.58 1.29 -0.44 0.00 2.07 -1.36 -2.96 116.25 115.43 1xjm h VAL 383 Ca 0.13 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 1xjm h VAL 383 Cb 0.30 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1xjm h VAL 383 CO 0.01 0.48 0.04 0.11 0.02 0.00 0.00 177.57 178.23 1xjm h LYS 384 N 0.54 0.69 -0.27 1.57 1.57 -1.12 0.60 116.57 120.15 1xjm h LYS 384 Ca 0.05 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 1xjm h LYS 384 Cb 0.90 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1xjm h LYS 384 CO 0.08 0.68 -0.45 0.93 -0.57 0.00 0.00 179.45 180.11 1xjm h GLU 385 N 0.66 0.71 0.00 3.15 5.08 -1.31 -3.39 114.58 119.47 1xjm h GLU 385 Ca 0.14 -0.39 -0.30 0.00 -1.00 0.00 0.00 59.36 57.80 1xjm h GLU 385 Cb 0.35 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1xjm h GLU 385 CO 0.01 1.01 -2.15 0.43 -1.00 0.00 0.00 179.01 177.31 1xjm n SER 386 N -4.02 2.39 -3.80 1.42 7.64 -1.12 -2.81 113.62 113.33 1xjm n SER 386 Ca -0.03 -0.11 -0.24 0.00 1.01 0.00 0.00 58.87 59.51 1xjm n SER 386 Cb 0.56 -0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.49 1xjm n SER 386 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xjm n ARG 387 N -3.08 -3.94 -2.35 1.43 1.74 0.19 -1.33 116.66 109.32 1xjm n ARG 387 Ca -0.36 0.52 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 1xjm n ARG 387 Cb 0.89 -4.83 -0.03 0.00 -1.02 0.00 0.00 32.46 27.46 1xjm n ARG 387 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xjm s ARG 388 N -6.21 4.46 0.28 5.56 3.52 -1.26 -3.96 118.95 121.34 1xjm s ARG 388 Ca 0.04 1.89 0.11 0.00 -0.13 0.00 0.00 55.73 57.64 1xjm s ARG 388 Cb -0.01 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 1xjm s ARG 388 CO 0.85 -0.16 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.55 1xjm s LEU 389 N 0.07 2.80 -0.53 -0.88 1.43 0.15 -4.27 118.68 117.46 1xjm s LEU 389 Ca 0.55 -0.92 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1xjm s LEU 389 Cb -0.33 -1.30 0.23 0.00 0.03 0.00 0.00 46.19 44.83 1xjm s LEU 389 CO 0.35 -0.00 0.60 0.61 0.23 0.00 0.00 176.35 178.14 1xjm n GLY 390 N -0.73 3.73 3.68 -3.19 0.00 -0.76 -3.20 105.19 104.71 1xjm n GLY 390 Ca -0.05 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1xjm n GLY 390 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xjm s LEU 391 N -1.64 4.29 0.00 0.99 2.96 0.13 -2.15 118.68 123.26 1xjm s LEU 391 Ca 0.36 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1xjm s LEU 391 Cb 0.13 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1xjm s LEU 391 CO -0.08 -0.78 0.00 0.61 -1.32 0.00 0.00 176.35 174.78 1xjm n GLY 392 N 3.75 5.82 3.18 7.98 0.00 0.15 -0.84 105.19 125.22 1xjm n GLY 392 Ca 0.14 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 1xjm n GLY 392 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xjm s ILE 393 N -0.37 0.94 0.36 -0.61 -4.36 -1.26 -1.33 121.20 114.58 1xjm s ILE 393 Ca 0.00 -1.63 0.06 0.00 -0.26 0.00 0.00 60.65 58.82 1xjm s ILE 393 Cb 0.00 -1.35 -0.03 0.00 1.25 0.00 0.00 42.46 42.33 1xjm s ILE 393 CO 0.00 -0.55 0.22 0.00 0.24 0.00 0.00 174.94 174.85 1xjm s MET 394 N -2.77 1.84 0.00 0.37 0.23 0.18 -4.06 119.30 115.08 1xjm s MET 394 Ca 0.05 -2.09 0.00 0.00 -1.03 0.00 0.00 55.69 52.62 1xjm s MET 394 Cb -0.03 -0.02 0.00 0.00 -1.53 0.00 0.00 34.83 33.25 1xjm s MET 394 CO 0.00 -0.60 0.00 0.41 -2.03 0.00 0.00 175.02 172.80 1xjm n GLY 395 N -0.74 0.87 0.26 3.16 0.00 0.16 -1.13 105.19 107.76 1xjm n GLY 395 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1xjm n GLY 395 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xjm h PHE 396 N 0.00 0.76 -0.53 1.61 3.57 -1.78 0.10 116.94 120.67 1xjm h PHE 396 Ca 0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1xjm h PHE 396 Cb 0.00 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 1xjm h PHE 396 CO 0.00 0.42 -0.03 0.00 -2.23 0.00 0.00 178.31 176.47 1xjm h ALA 397 N 1.30 0.72 -0.12 2.41 0.00 -1.82 -1.14 119.26 120.61 1xjm h ALA 397 Ca 0.28 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1xjm h ALA 397 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xjm h ALA 397 CO -0.12 0.57 -0.46 -0.44 0.00 0.00 0.00 179.25 178.80 1xjm h ASP 398 N 0.83 0.31 -0.20 0.00 3.32 -1.80 -1.23 116.42 117.67 1xjm h ASP 398 Ca 0.15 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1xjm h ASP 398 Cb 0.58 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 1xjm h ASP 398 CO 0.03 0.73 -0.15 0.25 -1.72 0.00 0.00 179.24 178.38 1xjm h LEU 399 N 0.24 -0.49 -1.19 1.55 5.85 -0.47 -1.85 115.31 118.96 1xjm h LEU 399 Ca 0.02 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1xjm h LEU 399 Cb 0.90 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1xjm h LEU 399 CO 0.07 -0.19 0.56 -0.07 -0.34 0.00 0.00 178.44 178.47 1xjm h LEU 400 N -0.16 0.92 -0.01 2.25 3.38 -0.93 -0.63 115.31 120.13 1xjm h LEU 400 Ca 0.12 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1xjm h LEU 400 Cb 0.33 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1xjm h LEU 400 CO -0.29 0.65 -0.20 1.88 0.09 0.00 0.00 178.44 180.56 1xjm h TYR 401 N 1.08 -0.53 -0.91 1.13 0.05 -1.02 0.66 116.97 117.43 1xjm h TYR 401 Ca 0.33 0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.13 1xjm h TYR 401 Cb -0.02 0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1xjm h TYR 401 CO -0.00 -0.29 0.60 0.87 -1.05 0.00 0.00 178.16 178.29 1xjm h LYS 402 N -0.32 1.20 -0.00 4.88 1.57 -0.58 -1.40 116.57 121.92 1xjm h LYS 402 Ca 0.06 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xjm h LYS 402 Cb 0.40 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1xjm h LYS 402 CO -0.20 0.80 -0.02 1.28 -0.57 0.00 0.00 179.45 180.75 1xjm n LEU 403 N -4.39 0.33 -3.21 2.94 4.77 -0.31 -4.89 117.00 112.24 1xjm n LEU 403 Ca 0.10 -0.06 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 1xjm n LEU 403 Cb 0.02 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1xjm n LEU 403 CO 0.37 0.06 0.07 -0.62 -1.33 0.00 0.00 177.39 175.93 1xjm n GLU 404 N -0.82 -5.70 -4.00 3.23 -0.58 -0.53 -5.00 120.64 107.24 1xjm n GLU 404 Ca 0.21 0.87 -0.35 0.00 -0.42 0.00 0.00 57.16 57.47 1xjm n GLU 404 Cb 0.19 -5.79 -0.11 0.00 -0.57 0.00 0.00 31.44 25.16 1xjm n GLU 404 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xjm s ILE 405 N -3.22 4.46 0.24 -3.67 1.01 0.14 -4.91 121.20 115.25 1xjm s ILE 405 Ca 0.39 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 1xjm s ILE 405 Cb -0.18 -3.03 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 1xjm s ILE 405 CO 0.48 0.42 1.17 -2.84 0.00 0.00 0.00 174.94 174.18 1xjm s PRO 406 N 0.80 4.53 0.22 2.79 0.02 -1.26 -4.40 135.00 137.70 1xjm s PRO 406 Ca 0.03 1.89 -0.08 0.00 0.02 0.00 0.00 61.00 62.86 1xjm s PRO 406 Cb -0.14 -3.20 0.25 0.00 0.02 0.00 0.00 34.50 31.44 1xjm s PRO 406 CO 0.02 0.01 1.86 -0.92 -0.33 0.00 0.00 177.00 177.64 1xjm h TYR 407 N 4.49 0.93 -1.73 6.54 5.03 -1.82 -3.25 116.97 127.16 1xjm h TYR 407 Ca -0.46 0.03 -0.77 0.00 2.58 0.00 0.00 58.73 60.11 1xjm h TYR 407 Cb 1.21 -0.30 -0.18 0.00 1.55 0.00 0.00 36.73 39.01 1xjm h TYR 407 CO 0.60 0.51 1.74 0.27 -1.32 0.00 0.00 178.16 179.97 1xjm n ASN 408 N -4.62 5.37 -3.67 -2.11 6.94 -1.26 -4.69 115.26 111.22 1xjm n ASN 408 Ca 0.10 -3.17 -0.15 0.00 -0.02 0.00 0.00 54.58 51.34 1xjm n ASN 408 Cb 0.12 -1.44 -0.08 0.00 -2.36 0.00 0.00 39.78 36.02 1xjm n ASN 408 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xjm s SER 409 N 0.39 -0.37 0.54 0.53 1.04 -1.23 -5.02 113.70 109.58 1xjm s SER 409 Ca 0.38 0.31 0.24 0.00 0.48 0.00 0.00 55.95 57.36 1xjm s SER 409 Cb 0.08 0.40 1.42 0.00 0.10 0.00 0.00 66.02 68.02 1xjm s SER 409 CO 0.02 -0.52 2.06 -0.61 0.98 0.00 0.00 173.24 175.17 1xjm h GLN 410 N 3.50 0.00 -0.13 4.02 5.75 -1.90 -2.74 115.11 123.60 1xjm h GLN 410 Ca -0.29 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1xjm h GLN 410 Cb 1.16 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 1xjm h GLN 410 CO 0.40 0.00 0.06 1.49 -2.65 0.00 0.00 178.83 178.13 1xjm h GLU 411 N 0.00 0.19 -0.87 1.69 4.81 -1.95 -1.20 114.58 117.25 1xjm h GLU 411 Ca 0.15 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 1xjm h GLU 411 Cb 0.65 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.92 1xjm h GLU 411 CO -0.00 0.25 0.52 0.00 -0.73 0.00 0.00 179.01 179.05 1xjm h ALA 412 N 0.93 1.25 0.00 2.92 0.00 -1.65 0.47 119.26 123.17 1xjm h ALA 412 Ca 0.04 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 1xjm h ALA 412 Cb 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xjm h ALA 412 CO -0.01 0.18 -1.02 0.00 0.00 0.00 0.00 179.25 178.40 1xjm h ARG 413 N 0.88 0.63 -0.35 0.00 3.08 -1.37 0.11 114.38 117.36 1xjm h ARG 413 Ca 0.41 -0.68 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1xjm h ARG 413 Cb 0.33 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1xjm h ARG 413 CO -0.23 1.27 0.20 -0.44 -1.07 0.00 0.00 179.97 179.70 1xjm h ASP 414 N 0.36 0.43 -0.23 7.04 5.19 -1.19 -0.19 116.42 127.82 1xjm h ASP 414 Ca -0.12 -0.08 0.06 0.00 -0.62 0.00 0.00 57.03 56.27 1xjm h ASP 414 Cb 1.67 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 41.01 1xjm h ASP 414 CO 0.20 0.39 -0.15 0.15 -3.12 0.00 0.00 179.24 176.70 1xjm h PHE 415 N 0.45 -0.37 -0.49 4.55 3.57 -0.74 -2.32 116.94 121.58 1xjm h PHE 415 Ca 0.12 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1xjm h PHE 415 Cb 0.04 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1xjm h PHE 415 CO -0.03 -0.22 0.28 0.00 -2.23 0.00 0.00 178.31 176.11 1xjm h ALA 416 N 1.03 0.63 -0.57 2.41 0.00 -0.63 -0.73 119.26 121.39 1xjm h ALA 416 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xjm h ALA 416 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xjm h ALA 416 CO -0.32 -0.04 0.17 0.00 0.00 0.00 0.00 179.25 179.06 1xjm h ALA 417 N 1.23 0.75 -0.41 0.00 0.00 -0.96 -0.43 119.26 119.44 1xjm h ALA 417 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1xjm h ALA 417 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xjm h ALA 417 CO -0.11 0.42 0.11 -0.91 0.00 0.00 0.00 179.25 178.75 1xjm h ASN 418 N 0.80 0.62 -0.10 0.00 2.35 -1.15 0.13 115.58 118.24 1xjm h ASN 418 Ca 0.18 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1xjm h ASN 418 Cb 0.29 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1xjm h ASN 418 CO -0.00 0.68 0.05 0.25 -1.65 0.00 0.00 177.43 176.76 1xjm h LEU 419 N 0.53 0.12 -0.50 1.61 5.85 -1.01 -0.44 115.31 121.47 1xjm h LEU 419 Ca 0.13 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1xjm h LEU 419 Cb 0.30 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1xjm h LEU 419 CO 0.00 0.18 0.04 -0.03 -0.34 0.00 0.00 178.44 178.30 1xjm h MET 420 N 0.05 0.85 -0.46 1.25 4.05 -0.94 -1.68 114.93 118.04 1xjm h MET 420 Ca 0.03 -0.25 0.09 0.00 -0.28 0.00 0.00 59.70 59.29 1xjm h MET 420 Cb 0.09 -0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 30.72 1xjm h MET 420 CO -0.01 0.87 -0.01 0.00 0.23 0.00 0.00 176.91 177.99 1xjm h ALA 421 N 0.95 0.42 -0.06 0.39 0.00 -0.68 0.17 119.26 120.45 1xjm h ALA 421 Ca 0.15 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1xjm h ALA 421 Cb 0.45 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xjm h ALA 421 CO 0.02 -0.40 -0.01 0.35 0.00 0.00 0.00 179.25 179.21 1xjm h PHE 422 N 0.10 -0.02 -0.64 0.00 3.57 -0.73 -0.79 116.94 118.43 1xjm h PHE 422 Ca 0.23 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1xjm h PHE 422 Cb 0.34 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1xjm h PHE 422 CO -0.31 -0.02 0.32 0.82 -2.23 0.00 0.00 178.31 176.89 1xjm h ILE 423 N 0.01 1.22 0.33 1.41 2.04 -1.00 -2.53 117.51 118.98 1xjm h ILE 423 Ca 0.03 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1xjm h ILE 423 Cb 0.04 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1xjm h ILE 423 CO -0.05 0.25 -0.30 0.00 0.00 0.00 0.00 178.15 178.04 1xjm h ALA 424 N 1.14 -0.66 -0.92 1.87 0.00 -0.41 -0.36 119.26 119.92 1xjm h ALA 424 Ca 0.22 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1xjm h ALA 424 Cb 0.10 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.18 1xjm h ALA 424 CO -0.03 -0.90 -0.43 1.25 0.00 0.00 0.00 179.25 179.14 1xjm h LEU 425 N -0.65 -1.57 -0.21 0.00 5.85 -0.97 -0.37 115.31 117.38 1xjm h LEU 425 Ca -0.02 0.30 -0.19 0.00 0.84 0.00 0.00 57.88 58.81 1xjm h LEU 425 Cb 0.59 0.78 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1xjm h LEU 425 CO -0.05 -0.28 -0.91 0.45 -0.34 0.00 0.00 178.44 177.31 1xjm h HIS 426 N -0.04 0.06 0.07 1.25 3.86 -1.29 -0.40 115.15 118.66 1xjm h HIS 426 Ca 0.28 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1xjm h HIS 426 Cb 0.55 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1xjm h HIS 426 CO -0.87 0.92 -0.03 0.00 0.86 0.00 0.00 177.93 178.81 1xjm h ALA 427 N 1.07 -0.09 -0.46 2.45 0.00 -0.61 0.29 119.26 121.90 1xjm h ALA 427 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1xjm h ALA 427 Cb 1.59 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1xjm h ALA 427 CO 0.12 -0.43 0.11 0.45 0.00 0.00 0.00 179.25 179.50 1xjm h HIS 428 N -0.32 0.71 -0.45 0.00 -0.00 -1.11 0.10 115.15 114.09 1xjm h HIS 428 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1xjm h HIS 428 Cb 0.28 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 1xjm h HIS 428 CO 0.00 0.61 0.29 -0.09 -0.00 0.00 0.00 177.93 178.74 1xjm h ARG 429 N 0.68 0.60 -0.84 2.45 2.43 -1.04 -2.00 114.38 116.66 1xjm h ARG 429 Ca 0.15 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1xjm h ARG 429 Cb 0.26 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1xjm h ARG 429 CO -0.00 0.41 0.55 1.15 -1.51 0.00 0.00 179.97 180.58 1xjm h THR 430 N 0.60 1.18 -0.84 0.20 2.02 -0.50 -2.17 112.91 113.40 1xjm h THR 430 Ca 0.16 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1xjm h THR 430 Cb -0.04 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.32 1xjm h THR 430 CO -0.03 0.20 0.47 -1.28 0.37 0.00 0.00 175.52 175.25 1xjm h SER 431 N 1.09 1.03 -0.19 4.18 0.87 -0.47 -0.92 113.55 119.15 1xjm h SER 431 Ca 0.32 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1xjm h SER 431 Cb -0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 1xjm h SER 431 CO -0.08 0.82 0.11 0.22 -0.53 0.00 0.00 176.83 177.37 1xjm h TYR 432 N 1.16 0.25 -0.96 2.24 3.20 -1.09 -1.08 116.97 120.69 1xjm h TYR 432 Ca 0.30 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.20 1xjm h TYR 432 Cb 0.01 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 1xjm h TYR 432 CO 0.00 0.23 0.63 0.93 -1.64 0.00 0.00 178.16 178.31 1xjm h GLU 433 N 0.20 1.16 0.00 1.82 5.08 -0.96 -2.20 114.58 119.69 1xjm h GLU 433 Ca 0.07 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1xjm h GLU 433 Cb 0.06 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1xjm h GLU 433 CO -0.01 0.77 -0.76 -0.07 -1.00 0.00 0.00 179.01 177.94 1xjm h LEU 434 N 1.20 0.00 -0.08 1.33 4.07 -1.01 -1.23 115.31 119.58 1xjm h LEU 434 Ca 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.34 1xjm h LEU 434 Cb 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1xjm h LEU 434 CO -0.12 0.76 0.03 1.23 -1.08 0.00 0.00 178.44 179.25 1xjm h GLY 435 N 2.33 0.14 0.52 0.83 0.00 -0.80 0.13 103.07 106.21 1xjm h GLY 435 Ca -0.01 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.31 1xjm h GLY 435 CO 0.10 0.08 0.15 1.70 0.00 0.00 0.00 176.54 178.57 1xjm h LYS 436 N -0.05 0.31 -0.12 4.80 3.64 -1.37 0.12 116.57 123.90 1xjm h LYS 436 Ca 0.03 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 1xjm h LYS 436 Cb 0.20 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1xjm h LYS 436 CO -0.00 0.20 -0.84 1.49 -2.27 0.00 0.00 179.45 178.03 1xjm h GLU 437 N 0.31 0.76 0.00 1.90 4.81 -1.03 -3.39 114.58 117.94 1xjm h GLU 437 Ca 0.23 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1xjm h GLU 437 Cb 0.25 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1xjm h GLU 437 CO -0.25 1.26 -0.43 1.63 -0.73 0.00 0.00 179.01 180.49 1xjm n LYS 438 N -3.91 3.50 0.00 1.92 5.02 0.43 -4.14 118.16 120.97 1xjm n LYS 438 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1xjm n LYS 438 Cb 0.78 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1xjm n LYS 438 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjm n GLY 439 N 1.52 3.02 3.81 0.72 0.00 0.42 -4.82 105.19 109.85 1xjm n GLY 439 Ca 0.00 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1xjm n GLY 439 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjm s ASN 440 N 0.00 5.11 0.16 1.61 0.01 -1.23 -4.33 114.94 116.27 1xjm s ASN 440 Ca 0.00 1.54 -0.31 0.00 -0.71 0.00 0.00 52.86 53.38 1xjm s ASN 440 Cb 0.00 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.19 1xjm s ASN 440 CO 0.00 -1.61 1.54 0.72 -1.51 0.00 0.00 177.10 176.24 1xjm s PHE 441 N -3.07 3.09 0.30 2.20 -0.71 -0.26 -4.86 117.98 114.67 1xjm s PHE 441 Ca 0.59 0.69 0.19 0.00 -1.04 0.00 0.00 56.93 57.36 1xjm s PHE 441 Cb -0.14 -3.89 1.05 0.00 -1.21 0.00 0.00 43.02 38.83 1xjm s PHE 441 CO 0.55 -3.25 1.18 -2.30 -1.34 0.00 0.00 175.22 170.06 1xjm n PRO 442 N 3.88 -0.04 -0.61 1.99 -0.02 -1.18 -1.13 135.00 137.90 1xjm n PRO 442 Ca 0.13 1.00 0.08 0.00 -2.02 0.00 0.00 63.50 62.69 1xjm n PRO 442 Cb 0.39 -1.85 0.34 0.00 -0.02 0.00 0.00 33.50 32.36 1xjm n PRO 442 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xjm n LEU 443 N -4.50 4.56 -0.09 2.45 4.77 -1.12 -4.46 117.00 118.61 1xjm n LEU 443 Ca 0.29 -2.30 -0.06 0.00 -0.03 0.00 0.00 56.01 53.91 1xjm n LEU 443 Cb 1.05 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1xjm n LEU 443 CO 0.06 0.74 0.78 0.25 -1.33 0.00 0.00 177.39 177.88 1xjm h LEU 444 N 3.81 -0.42 -1.27 2.23 6.46 -1.44 -2.62 115.31 122.06 1xjm h LEU 444 Ca 0.00 0.11 0.20 0.00 -0.12 0.00 0.00 57.88 58.08 1xjm h LEU 444 Cb 1.42 0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 41.52 1xjm h LEU 444 CO 0.24 -0.15 0.62 -0.33 -0.62 0.00 0.00 178.44 178.20 1xjm h GLU 445 N -0.05 0.55 -0.33 1.25 3.07 -1.84 0.96 114.58 118.20 1xjm h GLU 445 Ca 0.17 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1xjm h GLU 445 Cb 0.30 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1xjm h GLU 445 CO -0.38 0.37 0.00 0.44 -1.40 0.00 0.00 179.01 178.04 1xjm n ILE 446 N -4.63 0.44 -2.82 3.13 -5.35 -1.10 -4.54 119.36 104.50 1xjm n ILE 446 Ca 0.22 -0.72 -0.26 0.00 -0.27 0.00 0.00 62.75 61.72 1xjm n ILE 446 Cb 0.66 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.61 1xjm n ILE 446 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xjm s SER 447 N -1.50 6.09 0.11 7.28 1.04 0.33 -4.86 113.70 122.19 1xjm s SER 447 Ca 0.36 0.68 0.20 0.00 0.48 0.00 0.00 55.95 57.66 1xjm s SER 447 Cb 0.21 -1.99 0.82 0.00 0.10 0.00 0.00 66.02 65.16 1xjm s SER 447 CO 0.30 -0.62 1.62 0.54 0.98 0.00 0.00 173.24 176.06 1xjm n ARG 448 N -2.18 0.09 0.26 4.02 1.74 0.38 -1.21 116.66 119.76 1xjm n ARG 448 Ca 0.00 0.29 0.11 0.00 -0.77 0.00 0.00 57.85 57.48 1xjm n ARG 448 Cb 0.56 -1.66 0.72 0.00 -1.02 0.00 0.00 32.46 31.06 1xjm n ARG 448 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1xjm h TYR 449 N 0.00 0.00 0.00 -1.55 0.05 -1.85 -3.04 116.97 110.59 1xjm h TYR 449 Ca 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.46 1xjm h TYR 449 Cb 0.35 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.04 1xjm h TYR 449 CO 0.00 0.07 -1.94 -2.13 -1.05 0.00 0.00 178.16 173.11 1xjm n ARG 450 N -4.10 0.57 -0.03 4.88 3.00 -0.35 -3.90 116.66 116.73 1xjm n ARG 450 Ca -0.03 0.32 0.12 0.00 -0.00 0.00 0.00 57.85 58.26 1xjm n ARG 450 Cb 0.15 -1.53 0.55 0.00 0.00 0.00 0.00 32.46 31.63 1xjm n ARG 450 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1xjm n THR 451 N -4.34 0.07 -4.30 5.15 -2.24 -0.71 -4.85 114.28 103.06 1xjm n THR 451 Ca -0.41 -0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.05 1xjm n THR 451 Cb 0.75 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.92 1xjm n THR 451 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xjm s GLU 452 N -1.93 1.32 -0.24 -0.78 2.02 -1.15 -5.00 118.70 112.95 1xjm s GLU 452 Ca 0.34 -1.69 -0.18 0.00 0.02 0.00 0.00 54.97 53.46 1xjm s GLU 452 Cb 0.17 -0.35 -0.16 0.00 0.10 0.00 0.00 34.13 33.89 1xjm s GLU 452 CO 0.28 -0.21 -0.04 -0.25 0.02 0.00 0.00 175.26 175.06 1xjm n ASP 453 N -0.40 1.90 -2.57 -0.19 8.00 -1.26 -4.69 116.55 117.34 1xjm n ASP 453 Ca -0.03 0.39 -0.14 0.00 0.71 0.00 0.00 54.79 55.72 1xjm n ASP 453 Cb 0.65 -0.90 0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1xjm n ASP 453 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xjm n ASN 454 N -4.35 2.77 -4.69 -2.24 3.02 -1.26 -4.92 115.26 103.59 1xjm n ASN 454 Ca -0.42 -2.98 -0.42 0.00 -0.03 0.00 0.00 54.58 50.73 1xjm n ASN 454 Cb 0.77 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1xjm n ASN 454 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xjm s PHE 455 N -3.42 2.99 -0.07 3.10 5.36 -1.26 -5.02 117.98 119.65 1xjm s PHE 455 Ca 0.36 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 57.31 1xjm s PHE 455 Cb 0.41 -3.58 0.02 0.00 -0.34 0.00 0.00 43.02 39.53 1xjm s PHE 455 CO -0.04 -2.03 -0.09 0.08 -1.46 0.00 0.00 175.22 171.68 1xjm s VAL 456 N 2.29 0.95 -0.95 3.12 1.01 -1.26 -4.84 120.40 120.71 1xjm s VAL 456 Ca 0.61 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1xjm s VAL 456 Cb -0.29 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1xjm s VAL 456 CO 0.25 0.32 0.40 -0.81 0.00 0.00 0.00 175.10 175.26 1xjm n PRO 457 N 4.11 0.76 -3.50 2.72 -0.04 -1.26 -4.76 135.00 133.03 1xjm n PRO 457 Ca -0.21 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.15 1xjm n PRO 457 Cb 0.51 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1xjm n PRO 457 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xjm s PHE 458 N -0.94 -0.41 0.33 0.54 -0.12 -1.26 -4.19 117.98 111.92 1xjm s PHE 458 Ca 0.00 0.21 0.09 0.00 -0.05 0.00 0.00 56.93 57.18 1xjm s PHE 458 Cb 0.00 0.56 0.57 0.00 -0.63 0.00 0.00 43.02 43.52 1xjm s PHE 458 CO 0.00 -0.72 1.76 0.00 -0.05 0.00 0.00 175.22 176.21 1xjm h ALA 459 N 2.00 1.23 -0.88 1.99 0.00 -1.79 -3.48 119.26 118.33 1xjm h ALA 459 Ca -0.27 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1xjm h ALA 459 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xjm h ALA 459 CO 0.33 0.53 0.00 -1.33 0.00 0.00 0.00 179.25 178.78 1xjm n MET 460 N -4.07 0.00 -0.05 0.00 2.81 0.18 -4.97 117.12 111.03 1xjm n MET 460 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1xjm n MET 460 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.95 1xjm n MET 460 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xjm n GLY 461 N 0.00 0.97 1.14 3.03 0.00 -1.26 -4.89 105.19 104.19 1xjm n GLY 461 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1xjm n GLY 461 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xjm n MET 462 N -2.05 0.00 -3.62 1.61 2.81 -1.26 -5.11 117.12 109.51 1xjm n MET 462 Ca 0.00 -1.51 -0.13 0.00 -1.81 0.00 0.00 57.70 54.25 1xjm n MET 462 Cb 0.00 -0.05 -0.06 0.00 -0.71 0.00 0.00 33.22 32.41 1xjm n MET 462 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xjm s SER 463 N -1.51 -0.36 0.00 7.83 0.15 -1.26 -4.37 113.70 114.18 1xjm s SER 463 Ca 0.19 0.06 0.31 0.00 0.70 0.00 0.00 55.95 57.22 1xjm s SER 463 Cb 0.22 0.46 1.78 0.00 -1.71 0.00 0.00 66.02 66.77 1xjm s SER 463 CO -0.10 -0.71 2.16 -3.20 1.20 0.00 0.00 173.24 172.59 1xjm n ASN 464 N 0.40 0.00 -0.02 5.45 2.85 -1.26 -3.57 115.26 119.10 1xjm n ASN 464 Ca -0.18 -0.76 0.14 0.00 -0.11 0.00 0.00 54.58 53.68 1xjm n ASN 464 Cb 0.60 -0.08 0.69 0.00 1.24 0.00 0.00 39.78 42.23 1xjm n ASN 464 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1xjm n TYR 465 N -1.08 0.00 -0.25 1.20 4.01 -1.26 -4.32 117.16 115.46 1xjm n TYR 465 Ca 0.21 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 58.00 1xjm n TYR 465 Cb 0.14 -0.29 0.18 0.00 -0.31 0.00 0.00 39.34 39.06 1xjm n TYR 465 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xjm h ASP 466 N 0.12 0.27 -0.40 7.72 3.45 -1.97 -0.08 116.42 125.53 1xjm h ASP 466 Ca 0.00 0.11 -0.14 0.00 0.43 0.00 0.00 57.03 57.43 1xjm h ASP 466 Cb 0.34 0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 1xjm h ASP 466 CO 0.00 0.10 -0.29 0.44 -1.57 0.00 0.00 179.24 177.92 1xjm h ASP 467 N 0.44 0.96 -0.81 6.45 3.32 -1.90 -0.47 116.42 124.41 1xjm h ASP 467 Ca 0.41 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1xjm h ASP 467 Cb 0.62 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1xjm h ASP 467 CO -0.40 1.19 0.42 -0.33 -1.72 0.00 0.00 179.24 178.40 1xjm h GLU 468 N 0.73 1.16 -0.39 3.56 5.08 -1.73 -1.63 114.58 121.36 1xjm h GLU 468 Ca 0.08 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1xjm h GLU 468 Cb 0.88 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1xjm h GLU 468 CO 0.08 0.87 0.19 0.82 -1.00 0.00 0.00 179.01 179.96 1xjm h ILE 469 N 1.16 1.17 -1.00 3.13 2.04 -0.62 -1.49 117.51 121.90 1xjm h ILE 469 Ca 0.29 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1xjm h ILE 469 Cb 0.07 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1xjm h ILE 469 CO -0.04 0.19 0.66 0.03 0.00 0.00 0.00 178.15 178.98 1xjm h ARG 470 N 0.49 1.28 -0.64 2.37 3.08 -0.89 -1.13 114.38 118.95 1xjm h ARG 470 Ca 0.13 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1xjm h ARG 470 Cb 0.12 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1xjm h ARG 470 CO -0.02 0.85 0.28 1.49 -1.07 0.00 0.00 179.97 181.51 1xjm h GLU 471 N 1.32 0.94 -0.15 0.04 4.81 -1.06 -1.76 114.58 118.73 1xjm h GLU 471 Ca 0.38 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1xjm h GLU 471 Cb -0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1xjm h GLU 471 CO -0.09 0.77 -0.41 0.28 -0.73 0.00 0.00 179.01 178.83 1xjm h VAL 472 N 0.90 1.31 -0.31 0.32 2.07 -0.86 -2.63 116.25 117.05 1xjm h VAL 472 Ca 0.22 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 66.10 1xjm h VAL 472 Cb 0.16 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1xjm h VAL 472 CO -0.02 0.47 -0.23 0.24 0.02 0.00 0.00 177.57 178.05 1xjm h MET 473 N 0.29 0.59 -0.59 1.57 2.86 -0.79 -2.18 114.93 116.68 1xjm h MET 473 Ca 0.03 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1xjm h MET 473 Cb 0.84 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1xjm h MET 473 CO 0.07 0.77 0.12 0.87 1.06 0.00 0.00 176.91 179.80 1xjm h LYS 474 N 0.52 0.95 -0.51 1.72 1.57 -1.24 -3.00 116.57 116.58 1xjm h LYS 474 Ca 0.08 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1xjm h LYS 474 Cb 0.67 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1xjm h LYS 474 CO 0.05 0.89 0.27 0.52 -0.57 0.00 0.00 179.45 180.61 1xjm h MET 475 N 0.86 0.70 0.00 3.15 2.86 -1.17 -2.32 114.93 119.02 1xjm h MET 475 Ca 0.18 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1xjm h MET 475 Cb 0.38 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1xjm h MET 475 CO 0.01 0.53 0.00 0.25 1.06 0.00 0.00 176.91 178.76 1xjm n THR 476 N -4.40 0.00 -0.31 2.22 -2.24 -0.84 -2.29 114.28 106.42 1xjm n THR 476 Ca 0.04 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1xjm n THR 476 Cb 0.11 -0.43 0.14 0.00 -2.10 0.00 0.00 70.33 68.05 1xjm n THR 476 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xjm h LYS 477 N 0.00 1.19 0.00 -0.78 3.64 -1.46 -3.36 116.57 115.80 1xjm h LYS 477 Ca 0.00 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1xjm h LYS 477 Cb 0.00 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1xjm h LYS 477 CO 0.00 0.83 -0.33 0.93 -2.27 0.00 0.00 179.45 178.61 1xjm h GLU 478 N 1.21 0.00 -5.14 1.90 5.08 -1.67 -3.43 114.58 112.52 1xjm h GLU 478 Ca 0.32 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 58.07 1xjm h GLU 478 Cb -0.06 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 28.86 1xjm h GLU 478 CO -0.06 0.34 -0.85 -0.06 -1.00 0.00 0.00 179.01 177.38 1xjm s PHE 479 N -1.99 2.02 -0.30 4.33 0.08 -1.22 -5.00 117.98 115.90 1xjm s PHE 479 Ca -0.12 -0.74 -0.12 0.00 0.12 0.00 0.00 56.93 56.07 1xjm s PHE 479 Cb 0.01 -1.38 0.16 0.00 -0.57 0.00 0.00 43.02 41.24 1xjm s PHE 479 CO 0.28 -0.30 0.87 0.50 -0.10 0.00 0.00 175.22 176.47 1xjm s ARG 480 N 0.34 0.38 0.31 0.44 3.52 -1.26 -4.15 118.95 118.53 1xjm s ARG 480 Ca -0.13 0.91 0.20 0.00 -0.13 0.00 0.00 55.73 56.58 1xjm s ARG 480 Cb -0.16 0.55 0.14 0.00 -1.56 0.00 0.00 34.95 33.92 1xjm s ARG 480 CO 0.05 -0.18 1.38 -0.09 -0.81 0.00 0.00 175.30 175.66 1xjm h ARG 481 N 7.71 0.00 -3.46 5.12 9.65 -1.50 -0.66 114.38 131.24 1xjm h ARG 481 Ca -0.17 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.49 1xjm h ARG 481 Cb 1.12 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 29.41 1xjm h ARG 481 CO 0.09 0.20 -0.62 -0.80 2.80 0.00 0.00 179.97 181.63 1xjm s ASN 482 N -6.11 -0.08 0.48 -3.80 -0.87 -1.26 -3.73 114.94 99.57 1xjm s ASN 482 Ca 0.04 0.19 0.17 0.00 -1.57 0.00 0.00 52.86 51.69 1xjm s ASN 482 Cb 0.07 0.16 1.16 0.00 -0.02 0.00 0.00 41.25 42.62 1xjm s ASN 482 CO 0.73 -0.06 2.05 1.62 -2.57 0.00 0.00 177.10 178.86 1xjm h VAL 483 N 5.35 1.00 -1.62 1.60 3.04 -1.33 -3.45 116.25 120.84 1xjm h VAL 483 Ca -0.30 -0.47 0.06 0.00 -1.01 0.00 0.00 66.70 64.98 1xjm h VAL 483 Cb 1.18 1.26 -0.23 0.00 -2.01 0.00 0.00 31.29 31.49 1xjm h VAL 483 CO 0.45 0.13 0.48 0.00 -1.01 0.00 0.00 177.57 177.62 1xjm s ALA 484 N -4.65 -1.93 0.00 3.17 0.00 -1.26 -4.79 121.76 112.30 1xjm s ALA 484 Ca -0.04 1.65 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1xjm s ALA 484 Cb 0.16 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1xjm s ALA 484 CO 0.67 -0.29 0.00 1.28 0.00 0.00 0.00 175.76 177.41 1xjm n LEU 485 N 1.17 0.00 -4.30 0.00 4.32 -1.23 0.30 117.00 117.25 1xjm n LEU 485 Ca -0.12 -0.08 -0.25 0.00 -0.02 0.00 0.00 56.01 55.54 1xjm n LEU 485 Cb 0.57 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.25 1xjm n LEU 485 CO 0.13 0.00 -0.52 -0.76 -1.22 0.00 0.00 177.39 175.01 1xjm s LEU 486 N -1.88 2.30 0.24 2.23 1.43 -1.19 0.21 118.68 122.01 1xjm s LEU 486 Ca 0.00 -0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 52.19 1xjm s LEU 486 Cb 0.00 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.32 1xjm s LEU 486 CO 0.00 0.08 0.66 0.28 0.23 0.00 0.00 176.35 177.60 1xjm s THR 487 N -1.15 0.00 -0.18 5.49 -1.32 -0.02 -2.21 115.64 116.25 1xjm s THR 487 Ca 0.07 -0.68 0.01 0.00 -1.21 0.00 0.00 61.69 59.88 1xjm s THR 487 Cb -0.10 -1.67 0.02 0.00 -1.51 0.00 0.00 72.50 69.25 1xjm s THR 487 CO 0.04 -0.01 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.63 1xjm s ILE 488 N -3.87 1.98 0.40 5.08 -1.09 -1.19 -3.34 121.20 119.18 1xjm s ILE 488 Ca 0.08 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 1xjm s ILE 488 Cb -0.04 -1.81 -0.01 0.00 -1.58 0.00 0.00 42.46 39.02 1xjm s ILE 488 CO 0.00 0.51 0.59 0.00 -1.23 0.00 0.00 174.94 174.82 1xjm s ALA 489 N 1.32 3.82 0.53 9.38 0.00 -1.26 -1.28 121.76 134.27 1xjm s ALA 489 Ca 0.05 -1.08 0.20 0.00 0.00 0.00 0.00 51.96 51.12 1xjm s ALA 489 Cb -0.13 -2.05 1.39 0.00 0.00 0.00 0.00 23.12 22.33 1xjm s ALA 489 CO -0.12 -0.20 2.16 -1.00 0.00 0.00 0.00 175.76 176.60 1xjm h PRO 490 N 0.60 0.00 -5.85 0.00 0.13 -1.93 -3.38 132.00 121.57 1xjm h PRO 490 Ca -0.47 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.28 1xjm h PRO 490 Cb 1.24 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1xjm h PRO 490 CO 0.58 0.02 -0.55 0.25 -0.23 0.00 0.00 178.00 178.07 1xjm n THR 491 N -4.32 -0.55 0.01 1.56 -2.24 -1.26 -3.68 114.28 103.80 1xjm n THR 491 Ca -0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 1xjm n THR 491 Cb 0.11 -1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 67.15 1xjm n THR 491 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xjm h GLY 492 N -0.77 -1.30 0.71 3.38 0.00 -1.97 -1.90 103.07 101.22 1xjm h GLY 492 Ca -0.39 0.67 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1xjm h GLY 492 CO 0.53 -0.38 -0.00 1.76 0.00 0.00 0.00 176.54 178.45 1xjm h SER 493 N -0.33 0.08 0.28 0.19 0.02 -2.00 -3.00 113.55 108.80 1xjm h SER 493 Ca 0.01 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.57 1xjm h SER 493 Cb 0.37 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1xjm h SER 493 CO -0.22 0.38 -0.32 0.16 -1.14 0.00 0.00 176.83 175.69 1xjm h ILE 494 N -0.22 1.25 -0.15 3.27 3.07 -1.94 -0.08 117.51 122.71 1xjm h ILE 494 Ca 0.01 -1.16 -0.15 0.00 1.55 0.00 0.00 64.86 65.11 1xjm h ILE 494 Cb 0.34 1.57 -0.01 0.00 -0.27 0.00 0.00 36.82 38.46 1xjm h ILE 494 CO 0.00 0.34 -0.54 0.77 -1.05 0.00 0.00 178.15 177.68 1xjm h SER 495 N 0.07 0.46 -0.28 2.16 4.64 -1.44 -0.89 113.55 118.26 1xjm h SER 495 Ca 0.01 -0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1xjm h SER 495 Cb 0.60 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1xjm h SER 495 CO 0.04 0.91 0.17 0.78 -0.87 0.00 0.00 176.83 177.87 1xjm h ASN 496 N 0.33 0.29 -0.86 4.97 2.35 -1.12 -0.86 115.58 120.68 1xjm h ASN 496 Ca 0.01 -0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.87 1xjm h ASN 496 Cb 1.05 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 39.27 1xjm h ASN 496 CO 0.09 0.21 0.49 0.40 -1.65 0.00 0.00 177.43 176.97 1xjm h ILE 497 N 0.36 0.86 -0.21 2.81 2.04 -0.87 -2.51 117.51 119.99 1xjm h ILE 497 Ca 0.11 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1xjm h ILE 497 Cb -0.02 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1xjm h ILE 497 CO -0.04 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.25 1xjm n ALA 498 N -2.38 2.50 -3.83 1.87 0.00 -0.36 -4.82 120.51 113.49 1xjm n ALA 498 Ca 0.15 -0.56 -0.26 0.00 0.00 0.00 0.00 53.44 52.78 1xjm n ALA 498 Cb 0.34 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.73 1xjm n ALA 498 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xjm n ASP 499 N 0.40 -1.60 -3.28 0.00 8.00 -0.42 -4.97 116.55 114.69 1xjm n ASP 499 Ca 0.15 -0.96 -0.17 0.00 0.71 0.00 0.00 54.79 54.52 1xjm n ASP 499 Cb 0.33 -3.37 -0.06 0.00 -0.02 0.00 0.00 41.12 38.00 1xjm n ASP 499 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xjm s THR 500 N -3.78 0.00 0.61 -3.53 -1.32 -0.67 -5.05 115.64 101.90 1xjm s THR 500 Ca 0.11 -1.77 -0.10 0.00 -1.21 0.00 0.00 61.69 58.72 1xjm s THR 500 Cb -0.04 -2.59 -0.02 0.00 -1.51 0.00 0.00 72.50 68.34 1xjm s THR 500 CO 0.86 0.00 0.99 -0.94 -2.21 0.00 0.00 174.62 173.33 1xjm s SER 501 N -3.30 5.99 -0.05 8.08 1.04 -1.26 -4.49 113.70 119.71 1xjm s SER 501 Ca 0.35 1.21 -0.22 0.00 0.48 0.00 0.00 55.95 57.77 1xjm s SER 501 Cb 0.01 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1xjm s SER 501 CO 0.24 -0.95 0.64 -0.44 0.98 0.00 0.00 173.24 173.70 1xjm s SER 502 N -4.22 6.95 0.16 7.02 0.01 -1.26 0.36 113.70 122.72 1xjm s SER 502 Ca 0.54 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1xjm s SER 502 Cb -0.11 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1xjm s SER 502 CO 0.51 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1xjm n GLY 503 N 2.88 2.58 0.82 3.44 0.00 -1.24 -1.64 105.19 112.02 1xjm n GLY 503 Ca -0.04 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1xjm n GLY 503 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xjm n LEU 504 N 0.00 2.73 -4.77 0.99 -0.00 -1.26 -3.37 117.00 111.32 1xjm n LEU 504 Ca 0.00 -1.07 -0.40 0.00 -0.00 0.00 0.00 56.01 54.53 1xjm n LEU 504 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 43.42 43.38 1xjm n LEU 504 CO 0.00 0.49 1.04 -1.61 -0.00 0.00 0.00 177.39 177.31 1xjm s GLU 505 N -1.61 4.13 0.92 1.47 0.41 -0.65 -4.72 118.70 118.63 1xjm s GLU 505 Ca 0.25 2.35 -0.10 0.00 -0.41 0.00 0.00 54.97 57.05 1xjm s GLU 505 Cb 0.17 -2.93 0.14 0.00 -1.78 0.00 0.00 34.13 29.72 1xjm s GLU 505 CO 0.25 -0.43 1.09 -0.35 -0.49 0.00 0.00 175.26 175.33 1xjm n PRO 506 N 0.45 -0.43 -1.97 0.39 -0.04 -1.26 -4.27 135.00 127.87 1xjm n PRO 506 Ca 0.02 -0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.01 1xjm n PRO 506 Cb 0.41 -2.34 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1xjm n PRO 506 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xjm s ASN 507 N -2.57 6.59 0.07 3.54 0.01 -1.26 -4.65 114.94 116.66 1xjm s ASN 507 Ca 0.66 2.80 -0.15 0.00 -0.71 0.00 0.00 52.86 55.46 1xjm s ASN 507 Cb -0.23 -2.65 -0.21 0.00 0.41 0.00 0.00 41.25 38.58 1xjm s ASN 507 CO 0.58 -0.71 1.21 0.15 -1.51 0.00 0.00 177.10 176.83 1xjm h PHE 508 N 3.90 0.94 -3.64 2.20 3.04 -1.94 0.73 116.94 122.17 1xjm h PHE 508 Ca -0.48 -0.47 -0.20 0.00 3.98 0.00 0.00 57.97 60.80 1xjm h PHE 508 Cb 1.23 -0.12 -0.25 0.00 2.56 0.00 0.00 35.95 39.36 1xjm h PHE 508 CO 0.57 1.30 -0.63 -0.51 -2.02 0.00 0.00 178.31 177.01 1xjm s LEU 509 N -8.30 1.82 0.09 0.59 1.43 -1.26 -4.05 118.68 109.00 1xjm s LEU 509 Ca -0.11 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1xjm s LEU 509 Cb 0.07 0.26 -0.22 0.00 0.03 0.00 0.00 46.19 46.33 1xjm s LEU 509 CO 0.89 -0.12 1.16 -0.07 0.23 0.00 0.00 176.35 178.44 1xjm h LEU 510 N 5.56 0.02 -7.58 1.79 3.38 -1.89 -3.46 115.31 113.13 1xjm h LEU 510 Ca -0.27 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.43 1xjm h LEU 510 Cb 1.20 -0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.64 1xjm h LEU 510 CO 0.45 1.01 -0.68 0.00 0.09 0.00 0.00 178.44 179.31 1xjm s ALA 511 N -2.69 -0.06 0.00 1.53 0.00 -1.26 0.16 121.76 119.44 1xjm s ALA 511 Ca -0.00 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1xjm s ALA 511 Cb 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1xjm s ALA 511 CO 0.82 -0.08 0.00 2.48 0.00 0.00 0.00 175.76 178.98 1xjm n TYR 512 N 3.70 0.00 -4.78 0.00 0.18 -1.26 -4.62 117.16 110.37 1xjm n TYR 512 Ca -0.21 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.26 1xjm n TYR 512 Cb 0.55 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.37 1xjm n TYR 512 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1xjm s VAL 529 N 0.00 2.62 0.14 -3.48 1.01 -1.26 -5.15 120.40 114.29 1xjm s VAL 529 Ca 0.00 -1.18 -0.35 0.00 0.00 0.00 0.00 61.98 60.45 1xjm s VAL 529 Cb 0.00 -2.07 -0.15 0.00 0.00 0.00 0.00 36.38 34.16 1xjm s VAL 529 CO 0.00 0.39 1.47 -3.20 0.00 0.00 0.00 175.10 173.76 1xjm n ASN 530 N 1.74 2.52 -0.07 3.32 2.85 0.12 -4.89 115.26 120.85 1xjm n ASN 530 Ca -0.16 1.10 -0.08 0.00 -0.11 0.00 0.00 54.58 55.32 1xjm n ASN 530 Cb 0.52 -1.34 0.07 0.00 1.24 0.00 0.00 39.78 40.28 1xjm n ASN 530 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1xjm h GLN 531 N 5.27 0.75 0.00 1.20 5.75 -1.96 -1.24 115.11 124.88 1xjm h GLN 531 Ca -0.46 -0.34 -0.07 0.00 -0.15 0.00 0.00 58.65 57.64 1xjm h GLN 531 Cb 1.29 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 1xjm h GLN 531 CO 0.84 0.95 -0.31 0.28 -2.65 0.00 0.00 178.83 177.94 1xjm h VAL 532 N 0.64 1.10 -0.00 2.39 2.07 -1.96 -1.13 116.25 119.36 1xjm h VAL 532 Ca 0.08 -1.12 -0.21 0.00 0.82 0.00 0.00 66.70 66.27 1xjm h VAL 532 Cb 0.81 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1xjm h VAL 532 CO 0.07 0.31 -0.89 0.25 0.02 0.00 0.00 177.57 177.32 1xjm h LEU 533 N 0.00 0.39 -0.34 2.57 5.85 -1.81 -2.92 115.31 119.06 1xjm h LEU 533 Ca -0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1xjm h LEU 533 Cb 0.60 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1xjm h LEU 533 CO 0.04 1.10 0.17 0.03 -0.34 0.00 0.00 178.44 179.44 1xjm h ARG 534 N 0.17 0.49 0.00 1.25 3.08 -0.89 -2.32 114.38 116.17 1xjm h ARG 534 Ca -0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1xjm h ARG 534 Cb 1.52 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1xjm h ARG 534 CO 0.15 0.45 0.00 0.39 -1.07 0.00 0.00 179.97 179.88 1xjm n GLU 535 N -4.74 0.49 0.00 0.04 1.02 -0.46 -3.76 120.64 113.22 1xjm n GLU 535 Ca -0.01 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1xjm n GLU 535 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1xjm n GLU 535 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xjm n LYS 536 N -1.13 2.54 -3.95 3.49 0.00 -1.10 -5.02 118.16 112.98 1xjm n LYS 536 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 58.09 1xjm n LYS 536 Cb 0.11 -0.92 -0.13 0.00 0.00 0.00 0.00 35.03 34.10 1xjm n LYS 536 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1xjm s LEU 537 N -3.17 3.30 0.00 3.14 2.96 -0.89 -5.04 118.68 118.98 1xjm s LEU 537 Ca 0.00 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1xjm s LEU 537 Cb 0.00 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.84 1xjm s LEU 537 CO 0.00 0.03 0.00 -0.46 -1.32 0.00 0.00 176.35 174.60 1xjm n ASN 538 N 4.50 0.00 0.00 3.68 0.23 -1.26 -4.70 115.26 117.71 1xjm n ASN 538 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 1xjm n ASN 538 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 1xjm n ASN 538 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1xjm n PRO 539 N -0.11 0.00 0.00 -0.53 -0.05 -1.26 -5.03 135.00 128.02 1xjm n PRO 539 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1xjm n PRO 539 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 1xjm n PRO 539 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1xjm n GLU 540 N 0.00 0.00 0.02 0.54 4.71 -1.26 -4.00 120.64 120.64 1xjm n GLU 540 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1xjm n GLU 540 Cb 0.00 0.00 0.17 0.00 -1.01 0.00 0.00 31.44 30.60 1xjm n GLU 540 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1xjm h ILE 541 N 0.00 1.28 0.31 -3.67 2.04 -1.96 -1.89 117.51 113.62 1xjm h ILE 541 Ca 0.00 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1xjm h ILE 541 Cb 0.00 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1xjm h ILE 541 CO 0.00 0.44 -0.15 0.25 0.00 0.00 0.00 178.15 178.69 1xjm h LEU 542 N 0.41 -0.35 -0.75 1.44 6.46 -1.84 -1.76 115.31 118.92 1xjm h LEU 542 Ca 0.05 -0.09 0.13 0.00 -0.12 0.00 0.00 57.88 57.84 1xjm h LEU 542 Cb 0.76 0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.69 1xjm h LEU 542 CO 0.06 -0.11 0.33 0.11 -0.62 0.00 0.00 178.44 178.21 1xjm h LYS 543 N -0.58 0.50 0.68 1.25 1.57 -1.87 -2.38 116.57 115.74 1xjm h LYS 543 Ca -0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1xjm h LYS 543 Cb 0.42 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.63 1xjm h LYS 543 CO 0.07 0.33 -0.33 -0.09 -0.57 0.00 0.00 179.45 178.87 1xjm h ARG 544 N 0.52 -0.88 0.00 3.15 2.43 -1.28 -3.34 114.38 114.98 1xjm h ARG 544 Ca 0.40 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.58 1xjm h ARG 544 Cb 0.54 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1xjm h ARG 544 CO -0.35 -0.55 -0.22 -0.84 -1.51 0.00 0.00 179.97 176.49 1xjm h ILE 545 N -1.15 0.45 -0.64 1.20 3.07 -1.30 -3.39 117.51 115.75 1xjm h ILE 545 Ca -0.09 -1.30 0.25 0.00 1.55 0.00 0.00 64.86 65.27 1xjm h ILE 545 Cb 0.73 1.95 -0.12 0.00 -0.27 0.00 0.00 36.82 39.11 1xjm h ILE 545 CO 0.15 0.22 0.27 1.21 -1.05 0.00 0.00 178.15 178.95 1xjm n GLU 546 N -3.25 -0.04 0.03 0.16 2.13 -0.90 -0.15 120.64 118.61 1xjm n GLU 546 Ca 0.01 0.90 -0.12 0.00 0.66 0.00 0.00 57.16 58.62 1xjm n GLU 546 Cb 0.51 -1.58 -0.14 0.00 0.27 0.00 0.00 31.44 30.51 1xjm n GLU 546 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1xjm h LYS 547 N 0.00 0.09 -0.44 5.31 5.09 -1.86 -2.78 116.57 121.99 1xjm h LYS 547 Ca 0.51 -0.16 -0.08 0.00 0.09 0.00 0.00 60.65 61.01 1xjm h LYS 547 Cb 1.29 0.06 -0.02 0.00 0.10 0.00 0.00 32.23 33.66 1xjm h LYS 547 CO -0.52 0.85 -0.05 1.49 -2.09 0.00 0.00 179.45 179.13 1xjm h GLU 548 N 0.03 0.74 0.00 0.07 4.81 -0.83 -1.28 114.58 118.11 1xjm h GLU 548 Ca -0.22 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 58.67 1xjm h GLU 548 Cb 1.96 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.24 1xjm h GLU 548 CO 0.12 0.79 -0.61 1.25 -0.73 0.00 0.00 179.01 179.83 1xjm h LEU 549 N 0.69 0.00 0.00 1.64 5.85 -1.45 0.25 115.31 122.29 1xjm h LEU 549 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xjm h LEU 549 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1xjm h LEU 549 CO 0.03 0.61 -0.06 0.40 -0.34 0.00 0.00 178.44 179.07 1xjm h ILE 550 N 0.00 0.00 0.00 4.05 2.04 -1.17 -1.84 117.51 120.60 1xjm h ILE 550 Ca -0.01 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1xjm h ILE 550 Cb 1.08 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1xjm h ILE 550 CO 0.08 0.00 -0.36 -0.33 0.00 0.00 0.00 178.15 177.54 1xjm h GLU 551 N 0.00 0.00 0.00 2.37 5.08 -0.98 -3.40 114.58 117.64 1xjm h GLU 551 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1xjm h GLU 551 Cb 0.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1xjm h GLU 551 CO 0.00 0.00 -0.05 0.87 -1.00 0.00 0.00 179.01 178.83 1xjm h LYS 552 N -0.99 0.00 0.00 2.33 1.57 -0.64 -3.47 116.57 115.37 1xjm h LYS 552 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xjm h LYS 552 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1xjm h LYS 552 CO 0.00 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 1xjm n GLY 553 N -0.04 0.38 3.54 3.86 0.00 -0.69 -4.95 105.19 107.28 1xjm n GLY 553 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1xjm n GLY 553 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xjm s SER 554 N -2.08 0.45 0.00 1.61 0.15 -1.25 -4.77 113.70 107.81 1xjm s SER 554 Ca 0.00 -1.26 0.19 0.00 0.70 0.00 0.00 55.95 55.58 1xjm s SER 554 Cb 0.00 0.64 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1xjm s SER 554 CO 0.00 -1.26 0.98 0.18 1.20 0.00 0.00 173.24 174.34 1xjm n LEU 555 N -0.48 1.86 0.30 3.45 4.77 -1.26 -4.55 117.00 121.09 1xjm n LEU 555 Ca -0.01 -0.77 -0.17 0.00 -0.03 0.00 0.00 56.01 55.03 1xjm n LEU 555 Cb 0.62 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1xjm n LEU 555 CO 0.27 0.35 0.61 0.50 -1.33 0.00 0.00 177.39 177.79 1xjm h LYS 556 N 2.19 -0.85 -0.92 3.23 3.64 -1.93 -2.99 116.57 118.93 1xjm h LYS 556 Ca 0.00 0.06 -0.62 0.00 -1.27 0.00 0.00 60.65 58.82 1xjm h LYS 556 Cb 0.66 0.19 -0.31 0.00 -0.41 0.00 0.00 32.23 32.36 1xjm h LYS 556 CO 0.00 -0.57 0.47 -0.25 -2.27 0.00 0.00 179.45 176.83 1xjm n ASP 557 N -5.51 6.66 -4.35 4.20 10.43 -1.26 -4.82 116.55 121.90 1xjm n ASP 557 Ca -0.12 -3.77 -0.37 0.00 2.57 0.00 0.00 54.79 53.10 1xjm n ASP 557 Cb 0.40 -0.82 -0.13 0.00 1.84 0.00 0.00 41.12 42.41 1xjm n ASP 557 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1xjm s ILE 558 N -4.62 3.94 0.61 0.53 1.01 -1.13 -5.12 121.20 116.42 1xjm s ILE 558 Ca 0.61 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 1xjm s ILE 558 Cb 0.48 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1xjm s ILE 558 CO 0.01 0.15 1.03 -2.84 0.00 0.00 0.00 174.94 173.29 1xjm s PRO 559 N 1.51 3.62 -0.55 2.79 0.02 -1.26 -4.06 135.00 137.07 1xjm s PRO 559 Ca 0.03 0.77 0.00 0.00 0.02 0.00 0.00 61.00 61.82 1xjm s PRO 559 Cb -0.17 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.27 1xjm s PRO 559 CO 0.02 -0.55 0.00 -0.25 -0.33 0.00 0.00 177.00 175.89 1xjm n ASP 560 N -2.65 -3.38 -4.41 2.53 9.92 -1.26 -5.05 116.55 112.25 1xjm n ASP 560 Ca 0.06 0.11 -0.34 0.00 -0.53 0.00 0.00 54.79 54.09 1xjm n ASP 560 Cb 0.54 -1.63 -0.13 0.00 -0.64 0.00 0.00 41.12 39.25 1xjm n ASP 560 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xjm s VAL 561 N -2.21 3.52 0.22 2.53 1.01 -1.26 -5.04 120.40 119.17 1xjm s VAL 561 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 61.98 61.19 1xjm s VAL 561 Cb 0.00 -2.55 -0.13 0.00 0.00 0.00 0.00 36.38 33.70 1xjm s VAL 561 CO 0.00 0.48 1.54 -2.65 0.00 0.00 0.00 175.10 174.47 1xjm n PRO 562 N 3.93 2.31 -0.35 2.72 -0.02 -1.26 -4.80 135.00 137.52 1xjm n PRO 562 Ca -0.18 0.83 0.33 0.00 -2.02 0.00 0.00 63.50 62.46 1xjm n PRO 562 Cb 0.52 -2.57 0.68 0.00 -0.02 0.00 0.00 33.50 32.11 1xjm n PRO 562 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xjm h GLU 563 N 5.18 0.11 -0.16 -0.52 4.57 -1.99 0.66 114.58 122.42 1xjm h GLU 563 Ca -0.45 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 57.56 1xjm h GLU 563 Cb 1.25 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 1xjm h GLU 563 CO 0.83 0.08 -0.56 -0.22 -1.18 0.00 0.00 179.01 177.96 1xjm h LYS 564 N 0.12 0.50 -0.34 1.92 3.64 -2.00 -2.10 116.57 118.30 1xjm h LYS 564 Ca 0.61 -0.32 -0.14 0.00 -1.27 0.00 0.00 60.65 59.54 1xjm h LYS 564 Cb 2.15 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 34.00 1xjm h LYS 564 CO -0.12 0.92 -0.34 0.82 -2.27 0.00 0.00 179.45 178.46 1xjm h ILE 565 N 0.38 1.28 -0.55 2.00 1.08 -1.25 -3.00 117.51 117.46 1xjm h ILE 565 Ca 0.01 -1.50 -0.08 0.00 -0.39 0.00 0.00 64.86 62.89 1xjm h ILE 565 Cb 1.09 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 1xjm h ILE 565 CO 0.10 0.49 0.02 0.11 -0.69 0.00 0.00 178.15 178.19 1xjm h LYS 566 N 0.65 0.95 -0.30 2.37 1.57 -1.20 -1.38 116.57 119.24 1xjm h LYS 566 Ca 0.07 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.41 1xjm h LYS 566 Cb 0.89 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1xjm h LYS 566 CO 0.08 0.95 -0.40 0.87 -0.57 0.00 0.00 179.45 180.37 1xjm h LYS 567 N 0.83 0.71 0.11 3.15 1.57 -1.38 -3.26 116.57 118.30 1xjm h LYS 567 Ca 0.16 -0.37 -0.18 0.00 -1.87 0.00 0.00 60.65 58.39 1xjm h LYS 567 Cb 0.50 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1xjm h LYS 567 CO 0.02 0.99 -0.83 0.28 -0.57 0.00 0.00 179.45 179.34 1xjm h VAL 568 N 0.58 1.43 -1.02 0.50 2.07 -1.53 -3.38 116.25 114.90 1xjm h VAL 568 Ca 0.05 -2.46 -0.70 0.00 0.82 0.00 0.00 66.70 64.40 1xjm h VAL 568 Cb 0.95 3.08 -0.11 0.00 -1.52 0.00 0.00 31.29 33.68 1xjm h VAL 568 CO 0.09 0.68 2.31 0.49 0.02 0.00 0.00 177.57 181.16 1xjm n PHE 569 N -4.17 2.45 -3.11 1.57 3.01 -0.52 -4.60 117.46 112.08 1xjm n PHE 569 Ca -0.17 -2.74 -0.35 0.00 1.01 0.00 0.00 57.45 55.20 1xjm n PHE 569 Cb 0.78 -1.85 -0.06 0.00 -0.01 0.00 0.00 39.48 38.34 1xjm n PHE 569 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1xjm s VAL 570 N -0.94 4.61 0.43 -4.37 -7.23 -1.25 -4.73 120.40 106.91 1xjm s VAL 570 Ca 0.56 1.17 0.08 0.00 -1.81 0.00 0.00 61.98 61.97 1xjm s VAL 570 Cb 0.21 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 1xjm s VAL 570 CO -0.10 0.07 0.39 0.68 -0.31 0.00 0.00 175.10 175.82 1xjm s VAL 571 N -1.69 2.56 0.28 1.32 -7.23 -1.26 -4.55 120.40 109.83 1xjm s VAL 571 Ca 0.47 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 1xjm s VAL 571 Cb -0.14 -2.91 0.36 0.00 0.56 0.00 0.00 36.38 34.25 1xjm s VAL 571 CO 0.20 0.00 1.60 0.00 -0.31 0.00 0.00 175.10 176.58 1xjm h ALA 572 N 1.00 1.01 -0.00 1.32 0.00 -0.99 -0.74 119.26 120.86 1xjm h ALA 572 Ca -0.41 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xjm h ALA 572 Cb 1.27 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1xjm h ALA 572 CO 0.57 -0.50 -0.29 1.28 0.00 0.00 0.00 179.25 180.32 1xjm n LEU 573 N -5.43 0.68 0.27 0.00 4.77 -1.26 -2.77 117.00 113.25 1xjm n LEU 573 Ca 0.19 -0.08 0.17 0.00 -0.03 0.00 0.00 56.01 56.27 1xjm n LEU 573 Cb 0.64 -0.20 0.66 0.00 -2.33 0.00 0.00 43.42 42.19 1xjm n LEU 573 CO -0.02 0.14 0.98 0.44 -1.33 0.00 0.00 177.39 177.60 1xjm h ASP 574 N 0.62 0.00 -3.79 -1.43 3.32 -1.52 -3.44 116.42 110.18 1xjm h ASP 574 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1xjm h ASP 574 Cb 0.48 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.87 1xjm h ASP 574 CO 0.00 0.00 -0.36 -0.63 -1.72 0.00 0.00 179.24 176.53 1xjm s ILE 575 N -3.64 5.23 0.77 0.35 1.01 -1.12 -4.98 121.20 118.83 1xjm s ILE 575 Ca 0.01 0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.91 1xjm s ILE 575 Cb 0.09 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.98 1xjm s ILE 575 CO 0.54 0.18 1.14 1.51 0.00 0.00 0.00 174.94 178.31 1xjm s ASP 576 N 1.69 4.16 0.38 3.58 1.47 -1.26 -4.82 116.67 121.87 1xjm s ASP 576 Ca 0.11 2.12 0.14 0.00 1.18 0.00 0.00 52.55 56.11 1xjm s ASP 576 Cb -0.16 -2.56 0.99 0.00 -0.34 0.00 0.00 42.92 40.85 1xjm s ASP 576 CO 0.10 -2.27 1.80 -0.65 0.68 0.00 0.00 175.17 174.84 1xjm h PRO 577 N -0.79 0.49 -0.04 2.11 0.11 -1.96 -2.51 132.00 129.41 1xjm h PRO 577 Ca -0.45 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1xjm h PRO 577 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1xjm h PRO 577 CO 0.49 0.33 -0.62 0.52 -0.21 0.00 0.00 178.00 178.51 1xjm h MET 578 N 0.51 0.16 -0.40 1.05 2.86 -1.93 -1.32 114.93 115.86 1xjm h MET 578 Ca 0.54 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.94 1xjm h MET 578 Cb 1.21 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1xjm h MET 578 CO -0.28 0.73 -0.28 -0.44 1.06 0.00 0.00 176.91 177.70 1xjm h ASP 579 N 0.11 0.93 -0.21 1.22 3.32 -1.82 0.25 116.42 120.22 1xjm h ASP 579 Ca -0.01 -0.43 0.06 0.00 0.02 0.00 0.00 57.03 56.67 1xjm h ASP 579 Cb 1.12 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 40.34 1xjm h ASP 579 CO 0.09 1.17 -0.28 0.45 -1.72 0.00 0.00 179.24 178.95 1xjm h HIS 580 N 0.71 -0.75 -0.70 4.55 3.86 -1.44 0.08 115.15 121.45 1xjm h HIS 580 Ca 0.08 0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.27 1xjm h HIS 580 Cb 0.86 0.36 -0.03 0.00 1.06 0.00 0.00 27.41 29.66 1xjm h HIS 580 CO 0.06 -0.35 0.22 1.25 0.86 0.00 0.00 177.93 179.97 1xjm h LEU 581 N -0.30 1.01 -0.48 2.43 5.85 -0.76 -1.46 115.31 121.59 1xjm h LEU 581 Ca 0.12 -0.18 -0.17 0.00 0.84 0.00 0.00 57.88 58.49 1xjm h LEU 581 Cb 0.50 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1xjm h LEU 581 CO -0.39 0.94 -0.73 -0.07 -0.34 0.00 0.00 178.44 177.85 1xjm h LEU 582 N 1.04 0.24 -0.68 2.25 3.38 -0.45 -0.96 115.31 120.12 1xjm h LEU 582 Ca 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xjm h LEU 582 Cb 0.29 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xjm h LEU 582 CO -0.01 0.89 0.35 -0.03 0.09 0.00 0.00 178.44 179.73 1xjm h MET 583 N 0.13 0.97 -0.72 1.13 4.05 -0.61 -1.32 114.93 118.56 1xjm h MET 583 Ca -0.02 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1xjm h MET 583 Cb 1.30 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.88 1xjm h MET 583 CO 0.11 0.75 0.48 0.37 0.23 0.00 0.00 176.91 178.85 1xjm h GLN 584 N 0.94 0.95 -0.51 0.39 4.15 -0.92 -2.31 115.11 117.80 1xjm h GLN 584 Ca 0.24 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1xjm h GLN 584 Cb 0.09 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1xjm h GLN 584 CO -0.03 0.63 0.28 0.22 -1.93 0.00 0.00 178.83 177.99 1xjm h ASP 585 N 0.98 0.63 -0.47 -0.69 1.82 -1.03 -0.45 116.42 117.21 1xjm h ASP 585 Ca 0.27 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1xjm h ASP 585 Cb -0.10 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 1xjm h ASP 585 CO -0.06 0.54 0.30 0.00 -1.61 0.00 0.00 179.24 178.40 1xjm h ALA 586 N 1.12 0.60 -0.43 -0.78 0.00 -0.92 -2.29 119.26 116.55 1xjm h ALA 586 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1xjm h ALA 586 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xjm h ALA 586 CO -0.03 0.07 0.16 0.74 0.00 0.00 0.00 179.25 180.18 1xjm h PHE 587 N 0.63 0.67 0.00 0.00 0.04 -1.33 -3.24 116.94 113.71 1xjm h PHE 587 Ca 0.17 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1xjm h PHE 587 Cb -0.04 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 37.91 1xjm h PHE 587 CO -0.04 0.60 -0.04 0.37 -0.60 0.00 0.00 178.31 178.60 1xjm h GLN 588 N 0.56 0.00 0.00 1.51 5.75 -0.58 -0.87 115.11 121.48 1xjm h GLN 588 Ca 0.14 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1xjm h GLN 588 Cb 0.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.77 1xjm h GLN 588 CO -0.01 0.04 0.00 0.00 -2.65 0.00 0.00 178.83 176.21 1xjm h ARG 589 N 0.00 0.00 0.00 1.69 3.08 -1.46 -3.02 114.38 114.68 1xjm h ARG 589 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1xjm h ARG 589 Cb 0.29 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.09 1xjm h ARG 589 CO 0.01 0.00 -0.83 0.66 -1.07 0.00 0.00 179.97 178.74 1xjm n TYR 590 N -2.36 0.00 -4.81 3.04 4.01 -0.34 -0.65 117.16 116.05 1xjm n TYR 590 Ca 0.01 -0.62 -0.28 0.00 -0.16 0.00 0.00 57.90 56.84 1xjm n TYR 590 Cb 0.18 -0.15 -0.17 0.00 -0.31 0.00 0.00 39.34 38.89 1xjm n TYR 590 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xjm s VAL 591 N -0.68 1.56 -0.02 -0.72 1.01 -1.14 -4.63 120.40 115.78 1xjm s VAL 591 Ca 0.30 -0.72 0.12 0.00 0.00 0.00 0.00 61.98 61.67 1xjm s VAL 591 Cb 0.33 -1.39 -0.14 0.00 0.00 0.00 0.00 36.38 35.18 1xjm s VAL 591 CO -0.12 0.45 1.11 -2.24 0.00 0.00 0.00 175.10 174.30 1xjm h ASP 592 N 6.95 0.00 0.00 3.32 -0.00 -1.73 -3.43 116.42 121.53 1xjm h ASP 592 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.77 1xjm h ASP 592 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 1xjm h ASP 592 CO 0.48 0.82 0.00 0.59 -0.00 0.00 0.00 179.24 181.13 1xjm n ASN 593 N -3.18 0.00 -1.13 4.15 3.02 -0.94 -4.91 115.26 112.27 1xjm n ASN 593 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1xjm n ASN 593 Cb 0.90 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1xjm n ASN 593 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xjm n ASN 594 N 0.00 1.36 -3.87 6.41 3.02 0.23 -4.96 115.26 117.45 1xjm n ASN 594 Ca 0.00 -0.56 -0.16 0.00 -0.03 0.00 0.00 54.58 53.83 1xjm n ASN 594 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1xjm n ASN 594 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xjm s ILE 595 N 0.38 0.19 -0.45 2.41 1.01 -1.26 -3.16 121.20 120.32 1xjm s ILE 595 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 1xjm s ILE 595 Cb 0.00 -0.23 0.03 0.00 0.01 0.00 0.00 42.46 42.26 1xjm s ILE 595 CO 0.00 0.10 0.82 -0.55 0.00 0.00 0.00 174.94 175.32 1xjm s SER 596 N 0.50 6.44 -0.09 3.58 0.15 -0.40 -4.64 113.70 119.23 1xjm s SER 596 Ca -0.05 -0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.52 1xjm s SER 596 Cb -0.08 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 61.88 1xjm s SER 596 CO -0.01 -0.95 0.18 -0.75 1.20 0.00 0.00 173.24 172.91 1xjm s LYS 597 N 3.41 0.07 -0.15 5.44 2.47 -1.26 -4.72 119.74 125.00 1xjm s LYS 597 Ca 0.32 0.55 -0.26 0.00 -1.56 0.00 0.00 55.97 55.02 1xjm s LYS 597 Cb -0.12 -0.21 -0.02 0.00 -1.46 0.00 0.00 37.83 36.03 1xjm s LYS 597 CO 0.24 -0.27 0.84 0.99 0.16 0.00 0.00 175.35 177.31 1xjm s THR 598 N 2.05 4.88 -0.98 3.43 2.01 -1.26 -4.07 115.64 121.69 1xjm s THR 598 Ca -0.00 1.66 -0.21 0.00 0.31 0.00 0.00 61.69 63.45 1xjm s THR 598 Cb -0.12 -4.15 0.09 0.00 0.01 0.00 0.00 72.50 68.33 1xjm s THR 598 CO -0.06 0.04 1.31 -0.63 -0.69 0.00 0.00 174.62 174.58 1xjm s ILE 599 N 2.04 4.29 0.18 1.82 -1.09 0.25 -4.93 121.20 123.77 1xjm s ILE 599 Ca 0.39 -1.15 -0.33 0.00 -2.23 0.00 0.00 60.65 57.34 1xjm s ILE 599 Cb -0.17 -4.93 -0.13 0.00 -1.58 0.00 0.00 42.46 35.65 1xjm s ILE 599 CO 0.13 -1.74 1.69 0.59 -1.23 0.00 0.00 174.94 174.38 1xjm n ASN 600 N 7.80 3.72 -4.24 3.58 4.13 -1.26 -1.04 115.26 127.95 1xjm n ASN 600 Ca 0.29 1.06 -0.24 0.00 1.68 0.00 0.00 54.58 57.37 1xjm n ASN 600 Cb 0.50 -1.52 -0.14 0.00 -1.54 0.00 0.00 39.78 37.08 1xjm n ASN 600 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1xjm s MET 601 N 1.24 1.24 0.83 3.52 -1.94 0.75 -4.13 119.30 120.82 1xjm s MET 601 Ca 0.77 -0.95 -0.11 0.00 -1.71 0.00 0.00 55.69 53.69 1xjm s MET 601 Cb -0.56 -1.36 0.10 0.00 2.01 0.00 0.00 34.83 35.01 1xjm s MET 601 CO 0.35 0.34 1.12 -1.25 -0.01 0.00 0.00 175.02 175.57 1xjm s PRO 602 N -1.33 1.68 0.42 2.03 0.04 -1.26 -0.87 135.00 135.71 1xjm s PRO 602 Ca 0.06 1.39 0.14 0.00 0.04 0.00 0.00 61.00 62.63 1xjm s PRO 602 Cb -0.09 -1.82 0.91 0.00 0.04 0.00 0.00 34.50 33.54 1xjm s PRO 602 CO 0.02 -2.11 1.93 0.37 0.04 0.00 0.00 177.00 177.26 1xjm h GLN 603 N -1.40 0.00 0.00 4.56 4.15 -1.93 -0.87 115.11 119.62 1xjm h GLN 603 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1xjm h GLN 603 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1xjm h GLN 603 CO 0.47 0.25 0.00 -1.13 -1.93 0.00 0.00 178.83 176.49 1xjm n SER 604 N -4.23 0.00 -4.77 -0.69 3.41 -1.26 -4.87 113.62 101.21 1xjm n SER 604 Ca -0.02 -1.55 -0.33 0.00 -0.26 0.00 0.00 58.87 56.71 1xjm n SER 604 Cb 0.30 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1xjm n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjm s ALA 605 N -2.00 2.46 0.38 7.33 0.00 -0.33 -5.05 121.76 124.54 1xjm s ALA 605 Ca 0.13 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.70 1xjm s ALA 605 Cb 0.06 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1xjm s ALA 605 CO 0.10 -1.30 0.08 0.95 0.00 0.00 0.00 175.76 175.59 1xjm s THR 606 N -2.36 2.43 0.37 0.00 -4.23 -1.26 -4.98 115.64 105.62 1xjm s THR 606 Ca 0.67 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1xjm s THR 606 Cb -0.20 -2.91 0.29 0.00 1.34 0.00 0.00 72.50 71.01 1xjm s THR 606 CO 0.42 -0.09 1.99 0.58 -0.54 0.00 0.00 174.62 176.98 1xjm h VAL 607 N 1.64 1.05 -0.39 2.29 2.07 -1.97 0.47 116.25 121.42 1xjm h VAL 607 Ca -0.43 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 66.74 1xjm h VAL 607 Cb 1.25 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1xjm h VAL 607 CO 0.70 0.13 -0.19 0.44 0.02 0.00 0.00 177.57 178.67 1xjm h ASP 608 N 0.71 0.74 -0.65 0.57 5.19 -1.96 -1.21 116.42 119.83 1xjm h ASP 608 Ca 0.27 -0.25 0.08 0.00 -0.62 0.00 0.00 57.03 56.51 1xjm h ASP 608 Cb 0.15 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 39.39 1xjm h ASP 608 CO -0.08 0.93 0.30 0.44 -3.12 0.00 0.00 179.24 177.71 1xjm h ASP 609 N 0.66 0.39 -0.08 6.45 3.32 -1.31 -1.10 116.42 124.74 1xjm h ASP 609 Ca 0.10 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1xjm h ASP 609 Cb 0.67 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1xjm h ASP 609 CO 0.05 0.23 -0.02 0.58 -1.72 0.00 0.00 179.24 178.37 1xjm h VAL 610 N 0.54 0.93 -0.83 -1.35 2.07 -1.02 -2.27 116.25 114.31 1xjm h VAL 610 Ca 0.32 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.84 1xjm h VAL 610 Cb 0.32 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1xjm h VAL 610 CO -0.26 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 177.81 1xjm h LEU 611 N 0.00 0.96 -0.98 2.57 3.38 -0.93 -1.74 115.31 118.58 1xjm h LEU 611 Ca 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xjm h LEU 611 Cb 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1xjm h LEU 611 CO -0.08 0.70 0.51 0.78 0.09 0.00 0.00 178.44 180.45 1xjm h ASN 612 N 1.13 1.09 -0.42 -0.43 2.35 -0.95 -0.24 115.58 118.11 1xjm h ASN 612 Ca 0.30 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1xjm h ASN 612 Cb -0.12 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 37.95 1xjm h ASN 612 CO -0.06 0.85 0.27 0.58 -1.65 0.00 0.00 177.43 177.42 1xjm h VAL 613 N 1.24 1.09 0.10 2.81 2.07 -0.76 -0.63 116.25 122.17 1xjm h VAL 613 Ca 0.32 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1xjm h VAL 613 Cb -0.01 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1xjm h VAL 613 CO -0.06 0.10 -0.09 1.88 0.02 0.00 0.00 177.57 179.42 1xjm h TYR 614 N 0.55 -0.24 -0.27 1.57 0.05 -0.83 0.53 116.97 118.33 1xjm h TYR 614 Ca 0.16 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.95 1xjm h TYR 614 Cb -0.05 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 1xjm h TYR 614 CO -0.05 -0.15 0.13 -0.07 -1.05 0.00 0.00 178.16 176.97 1xjm h LEU 615 N -0.21 0.20 -0.54 3.88 3.38 -0.98 -1.06 115.31 119.97 1xjm h LEU 615 Ca 0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1xjm h LEU 615 Cb 0.20 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1xjm h LEU 615 CO -0.02 0.15 0.26 -0.08 0.09 0.00 0.00 178.44 178.84 1xjm h GLU 616 N 0.28 0.48 -0.99 1.13 4.57 -0.98 -1.89 114.58 117.18 1xjm h GLU 616 Ca 0.11 -0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.45 1xjm h GLU 616 Cb 0.03 -0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 28.42 1xjm h GLU 616 CO -0.07 0.32 0.61 0.00 -1.18 0.00 0.00 179.01 178.69 1xjm h ALA 617 N 1.31 1.80 0.00 2.92 0.00 0.54 -1.01 119.26 124.82 1xjm h ALA 617 Ca 0.25 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1xjm h ALA 617 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xjm h ALA 617 CO -0.19 -0.15 -0.44 -0.07 0.00 0.00 0.00 179.25 178.41 1xjm h LEU 618 N 0.69 0.00 0.16 0.00 3.38 -0.41 -3.12 115.31 116.00 1xjm h LEU 618 Ca 0.55 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.23 1xjm h LEU 618 Cb 0.95 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1xjm h LEU 618 CO -0.33 0.44 -1.33 0.03 0.09 0.00 0.00 178.44 177.34 1xjm h ARG 619 N 0.00 0.33 0.00 1.13 3.08 -0.79 -3.44 114.38 114.68 1xjm h ARG 619 Ca -0.00 -0.57 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1xjm h ARG 619 Cb 1.04 0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1xjm h ARG 619 CO 0.06 1.26 0.00 0.25 -1.07 0.00 0.00 179.97 180.47 1xjm n THR 620 N -3.57 0.00 0.34 2.04 -2.24 -0.50 -5.01 114.28 105.34 1xjm n THR 620 Ca -0.11 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.78 1xjm n THR 620 Cb 1.05 -1.18 0.19 0.00 -2.10 0.00 0.00 70.33 68.29 1xjm n THR 620 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xjm n ASN 621 N -2.60 3.32 -4.60 3.42 3.02 -1.26 -4.99 115.26 111.57 1xjm n ASN 621 Ca 0.00 -1.96 -0.36 0.00 -0.03 0.00 0.00 54.58 52.22 1xjm n ASN 621 Cb 0.00 -0.21 0.07 0.00 -0.61 0.00 0.00 39.78 39.03 1xjm n ASN 621 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1xjm n VAL 622 N 1.38 3.08 0.35 2.41 0.24 -1.26 -4.85 118.33 119.68 1xjm n VAL 622 Ca 0.18 -0.43 0.04 0.00 -2.04 0.00 0.00 64.34 62.09 1xjm n VAL 622 Cb 0.58 -1.07 -0.00 0.00 -1.47 0.00 0.00 33.84 31.87 1xjm n VAL 622 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xjm n ARG 623 N -1.42 2.40 -3.71 7.34 1.74 -1.26 -4.94 116.66 116.81 1xjm n ARG 623 Ca 0.13 -0.49 -0.03 0.00 -0.77 0.00 0.00 57.85 56.69 1xjm n ARG 623 Cb 0.49 -1.00 -0.01 0.00 -1.02 0.00 0.00 32.46 30.91 1xjm n ARG 623 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xjm s GLY 624 N -1.20 -0.28 -0.05 -0.13 0.00 -1.26 -0.50 107.32 103.90 1xjm s GLY 624 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1xjm s GLY 624 CO 0.21 0.06 -0.02 -0.42 0.00 0.00 0.00 173.10 172.93 1xjm s ILE 625 N -3.13 0.40 -0.09 0.90 -1.09 0.72 -4.94 121.20 113.97 1xjm s ILE 625 Ca 0.12 -0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1xjm s ILE 625 Cb -0.00 -0.47 0.00 0.00 -1.58 0.00 0.00 42.46 40.41 1xjm s ILE 625 CO 0.00 0.21 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.83 1xjm s THR 626 N 1.17 1.78 0.07 2.92 2.01 -1.26 -1.10 115.64 121.23 1xjm s THR 626 Ca -0.07 -0.86 0.09 0.00 0.31 0.00 0.00 61.69 61.16 1xjm s THR 626 Cb -0.14 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1xjm s THR 626 CO -0.01 0.50 -0.23 0.68 -0.69 0.00 0.00 174.62 174.86 1xjm s VAL 627 N 0.45 2.45 -0.12 3.82 -7.23 -1.26 0.88 120.40 119.39 1xjm s VAL 627 Ca -0.17 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1xjm s VAL 627 Cb -0.17 -2.03 0.05 0.00 0.56 0.00 0.00 36.38 34.80 1xjm s VAL 627 CO 0.07 0.28 0.12 -0.47 -0.31 0.00 0.00 175.10 174.79 1xjm s TYR 628 N -0.93 0.01 -0.19 2.82 5.04 -0.21 -4.60 117.35 119.29 1xjm s TYR 628 Ca 0.14 0.11 -0.22 0.00 -2.44 0.00 0.00 57.07 54.66 1xjm s TYR 628 Cb -0.10 -0.50 -0.02 0.00 0.35 0.00 0.00 41.96 41.69 1xjm s TYR 628 CO 0.05 -0.39 0.68 0.50 -1.34 0.00 0.00 175.55 175.04 1xjm s ARG 629 N 2.21 4.23 0.25 4.97 3.52 -1.26 -0.17 118.95 132.69 1xjm s ARG 629 Ca 0.04 0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 56.04 1xjm s ARG 629 Cb -0.14 -3.58 -0.14 0.00 -1.56 0.00 0.00 34.95 29.53 1xjm s ARG 629 CO -0.07 -0.27 1.14 -3.47 -0.81 0.00 0.00 175.30 171.82 1xjm n ASP 630 N 5.12 1.66 0.00 -2.12 4.64 -0.05 -1.29 116.55 124.51 1xjm n ASP 630 Ca 0.00 1.16 0.00 0.00 -1.38 0.00 0.00 54.79 54.57 1xjm n ASP 630 Cb 0.49 -1.31 0.00 0.00 -1.04 0.00 0.00 41.12 39.27 1xjm n ASP 630 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xjm n GLY 631 N 1.57 2.57 0.00 0.27 0.00 -1.26 -3.96 105.19 104.38 1xjm n GLY 631 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1xjm n GLY 631 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76