#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jx2 h PRO 14 N 0.00 0.00 0.00 -0.67 0.11 -2.01 -2.67 132.00 126.76 1jx2 h PRO 14 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1jx2 h PRO 14 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1jx2 h PRO 14 CO 0.00 0.00 -0.18 0.97 -0.21 0.00 0.00 178.00 178.58 1jx2 h ILE 15 N 0.00 0.78 0.00 4.15 2.10 -1.99 -3.17 117.51 119.38 1jx2 h ILE 15 Ca 0.05 -0.72 -0.32 0.00 1.08 0.00 0.00 64.86 64.95 1jx2 h ILE 15 Cb 0.23 1.43 -0.06 0.00 -1.09 0.00 0.00 36.82 37.34 1jx2 h ILE 15 CO -0.00 0.18 -2.20 1.41 -1.08 0.00 0.00 178.15 176.45 1jx2 n HIS 16 N -3.81 0.00 -1.95 2.19 8.25 -1.04 -4.92 115.22 113.94 1jx2 n HIS 16 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 1jx2 n HIS 16 Cb 0.28 -0.86 -0.03 0.00 1.12 0.00 0.00 29.99 30.50 1jx2 n HIS 16 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jx2 s ASP 17 N -5.15 6.26 0.35 0.41 3.68 -1.04 -4.87 116.67 116.32 1jx2 s ASP 17 Ca -0.09 1.89 0.15 0.00 2.13 0.00 0.00 52.55 56.63 1jx2 s ASP 17 Cb 0.05 -2.53 0.66 0.00 -1.45 0.00 0.00 42.92 39.65 1jx2 s ASP 17 CO 0.72 -1.32 1.76 0.03 0.13 0.00 0.00 175.17 176.49 1jx2 h ARG 18 N 11.35 0.00 -0.80 4.34 2.47 -1.91 -2.82 114.38 127.00 1jx2 h ARG 18 Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1jx2 h ARG 18 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1jx2 h ARG 18 CO 0.98 0.43 0.00 0.25 0.56 0.00 0.00 179.97 182.19 1jx2 n THR 19 N -3.85 0.25 -3.99 2.04 -2.24 -1.26 -4.49 114.28 100.74 1jx2 n THR 19 Ca -0.01 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 1jx2 n THR 19 Cb 0.48 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1jx2 n THR 19 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jx2 s SER 20 N -0.25 5.99 0.46 3.42 1.04 -1.07 -4.98 113.70 118.31 1jx2 s SER 20 Ca 0.06 0.18 0.24 0.00 0.48 0.00 0.00 55.95 56.91 1jx2 s SER 20 Cb 0.04 -1.77 1.27 0.00 0.10 0.00 0.00 66.02 65.66 1jx2 s SER 20 CO 0.02 0.21 1.82 0.44 0.98 0.00 0.00 173.24 176.72 1jx2 h ASP 21 N 3.52 0.26 -0.57 7.02 3.45 -1.89 0.56 116.42 128.76 1jx2 h ASP 21 Ca -0.47 0.04 0.03 0.00 0.43 0.00 0.00 57.03 57.06 1jx2 h ASP 21 Cb 1.17 -0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.90 1jx2 h ASP 21 CO 0.69 0.07 0.34 0.22 -1.57 0.00 0.00 179.24 178.99 1jx2 h TYR 22 N 0.24 0.63 -0.01 4.55 5.03 -1.91 0.23 116.97 125.74 1jx2 h TYR 22 Ca 0.52 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.66 1jx2 h TYR 22 Cb 1.61 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.68 1jx2 h TYR 22 CO -0.00 0.35 -0.84 0.45 -1.32 0.00 0.00 178.16 176.80 1jx2 h HIS 23 N 0.67 0.32 -0.26 -3.82 3.86 -1.18 -0.95 115.15 113.79 1jx2 h HIS 23 Ca 0.23 -0.17 -0.14 0.00 -1.16 0.00 0.00 60.37 59.14 1jx2 h HIS 23 Cb 0.04 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1jx2 h HIS 23 CO -0.06 0.96 -0.37 -0.22 0.86 0.00 0.00 177.93 179.10 1jx2 h LYS 24 N 0.13 0.72 0.00 2.45 3.11 -0.59 -2.90 116.57 119.49 1jx2 h LYS 24 Ca -0.04 -0.42 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1jx2 h LYS 24 Cb 1.45 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.71 1jx2 h LYS 24 CO 0.13 1.04 -1.46 0.66 -2.81 0.00 0.00 179.45 177.00 1jx2 n TYR 25 N -4.21 0.00 -0.02 1.91 4.01 0.76 -4.62 117.16 114.99 1jx2 n TYR 25 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1jx2 n TYR 25 Cb 0.52 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1jx2 n TYR 25 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1jx2 n LEU 26 N -1.86 0.26 -4.49 7.72 4.77 -0.37 -4.74 117.00 118.29 1jx2 n LEU 26 Ca -0.00 -0.59 -0.32 0.00 -0.03 0.00 0.00 56.01 55.06 1jx2 n LEU 26 Cb 0.43 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 1jx2 n LEU 26 CO 0.42 0.07 -0.45 -0.54 -1.33 0.00 0.00 177.39 175.55 1jx2 s LYS 27 N -0.66 2.46 0.33 3.23 -0.14 -1.09 -4.81 119.74 119.05 1jx2 s LYS 27 Ca 0.00 -0.73 -0.29 0.00 -1.36 0.00 0.00 55.97 53.59 1jx2 s LYS 27 Cb 0.00 -2.37 -0.10 0.00 -1.68 0.00 0.00 37.83 33.68 1jx2 s LYS 27 CO 0.00 0.61 1.34 0.08 -0.76 0.00 0.00 175.35 176.63 1jx2 s VAL 28 N -0.78 2.62 0.27 3.17 1.01 -1.26 -4.75 120.40 120.68 1jx2 s VAL 28 Ca 0.12 0.61 -0.31 0.00 0.00 0.00 0.00 61.98 62.41 1jx2 s VAL 28 Cb -0.11 -3.39 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 1jx2 s VAL 28 CO 0.02 0.14 1.60 2.29 0.00 0.00 0.00 175.10 179.15 1jx2 n LYS 29 N 0.91 2.63 0.00 2.72 0.00 -1.26 -5.11 118.16 118.05 1jx2 n LYS 29 Ca 0.01 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.26 1jx2 n LYS 29 Cb 0.41 -2.72 0.00 0.00 -0.00 0.00 0.00 35.03 32.72 1jx2 n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jx2 n GLN 30 N 2.51 0.00 0.00 -1.58 -0.00 -1.26 -5.19 117.38 111.86 1jx2 n GLN 30 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 1jx2 n GLN 30 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.60 1jx2 n GLN 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1jx2 n PHE 36 N 0.00 0.00 0.09 2.61 7.35 -1.26 -5.25 117.46 121.00 1jx2 n PHE 36 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1jx2 n PHE 36 Cb 0.00 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.75 1jx2 n PHE 36 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1jx2 h LYS 37 N 0.00 -0.21 0.00 -4.13 1.63 -2.01 -2.90 116.57 108.95 1jx2 h LYS 37 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1jx2 h LYS 37 Cb 0.00 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1jx2 h LYS 37 CO 0.00 0.06 0.00 1.25 -3.45 0.00 0.00 179.45 177.31 1jx2 h LEU 38 N -0.47 0.00 0.74 5.20 6.46 -2.03 -2.84 115.31 122.37 1jx2 h LEU 38 Ca -0.02 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1jx2 h LEU 38 Cb 0.37 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1jx2 h LEU 38 CO 0.04 0.00 -0.36 0.74 -0.62 0.00 0.00 178.44 178.24 1jx2 h THR 39 N 0.00 0.22 0.00 1.05 2.02 -1.94 -3.12 112.91 111.14 1jx2 h THR 39 Ca 0.00 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1jx2 h THR 39 Cb 0.65 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1jx2 h THR 39 CO 0.00 0.01 -0.28 -0.37 0.37 0.00 0.00 175.52 175.25 1jx2 h VAL 40 N -1.08 0.58 -4.04 3.16 -1.51 -1.56 -3.26 116.25 108.54 1jx2 h VAL 40 Ca -0.10 -1.40 -0.50 0.00 -1.23 0.00 0.00 66.70 63.47 1jx2 h VAL 40 Cb 0.78 1.96 0.06 0.00 -2.13 0.00 0.00 31.29 31.97 1jx2 h VAL 40 CO 0.17 0.27 0.45 -0.55 -1.23 0.00 0.00 177.57 176.68 1jx2 s SER 41 N -6.26 6.01 -0.07 4.19 0.15 -1.07 -4.75 113.70 111.90 1jx2 s SER 41 Ca 0.02 2.21 0.10 0.00 0.70 0.00 0.00 55.95 58.98 1jx2 s SER 41 Cb 0.09 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.96 1jx2 s SER 41 CO 0.67 -1.02 1.06 -0.90 1.20 0.00 0.00 173.24 174.25 1jx2 n ASP 42 N -0.86 2.03 -4.77 5.45 3.85 -1.26 -4.76 116.55 116.24 1jx2 n ASP 42 Ca 0.09 -2.53 -0.39 0.00 -0.71 0.00 0.00 54.79 51.25 1jx2 n ASP 42 Cb 0.50 -0.23 -0.02 0.00 -1.35 0.00 0.00 41.12 40.02 1jx2 n ASP 42 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1jx2 s LYS 43 N -1.90 4.16 0.04 0.11 1.02 -1.26 -5.05 119.74 116.86 1jx2 s LYS 43 Ca 0.17 1.96 0.08 0.00 0.02 0.00 0.00 55.97 58.19 1jx2 s LYS 43 Cb 0.15 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.61 1jx2 s LYS 43 CO 0.02 -0.27 -0.22 1.03 -0.92 0.00 0.00 175.35 174.99 1jx2 s ARG 44 N -2.10 1.49 0.19 1.68 1.81 -1.26 -5.04 118.95 115.72 1jx2 s ARG 44 Ca 0.54 -0.95 0.06 0.00 -1.72 0.00 0.00 55.73 53.67 1jx2 s ARG 44 Cb -0.34 -1.60 -0.05 0.00 -0.45 0.00 0.00 34.95 32.52 1jx2 s ARG 44 CO 0.43 0.41 -0.11 0.71 -0.68 0.00 0.00 175.30 176.06 1jx2 s TYR 45 N -0.77 1.58 -0.01 -0.53 2.02 -1.26 0.45 117.35 118.83 1jx2 s TYR 45 Ca 0.08 -0.67 -0.09 0.00 -0.37 0.00 0.00 57.07 56.02 1jx2 s TYR 45 Cb -0.09 -0.78 0.01 0.00 -0.40 0.00 0.00 41.96 40.70 1jx2 s TYR 45 CO 0.02 0.24 0.19 -1.50 -1.57 0.00 0.00 175.55 172.92 1jx2 s ILE 46 N -3.12 0.07 0.02 2.71 2.07 0.17 -2.29 121.20 120.82 1jx2 s ILE 46 Ca 0.22 -0.56 -0.20 0.00 -1.41 0.00 0.00 60.65 58.69 1jx2 s ILE 46 Cb 0.01 -0.46 -0.06 0.00 0.13 0.00 0.00 42.46 42.08 1jx2 s ILE 46 CO 0.05 -0.31 0.58 0.26 -1.91 0.00 0.00 174.94 173.62 1jx2 s TRP 47 N -1.20 3.72 0.06 3.50 0.52 0.12 -0.60 118.94 125.05 1jx2 s TRP 47 Ca -0.13 1.21 -0.16 0.00 0.02 0.00 0.00 56.10 57.04 1jx2 s TRP 47 Cb -0.06 -2.57 0.03 0.00 -1.15 0.00 0.00 33.47 29.72 1jx2 s TRP 47 CO 0.02 0.43 0.38 1.52 0.02 0.00 0.00 176.95 179.32 1jx2 s TYR 48 N -0.48 -0.20 -0.31 -1.98 -0.85 -0.51 -4.24 117.35 108.77 1jx2 s TYR 48 Ca 0.30 0.07 -0.09 0.00 -0.52 0.00 0.00 57.07 56.84 1jx2 s TYR 48 Cb -0.19 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.35 1jx2 s TYR 48 CO 0.18 -0.58 0.14 0.54 -1.52 0.00 0.00 175.55 174.30 1jx2 s ASN 49 N -2.21 5.44 0.59 -0.18 2.20 -1.26 0.80 114.94 120.33 1jx2 s ASN 49 Ca -0.03 -0.65 0.29 0.00 -0.94 0.00 0.00 52.86 51.52 1jx2 s ASN 49 Cb -0.00 -1.97 1.47 0.00 -2.00 0.00 0.00 41.25 38.75 1jx2 s ASN 49 CO -0.05 -0.22 1.88 1.55 -2.94 0.00 0.00 177.10 177.32 1jx2 h PRO 50 N 8.32 0.00 -4.86 3.55 0.13 -1.91 -3.32 132.00 133.92 1jx2 h PRO 50 Ca -0.31 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.15 1jx2 h PRO 50 Cb 1.13 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.92 1jx2 h PRO 50 CO 0.62 0.00 -0.76 0.34 -0.23 0.00 0.00 178.00 177.96 1jx2 s ASP 51 N -5.15 4.46 0.61 1.44 3.68 -1.26 -4.99 116.67 115.45 1jx2 s ASP 51 Ca -0.04 -1.20 0.33 0.00 2.13 0.00 0.00 52.55 53.76 1jx2 s ASP 51 Cb 0.15 -1.62 1.91 0.00 -1.45 0.00 0.00 42.92 41.91 1jx2 s ASP 51 CO 0.54 -0.18 2.23 1.55 0.13 0.00 0.00 175.17 179.44 1jx2 h PRO 52 N 7.90 0.00 0.00 4.34 0.13 -1.98 -0.36 132.00 142.03 1jx2 h PRO 52 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1jx2 h PRO 52 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1jx2 h PRO 52 CO 0.52 0.00 -0.38 1.63 -0.23 0.00 0.00 178.00 179.53 1jx2 n LYS 53 N -3.64 0.17 -3.25 0.86 5.02 -1.26 -4.23 118.16 111.84 1jx2 n LYS 53 Ca -0.02 0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 55.99 1jx2 n LYS 53 Cb 0.15 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 1jx2 n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jx2 n GLU 54 N -1.89 3.47 0.19 1.97 -0.58 -0.14 -4.88 120.64 118.77 1jx2 n GLU 54 Ca 0.05 -4.60 0.18 0.00 -0.42 0.00 0.00 57.16 52.37 1jx2 n GLU 54 Cb 0.40 -2.39 0.82 0.00 -0.57 0.00 0.00 31.44 29.69 1jx2 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jx2 h ARG 55 N 4.95 0.00 0.00 3.49 2.47 -1.74 -2.14 114.38 121.41 1jx2 h ARG 55 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1jx2 h ARG 55 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1jx2 h ARG 55 CO 1.08 0.00 -0.29 -0.44 0.56 0.00 0.00 179.97 180.88 1jx2 h ASP 56 N 0.00 0.00 -3.66 7.04 5.19 -1.92 -3.44 116.42 119.63 1jx2 h ASP 56 Ca 0.11 -0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.88 1jx2 h ASP 56 Cb 0.63 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.99 1jx2 h ASP 56 CO -0.00 0.00 -0.16 -0.44 -3.12 0.00 0.00 179.24 175.52 1jx2 s SER 57 N -5.93 6.28 0.16 6.45 0.01 -0.81 -4.71 113.70 115.15 1jx2 s SER 57 Ca 0.05 0.13 0.10 0.00 1.31 0.00 0.00 55.95 57.53 1jx2 s SER 57 Cb 0.06 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 1jx2 s SER 57 CO 0.70 -0.31 -0.18 -0.31 0.41 0.00 0.00 173.24 173.55 1jx2 s TYR 58 N 2.19 2.47 0.10 2.43 2.02 -1.26 -4.13 117.35 121.17 1jx2 s TYR 58 Ca 0.16 -0.29 0.04 0.00 -0.37 0.00 0.00 57.07 56.61 1jx2 s TYR 58 Cb -0.16 -1.26 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 1jx2 s TYR 58 CO 0.11 0.45 -0.10 -1.21 -1.57 0.00 0.00 175.55 173.23 1jx2 s GLU 59 N -2.47 0.87 -0.21 -0.62 0.41 0.24 -4.93 118.70 111.99 1jx2 s GLU 59 Ca 0.20 -1.22 -0.15 0.00 -0.41 0.00 0.00 54.97 53.39 1jx2 s GLU 59 Cb -0.09 -0.50 -0.04 0.00 -1.78 0.00 0.00 34.13 31.72 1jx2 s GLU 59 CO 0.11 0.07 0.36 0.00 -0.49 0.00 0.00 175.26 175.30 1jx2 s GLY 61 N 1.04 1.27 -0.03 0.00 0.00 0.23 -4.45 107.32 105.38 1jx2 s GLY 61 Ca 0.17 -1.16 -0.20 0.00 0.00 0.00 0.00 44.72 43.53 1jx2 s GLY 61 CO 0.07 -1.05 0.57 1.85 0.00 0.00 0.00 173.10 174.54 1jx2 s GLU 62 N -1.12 4.31 0.19 2.90 2.12 -1.16 0.43 118.70 126.36 1jx2 s GLU 62 Ca 0.10 0.67 -0.30 0.00 0.36 0.00 0.00 54.97 55.80 1jx2 s GLU 62 Cb -0.09 -3.36 -0.08 0.00 0.26 0.00 0.00 34.13 30.86 1jx2 s GLU 62 CO 0.02 0.32 1.08 0.42 -0.54 0.00 0.00 175.26 176.56 1jx2 s ILE 63 N -0.01 3.88 -0.03 -3.70 -1.09 0.17 -0.93 121.20 119.49 1jx2 s ILE 63 Ca 0.30 1.67 0.05 0.00 -2.23 0.00 0.00 60.65 60.44 1jx2 s ILE 63 Cb -0.17 -4.06 -0.07 0.00 -1.58 0.00 0.00 42.46 36.57 1jx2 s ILE 63 CO 0.16 0.31 0.06 1.33 -1.23 0.00 0.00 174.94 175.57 1jx2 n VAL 64 N 2.18 0.18 -3.49 2.92 0.24 0.23 -4.52 118.33 116.07 1jx2 n VAL 64 Ca 0.02 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1jx2 n VAL 64 Cb 0.46 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 1jx2 n VAL 64 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jx2 s SER 65 N -3.14 -0.48 -0.04 -1.34 1.04 -1.12 -5.03 113.70 103.60 1jx2 s SER 65 Ca -0.02 0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.52 1jx2 s SER 65 Cb 0.02 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1jx2 s SER 65 CO 0.20 -0.69 0.15 -1.83 0.98 0.00 0.00 173.24 172.05 1jx2 s GLU 66 N -2.75 0.28 0.00 4.02 -1.05 -1.26 -0.64 118.70 117.30 1jx2 s GLU 66 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.85 1jx2 s GLU 66 Cb -0.01 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1jx2 s GLU 66 CO -0.06 -0.05 0.00 0.25 0.95 0.00 0.00 175.26 176.35 1jx2 n THR 67 N 2.52 0.00 0.09 1.83 -2.24 -0.62 -5.00 114.28 110.86 1jx2 n THR 67 Ca -0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1jx2 n THR 67 Cb 0.58 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 1jx2 n THR 67 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1jx2 h SER 68 N 0.00 -0.15 -0.79 3.42 0.87 -2.04 -3.37 113.55 111.48 1jx2 h SER 68 Ca 0.00 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 60.24 1jx2 h SER 68 Cb 0.00 0.05 -0.35 0.00 -0.44 0.00 0.00 62.40 61.65 1jx2 h SER 68 CO 0.00 -0.10 -1.04 -0.90 -0.53 0.00 0.00 176.83 174.26 1jx2 n ASP 69 N -5.17 0.82 -3.49 6.23 3.85 -1.26 -5.06 116.55 112.47 1jx2 n ASP 69 Ca -0.08 -2.64 -0.16 0.00 -0.71 0.00 0.00 54.79 51.21 1jx2 n ASP 69 Cb 0.10 -0.24 -0.05 0.00 -1.35 0.00 0.00 41.12 39.58 1jx2 n ASP 69 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1jx2 s SER 70 N -2.79 -0.61 0.27 -1.12 0.01 -1.26 -3.13 113.70 105.08 1jx2 s SER 70 Ca 0.26 0.47 0.11 0.00 1.31 0.00 0.00 55.95 58.10 1jx2 s SER 70 Cb 0.44 0.54 -0.05 0.00 0.21 0.00 0.00 66.02 67.17 1jx2 s SER 70 CO 0.01 -0.70 -0.13 -0.36 0.41 0.00 0.00 173.24 172.48 1jx2 s PHE 71 N -1.99 2.45 -0.04 2.43 2.99 0.93 -1.58 117.98 123.17 1jx2 s PHE 71 Ca -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 56.93 56.57 1jx2 s PHE 71 Cb -0.00 -1.07 0.03 0.00 0.00 0.00 0.00 43.02 41.97 1jx2 s PHE 71 CO 0.02 0.68 0.02 0.99 -0.00 0.00 0.00 175.22 176.93 1jx2 s THR 72 N -2.43 0.15 0.10 0.64 2.01 0.19 -1.87 115.64 114.43 1jx2 s THR 72 Ca 0.30 0.19 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 1jx2 s THR 72 Cb -0.06 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1jx2 s THR 72 CO 0.17 0.18 -0.00 0.72 -0.69 0.00 0.00 174.62 174.99 1jx2 s PHE 73 N 1.54 0.80 -0.26 4.92 -0.12 0.47 0.78 117.98 126.12 1jx2 s PHE 73 Ca -0.02 -1.09 -0.10 0.00 -0.05 0.00 0.00 56.93 55.67 1jx2 s PHE 73 Cb -0.13 -0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 41.73 1jx2 s PHE 73 CO -0.03 -0.36 0.15 0.21 -0.05 0.00 0.00 175.22 175.14 1jx2 s LYS 74 N -3.95 3.94 0.43 1.99 2.20 -0.11 -0.07 119.74 124.18 1jx2 s LYS 74 Ca 0.16 -0.33 -0.22 0.00 -0.36 0.00 0.00 55.97 55.22 1jx2 s LYS 74 Cb 0.07 -3.53 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 1jx2 s LYS 74 CO -0.03 -0.08 0.98 0.95 -0.36 0.00 0.00 175.35 176.81 1jx2 s THR 75 N 1.42 4.19 0.44 3.43 -4.23 -1.00 -3.00 115.64 116.88 1jx2 s THR 75 Ca 0.07 1.42 0.19 0.00 -1.18 0.00 0.00 61.69 62.19 1jx2 s THR 75 Cb -0.15 -3.61 0.38 0.00 1.34 0.00 0.00 72.50 70.46 1jx2 s THR 75 CO 0.07 -0.23 1.88 -0.37 -0.54 0.00 0.00 174.62 175.43 1jx2 h VAL 76 N 1.92 0.70 0.00 2.29 -1.51 -1.92 0.61 116.25 118.34 1jx2 h VAL 76 Ca -0.49 -0.12 -0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1jx2 h VAL 76 Cb 1.19 0.31 -0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1jx2 h VAL 76 CO 0.61 0.06 -0.01 -0.78 -1.23 0.00 0.00 177.57 176.23 1jx2 h ASP 77 N 0.36 0.00 -1.40 4.19 1.82 -1.97 -3.46 116.42 115.96 1jx2 h ASP 77 Ca 0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.07 1jx2 h ASP 77 Cb 1.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1jx2 h ASP 77 CO -0.14 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.11 1jx2 n GLY 78 N -0.97 -0.37 0.00 -0.78 0.00 0.21 -5.13 105.19 98.15 1jx2 n GLY 78 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1jx2 n GLY 78 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jx2 n GLN 79 N -0.17 0.00 -1.92 1.61 7.27 -1.24 -4.94 117.38 117.98 1jx2 n GLN 79 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 1jx2 n GLN 79 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 1jx2 n GLN 79 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1jx2 s ASP 80 N 0.00 6.54 0.04 1.69 -0.00 -1.26 -2.39 116.67 121.29 1jx2 s ASP 80 Ca 0.00 2.81 0.02 0.00 -0.00 0.00 0.00 52.55 55.39 1jx2 s ASP 80 Cb 0.00 -2.64 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 1jx2 s ASP 80 CO 0.00 -0.77 -0.08 -0.60 -0.00 0.00 0.00 175.17 173.72 1jx2 s ARG 81 N -0.84 0.55 0.00 8.23 3.52 0.91 -4.95 118.95 126.36 1jx2 s ARG 81 Ca 0.58 -0.72 0.06 0.00 -0.13 0.00 0.00 55.73 55.52 1jx2 s ARG 81 Cb -0.44 -0.35 -0.02 0.00 -1.56 0.00 0.00 34.95 32.58 1jx2 s ARG 81 CO 0.49 0.07 -0.18 1.14 -0.81 0.00 0.00 175.30 176.00 1jx2 s GLN 82 N -1.46 1.41 0.01 5.12 -2.07 -1.26 -0.39 119.66 121.02 1jx2 s GLN 82 Ca -0.08 -0.73 -0.06 0.00 -1.82 0.00 0.00 55.36 52.67 1jx2 s GLN 82 Cb -0.09 -1.40 -0.00 0.00 -1.09 0.00 0.00 33.01 30.42 1jx2 s GLN 82 CO 0.00 0.38 0.11 0.54 -1.32 0.00 0.00 175.29 175.00 1jx2 s VAL 83 N -0.55 0.09 0.62 3.63 0.11 -0.78 -4.98 120.40 118.55 1jx2 s VAL 83 Ca 0.07 -0.78 -0.18 0.00 -2.93 0.00 0.00 61.98 58.16 1jx2 s VAL 83 Cb -0.07 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1jx2 s VAL 83 CO 0.00 -0.43 1.22 -0.54 -3.33 0.00 0.00 175.10 172.02 1jx2 s LYS 84 N -1.58 2.78 0.06 1.54 -0.14 -1.26 -0.05 119.74 121.09 1jx2 s LYS 84 Ca -0.14 1.84 0.17 0.00 -1.36 0.00 0.00 55.97 56.48 1jx2 s LYS 84 Cb -0.07 -1.90 0.72 0.00 -1.68 0.00 0.00 37.83 34.90 1jx2 s LYS 84 CO 0.00 -1.36 1.54 1.63 -0.76 0.00 0.00 175.35 176.40 1jx2 n LYS 85 N -1.83 0.04 0.07 1.68 5.02 -1.18 -1.92 118.16 120.04 1jx2 n LYS 85 Ca 0.14 0.28 -0.20 0.00 -2.02 0.00 0.00 58.31 56.51 1jx2 n LYS 85 Cb 0.50 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.78 1jx2 n LYS 85 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1jx2 h ASP 86 N 0.00 0.51 -0.03 4.39 3.45 -1.90 -3.32 116.42 119.52 1jx2 h ASP 86 Ca 0.00 -0.72 0.00 0.00 0.43 0.00 0.00 57.03 56.74 1jx2 h ASP 86 Cb 0.29 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1jx2 h ASP 86 CO 0.00 1.60 0.00 0.47 -1.57 0.00 0.00 179.24 179.74 1jx2 n ASP 87 N -3.52 2.25 -4.74 6.45 9.92 -1.11 -4.95 116.55 120.84 1jx2 n ASP 87 Ca -0.20 -1.75 -0.41 0.00 -0.53 0.00 0.00 54.79 51.90 1jx2 n ASP 87 Cb 1.06 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.51 1jx2 n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jx2 s ALA 88 N -1.99 3.52 -0.82 2.24 0.00 -0.81 -4.96 121.76 118.93 1jx2 s ALA 88 Ca 0.33 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.44 1jx2 s ALA 88 Cb 0.20 -3.48 0.26 0.00 0.00 0.00 0.00 23.12 20.11 1jx2 s ALA 88 CO 0.32 -0.54 0.96 0.09 0.00 0.00 0.00 175.76 176.59 1jx2 n ASN 89 N 2.25 4.61 -4.64 0.00 3.02 -1.26 -5.04 115.26 114.20 1jx2 n ASN 89 Ca 0.05 -3.38 -0.39 0.00 -0.03 0.00 0.00 54.58 50.83 1jx2 n ASN 89 Cb 0.43 -0.92 0.03 0.00 -0.61 0.00 0.00 39.78 38.71 1jx2 n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jx2 n GLN 90 N 1.27 1.27 -3.91 3.52 6.02 -1.26 -0.71 117.38 123.58 1jx2 n GLN 90 Ca 0.27 0.47 -0.37 0.00 -0.01 0.00 0.00 57.00 57.36 1jx2 n GLN 90 Cb 0.38 -2.20 -0.06 0.00 1.02 0.00 0.00 30.24 29.38 1jx2 n GLN 90 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1jx2 s ARG 91 N -2.45 3.41 0.47 -1.09 3.52 -0.97 -4.72 118.95 117.12 1jx2 s ARG 91 Ca 0.69 -0.16 -0.20 0.00 -0.13 0.00 0.00 55.73 55.92 1jx2 s ARG 91 Cb -0.47 -3.16 -0.09 0.00 -1.56 0.00 0.00 34.95 29.67 1jx2 s ARG 91 CO 0.52 0.77 1.01 -0.80 -0.81 0.00 0.00 175.30 175.98 1jx2 s ASN 92 N -1.11 6.54 0.22 -2.12 0.01 -1.26 -4.69 114.94 112.54 1jx2 s ASN 92 Ca 0.16 1.84 -0.31 0.00 -0.71 0.00 0.00 52.86 53.84 1jx2 s ASN 92 Cb -0.12 -2.55 -0.14 0.00 0.41 0.00 0.00 41.25 38.85 1jx2 s ASN 92 CO 0.05 -0.64 1.32 -2.65 -1.51 0.00 0.00 177.10 173.67 1jx2 n PRO 93 N -0.87 1.76 0.28 -0.60 -0.02 -1.26 -4.78 135.00 129.51 1jx2 n PRO 93 Ca 0.08 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 1jx2 n PRO 93 Cb 0.53 -2.23 0.41 0.00 -0.02 0.00 0.00 33.50 32.19 1jx2 n PRO 93 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jx2 h ILE 94 N 2.89 0.00 0.00 4.25 1.08 -2.00 0.24 117.51 123.97 1jx2 h ILE 94 Ca -0.44 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 1jx2 h ILE 94 Cb 1.30 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 1jx2 h ILE 94 CO 0.73 0.00 -0.31 0.07 -0.69 0.00 0.00 178.15 177.95 1jx2 h LYS 95 N 0.00 0.00 -0.54 2.37 2.10 -2.04 -2.62 116.57 115.85 1jx2 h LYS 95 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jx2 h LYS 95 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1jx2 h LYS 95 CO 0.00 0.31 0.00 1.19 -2.00 0.00 0.00 179.45 178.95 1jx2 n PHE 96 N -3.93 0.78 -2.50 0.07 3.01 0.83 -4.85 117.46 110.86 1jx2 n PHE 96 Ca -0.02 -0.33 -0.42 0.00 1.01 0.00 0.00 57.45 57.70 1jx2 n PHE 96 Cb 0.38 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 1jx2 n PHE 96 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1jx2 s ASP 97 N -0.82 6.23 0.00 4.37 -0.00 -0.99 -2.88 116.67 122.59 1jx2 s ASP 97 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 52.55 52.85 1jx2 s ASP 97 Cb 0.18 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.55 1jx2 s ASP 97 CO 0.16 -1.68 0.00 0.61 -0.00 0.00 0.00 175.17 174.26 1jx2 n GLY 98 N 5.23 1.43 3.65 0.21 0.00 -1.26 -4.97 105.19 109.48 1jx2 n GLY 98 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1jx2 n GLY 98 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jx2 n VAL 99 N -0.68 2.94 -0.13 1.61 0.24 -1.14 -4.89 118.33 116.27 1jx2 n VAL 99 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 1jx2 n VAL 99 Cb 0.00 -1.31 -0.02 0.00 -1.47 0.00 0.00 33.84 31.05 1jx2 n VAL 99 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1jx2 h GLU 100 N 1.38 0.91 -4.75 7.34 4.39 -1.95 -3.41 114.58 118.49 1jx2 h GLU 100 Ca -0.47 -0.43 -0.63 0.00 0.34 0.00 0.00 59.36 58.17 1jx2 h GLU 100 Cb 1.33 -0.01 -0.36 0.00 -0.10 0.00 0.00 28.75 29.61 1jx2 h GLU 100 CO 0.56 1.08 -0.83 0.34 -1.16 0.00 0.00 179.01 179.00 1jx2 s ASP 101 N -6.69 3.17 0.00 1.42 3.68 -1.26 -1.44 116.67 115.54 1jx2 s ASP 101 Ca -0.12 -0.73 0.22 0.00 2.13 0.00 0.00 52.55 54.06 1jx2 s ASP 101 Cb 0.11 -1.30 1.00 0.00 -1.45 0.00 0.00 42.92 41.28 1jx2 s ASP 101 CO 0.86 -0.08 1.72 0.23 0.13 0.00 0.00 175.17 178.03 1jx2 n MET 102 N 4.68 0.09 0.31 4.34 2.81 -0.23 -3.32 117.12 125.80 1jx2 n MET 102 Ca -0.17 0.11 0.20 0.00 -1.81 0.00 0.00 57.70 56.02 1jx2 n MET 102 Cb 0.48 -1.50 1.01 0.00 -0.71 0.00 0.00 33.22 32.51 1jx2 n MET 102 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1jx2 h SER 103 N 0.00 0.00 -0.81 7.83 0.87 -1.91 -2.77 113.55 116.77 1jx2 h SER 103 Ca 0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 1jx2 h SER 103 Cb 0.34 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.09 1jx2 h SER 103 CO 0.00 0.02 0.63 -1.84 -0.53 0.00 0.00 176.83 175.11 1jx2 n GLU 104 N -3.22 2.25 -4.74 2.24 0.28 -1.21 -4.92 120.64 111.32 1jx2 n GLU 104 Ca -0.02 -2.40 -0.32 0.00 -0.16 0.00 0.00 57.16 54.25 1jx2 n GLU 104 Cb 0.15 -1.96 -0.12 0.00 1.43 0.00 0.00 31.44 30.94 1jx2 n GLU 104 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1jx2 s LEU 105 N -2.75 2.80 0.28 -1.84 1.43 -1.05 -5.01 118.68 112.54 1jx2 s LEU 105 Ca 0.48 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1jx2 s LEU 105 Cb 0.37 -1.60 0.40 0.00 0.03 0.00 0.00 46.19 45.39 1jx2 s LEU 105 CO -0.05 0.31 1.71 0.28 0.23 0.00 0.00 176.35 178.83 1jx2 h SER 106 N 4.97 0.46 -3.27 2.29 0.02 -1.91 -3.41 113.55 112.70 1jx2 h SER 106 Ca -0.47 -0.16 -0.63 0.00 -0.84 0.00 0.00 61.79 59.68 1jx2 h SER 106 Cb 1.16 -0.13 -0.34 0.00 0.14 0.00 0.00 62.40 63.23 1jx2 h SER 106 CO 0.50 0.73 -0.85 -0.31 -1.14 0.00 0.00 176.83 175.76 1jx2 s TYR 107 N -4.42 2.30 -0.33 3.45 1.51 -1.26 -4.82 117.35 113.78 1jx2 s TYR 107 Ca -0.07 -1.08 0.06 0.00 -1.01 0.00 0.00 57.07 54.98 1jx2 s TYR 107 Cb 0.14 -1.59 0.46 0.00 -0.11 0.00 0.00 41.96 40.85 1jx2 s TYR 107 CO 0.79 -0.50 1.26 1.28 -1.11 0.00 0.00 175.55 177.27 1jx2 n LEU 108 N 4.01 5.18 -4.82 -1.29 4.77 -1.26 -4.77 117.00 118.81 1jx2 n LEU 108 Ca -0.20 -4.72 -0.30 0.00 -0.03 0.00 0.00 56.01 50.76 1jx2 n LEU 108 Cb 0.52 -0.40 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1jx2 n LEU 108 CO 0.26 2.06 0.72 0.54 -1.33 0.00 0.00 177.39 179.63 1jx2 s ASN 109 N -3.44 4.82 0.13 -1.43 2.20 -1.26 -4.73 114.94 111.24 1jx2 s ASN 109 Ca 0.52 1.34 -0.33 0.00 -0.94 0.00 0.00 52.86 53.45 1jx2 s ASN 109 Cb 0.42 -2.11 -0.11 0.00 -2.00 0.00 0.00 41.25 37.45 1jx2 s ASN 109 CO 0.03 -1.76 1.55 -0.33 -2.94 0.00 0.00 177.10 173.65 1jx2 h GLU 110 N -0.94 -0.41 -0.73 3.55 5.08 -1.99 0.25 114.58 119.39 1jx2 h GLU 110 Ca -0.46 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1jx2 h GLU 110 Cb 1.25 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1jx2 h GLU 110 CO 0.60 -0.27 0.48 -1.00 -1.00 0.00 0.00 179.01 177.81 1jx2 h PRO 111 N -0.42 0.73 -0.09 2.33 0.13 -1.95 -1.06 132.00 131.65 1jx2 h PRO 111 Ca 0.07 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1jx2 h PRO 111 Cb 0.61 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 1jx2 h PRO 111 CO -0.57 0.48 0.02 0.00 -0.23 0.00 0.00 178.00 177.70 1jx2 h ALA 112 N 1.61 0.12 0.18 -0.56 0.00 -1.59 0.58 119.26 119.60 1jx2 h ALA 112 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jx2 h ALA 112 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jx2 h ALA 112 CO -0.11 -0.24 -0.18 0.28 0.00 0.00 0.00 179.25 179.00 1jx2 h VAL 113 N -0.06 0.59 -0.53 0.00 2.07 -0.40 -2.21 116.25 115.72 1jx2 h VAL 113 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1jx2 h VAL 113 Cb 0.26 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 1jx2 h VAL 113 CO 0.00 0.00 0.20 0.15 0.02 0.00 0.00 177.57 177.94 1jx2 h PHE 114 N -0.40 0.35 -0.15 1.57 3.57 -1.18 -2.36 116.94 118.35 1jx2 h PHE 114 Ca 0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1jx2 h PHE 114 Cb 0.38 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1jx2 h PHE 114 CO -0.15 0.11 -0.18 1.25 -2.23 0.00 0.00 178.31 177.12 1jx2 h HIS 115 N 0.39 -0.46 -0.69 0.41 2.76 -0.48 0.26 115.15 117.34 1jx2 h HIS 115 Ca 0.26 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1jx2 h HIS 115 Cb 0.28 0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.43 1jx2 h HIS 115 CO -0.16 -0.25 0.46 -0.97 -1.30 0.00 0.00 177.93 175.71 1jx2 h ASN 116 N -0.22 0.78 -0.43 3.26 -0.00 -1.12 0.85 115.58 118.71 1jx2 h ASN 116 Ca 0.10 -0.02 -0.15 0.00 -0.00 0.00 0.00 56.30 56.24 1jx2 h ASN 116 Cb 0.37 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.49 1jx2 h ASN 116 CO -0.28 0.56 -0.30 -0.07 -0.00 0.00 0.00 177.43 177.34 1jx2 h LEU 117 N 0.91 1.01 -0.11 0.34 3.38 -0.81 -1.86 115.31 118.17 1jx2 h LEU 117 Ca 0.26 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jx2 h LEU 117 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1jx2 h LEU 117 CO -0.06 1.22 0.06 -0.09 0.09 0.00 0.00 178.44 179.66 1jx2 h ARG 118 N 0.80 0.15 -0.20 1.13 2.43 0.28 0.33 114.38 119.29 1jx2 h ARG 118 Ca 0.08 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1jx2 h ARG 118 Cb 0.89 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 1jx2 h ARG 118 CO 0.08 0.18 -0.02 0.28 -1.51 0.00 0.00 179.97 178.98 1jx2 h VAL 119 N 0.08 0.83 -0.13 0.20 2.07 -0.78 -0.37 116.25 118.15 1jx2 h VAL 119 Ca 0.04 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1jx2 h VAL 119 Cb 0.07 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1jx2 h VAL 119 CO -0.01 0.01 0.04 0.03 0.02 0.00 0.00 177.57 177.66 1jx2 h ARG 120 N 0.03 0.20 -0.71 1.57 3.08 -1.16 -3.17 114.38 114.22 1jx2 h ARG 120 Ca 0.10 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.19 1jx2 h ARG 120 Cb 0.14 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 1jx2 h ARG 120 CO -0.19 0.32 0.36 -0.92 -1.07 0.00 0.00 179.97 178.47 1jx2 h TYR 121 N 0.03 0.65 0.00 3.04 3.20 0.06 0.63 116.97 124.59 1jx2 h TYR 121 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1jx2 h TYR 121 Cb 0.20 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1jx2 h TYR 121 CO -0.01 0.25 0.00 -0.91 -1.64 0.00 0.00 178.16 175.85 1jx2 h ASN 122 N 0.62 0.00 -0.62 -2.11 2.35 -1.07 0.11 115.58 114.87 1jx2 h ASN 122 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1jx2 h ASN 122 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1jx2 h ASN 122 CO -0.25 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.53 1jx2 n GLN 123 N -2.59 2.63 -2.09 0.81 6.02 0.08 -4.92 117.38 117.32 1jx2 n GLN 123 Ca -0.01 -2.51 -0.09 0.00 -0.01 0.00 0.00 57.00 54.38 1jx2 n GLN 123 Cb 0.14 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 1jx2 n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1jx2 n ASP 124 N 1.59 -3.31 -4.30 1.08 10.43 0.38 -4.99 116.55 117.42 1jx2 n ASP 124 Ca 0.23 0.02 -0.42 0.00 2.57 0.00 0.00 54.79 57.19 1jx2 n ASP 124 Cb 0.61 -2.49 -0.09 0.00 1.84 0.00 0.00 41.12 40.99 1jx2 n ASP 124 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1jx2 s LEU 125 N -2.65 5.39 0.27 0.64 1.43 -0.39 -4.93 118.68 118.44 1jx2 s LEU 125 Ca 0.00 -1.49 0.23 0.00 -1.03 0.00 0.00 54.13 51.84 1jx2 s LEU 125 Cb 0.00 -2.06 0.11 0.00 0.03 0.00 0.00 46.19 44.27 1jx2 s LEU 125 CO 0.00 -0.60 1.22 0.16 0.23 0.00 0.00 176.35 177.36 1jx2 h ILE 126 N 5.97 0.00 -3.11 -0.59 3.07 -1.85 -3.09 117.51 117.91 1jx2 h ILE 126 Ca -0.25 -0.99 -0.62 0.00 1.55 0.00 0.00 64.86 64.55 1jx2 h ILE 126 Cb 1.09 1.65 -0.10 0.00 -0.27 0.00 0.00 36.82 39.18 1jx2 h ILE 126 CO 0.81 0.00 -0.45 -0.31 -1.05 0.00 0.00 178.15 177.16 1jx2 s TYR 127 N -3.32 3.48 -0.11 0.16 1.51 -1.26 -1.40 117.35 116.41 1jx2 s TYR 127 Ca 0.02 0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 56.44 1jx2 s TYR 127 Cb 0.08 -2.15 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1jx2 s TYR 127 CO 0.75 0.40 0.28 0.99 -1.11 0.00 0.00 175.55 176.86 1jx2 s THR 128 N -0.01 -0.01 0.24 -0.71 2.01 -0.40 -4.72 115.64 112.04 1jx2 s THR 128 Ca 0.12 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.06 1jx2 s THR 128 Cb -0.12 -0.40 -0.06 0.00 0.01 0.00 0.00 72.50 71.93 1jx2 s THR 128 CO 0.01 0.01 0.53 -0.31 -0.69 0.00 0.00 174.62 174.17 1jx2 s TYR 129 N 0.32 3.45 -0.40 4.92 2.02 -0.52 0.09 117.35 127.23 1jx2 s TYR 129 Ca -0.01 0.77 0.10 0.00 -0.37 0.00 0.00 57.07 57.55 1jx2 s TYR 129 Cb -0.03 -2.18 0.31 0.00 -0.40 0.00 0.00 41.96 39.66 1jx2 s TYR 129 CO -0.01 0.26 0.76 0.45 -1.57 0.00 0.00 175.55 175.44 1jx2 n SER 130 N -0.33 -0.12 0.00 2.29 2.88 0.41 -1.06 113.62 117.69 1jx2 n SER 130 Ca -0.00 -3.08 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 1jx2 n SER 130 Cb 0.53 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1jx2 n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jx2 n GLY 131 N 0.64 1.58 1.55 0.46 0.00 -1.26 -3.01 105.19 105.15 1jx2 n GLY 131 Ca 0.20 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.83 1jx2 n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jx2 n LEU 132 N 0.00 4.59 -4.46 0.99 7.99 -1.26 -4.90 117.00 119.96 1jx2 n LEU 132 Ca 0.00 -2.32 -0.33 0.00 -0.01 0.00 0.00 56.01 53.35 1jx2 n LEU 132 Cb 0.00 -0.57 -0.13 0.00 -0.11 0.00 0.00 43.42 42.61 1jx2 n LEU 132 CO 0.00 0.76 -0.43 -0.36 -1.51 0.00 0.00 177.39 175.85 1jx2 s PHE 133 N -1.89 2.81 -0.22 -1.77 2.99 -1.16 -4.11 117.98 114.62 1jx2 s PHE 133 Ca 0.49 -0.32 -0.05 0.00 0.00 0.00 0.00 56.93 57.05 1jx2 s PHE 133 Cb 0.32 -1.75 -0.02 0.00 0.00 0.00 0.00 43.02 41.57 1jx2 s PHE 133 CO 0.23 0.05 -0.00 -1.17 -0.00 0.00 0.00 175.22 174.32 1jx2 s LEU 134 N -0.26 3.10 -0.14 -0.37 1.98 -0.71 -0.44 118.68 121.84 1jx2 s LEU 134 Ca 0.02 -0.31 -0.07 0.00 -2.89 0.00 0.00 54.13 50.89 1jx2 s LEU 134 Cb -0.13 -1.80 -0.04 0.00 0.66 0.00 0.00 46.19 44.88 1jx2 s LEU 134 CO 0.03 -0.01 0.09 -0.69 -1.89 0.00 0.00 176.35 173.87 1jx2 s VAL 135 N 1.44 5.03 -0.10 1.68 1.01 0.11 0.59 120.40 130.16 1jx2 s VAL 135 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1jx2 s VAL 135 Cb -0.15 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.05 1jx2 s VAL 135 CO -0.00 0.54 -0.01 0.00 0.00 0.00 0.00 175.10 175.63 1jx2 s ALA 136 N -0.35 0.90 -0.32 5.51 0.00 -0.14 -1.27 121.76 126.08 1jx2 s ALA 136 Ca 0.10 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 1jx2 s ALA 136 Cb -0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1jx2 s ALA 136 CO 0.02 -0.58 0.17 0.08 0.00 0.00 0.00 175.76 175.44 1jx2 s VAL 137 N 1.89 4.75 -0.16 0.00 1.01 -0.50 -0.37 120.40 127.02 1jx2 s VAL 137 Ca 0.04 -0.38 -0.39 0.00 0.00 0.00 0.00 61.98 61.25 1jx2 s VAL 137 Cb -0.13 -3.43 -0.16 0.00 0.00 0.00 0.00 36.38 32.66 1jx2 s VAL 137 CO -0.06 0.05 1.64 -3.20 0.00 0.00 0.00 175.10 173.52 1jx2 n ASN 138 N 5.01 2.25 0.16 3.32 2.85 -0.47 -4.74 115.26 123.64 1jx2 n ASN 138 Ca -0.14 1.08 0.10 0.00 -0.11 0.00 0.00 54.58 55.51 1jx2 n ASN 138 Cb 0.49 -1.17 0.08 0.00 1.24 0.00 0.00 39.78 40.43 1jx2 n ASN 138 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1jx2 h PRO 139 N 6.55 0.00 -4.57 1.20 0.13 -1.93 -3.39 132.00 130.00 1jx2 h PRO 139 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 1jx2 h PRO 139 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1jx2 h PRO 139 CO 0.91 0.09 -0.55 1.19 -0.23 0.00 0.00 178.00 179.41 1jx2 n PHE 140 N -2.99 -1.76 -3.50 1.56 0.99 -1.26 -4.17 117.46 106.32 1jx2 n PHE 140 Ca 0.02 0.40 -0.11 0.00 -0.00 0.00 0.00 57.45 57.75 1jx2 n PHE 140 Cb 0.59 -3.78 -0.02 0.00 -1.00 0.00 0.00 39.48 35.27 1jx2 n PHE 140 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1jx2 s LYS 141 N -5.66 1.30 -0.26 -1.08 2.20 -1.26 -4.13 119.74 110.85 1jx2 s LYS 141 Ca 0.27 -0.56 -0.17 0.00 -0.36 0.00 0.00 55.97 55.15 1jx2 s LYS 141 Cb -0.13 0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 36.73 1jx2 s LYS 141 CO 0.33 -0.56 0.48 0.50 -0.36 0.00 0.00 175.35 175.74 1jx2 s ARG 142 N -3.78 4.06 -0.20 4.03 3.52 -1.26 -5.05 118.95 120.28 1jx2 s ARG 142 Ca 0.02 0.26 -0.02 0.00 -0.13 0.00 0.00 55.73 55.87 1jx2 s ARG 142 Cb -0.01 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1jx2 s ARG 142 CO -0.11 -0.33 -0.11 0.42 -0.81 0.00 0.00 175.30 174.36 1jx2 s ILE 143 N 2.23 2.81 -0.55 4.11 1.01 -1.26 -5.03 121.20 124.51 1jx2 s ILE 143 Ca 0.20 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 1jx2 s ILE 143 Cb -0.16 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1jx2 s ILE 143 CO 0.09 0.48 1.67 -0.81 0.00 0.00 0.00 174.94 176.37 1jx2 n PRO 144 N 4.63 1.25 -0.20 2.79 -0.04 -1.26 -4.28 135.00 137.88 1jx2 n PRO 144 Ca -0.19 -1.09 0.09 0.00 -0.04 0.00 0.00 63.50 62.26 1jx2 n PRO 144 Cb 0.51 -2.29 0.15 0.00 -0.04 0.00 0.00 33.50 31.82 1jx2 n PRO 144 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1jx2 n ILE 145 N 4.59 1.86 -1.21 0.52 -5.35 -1.26 -4.66 119.36 113.85 1jx2 n ILE 145 Ca 0.28 -2.36 0.05 0.00 -0.27 0.00 0.00 62.75 60.45 1jx2 n ILE 145 Cb 0.09 -0.20 0.08 0.00 -1.74 0.00 0.00 39.64 37.87 1jx2 n ILE 145 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1jx2 n TYR 146 N -1.31 0.00 -1.75 4.28 4.01 -1.26 -4.86 117.16 116.26 1jx2 n TYR 146 Ca 0.16 -0.60 -0.30 0.00 -0.16 0.00 0.00 57.90 57.00 1jx2 n TYR 146 Cb 0.66 -0.10 0.08 0.00 -0.31 0.00 0.00 39.34 39.66 1jx2 n TYR 146 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1jx2 s THR 147 N -1.68 2.89 0.22 -0.72 -4.23 -1.26 -4.85 115.64 106.00 1jx2 s THR 147 Ca 0.17 0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 1jx2 s THR 147 Cb 0.15 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.97 1jx2 s THR 147 CO 0.02 -0.38 1.79 -0.61 -0.54 0.00 0.00 174.62 174.90 1jx2 h GLN 148 N -0.96 0.61 -0.80 3.99 5.75 -1.99 0.59 115.11 122.30 1jx2 h GLN 148 Ca -0.46 -0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.10 1jx2 h GLN 148 Cb 1.28 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.64 1jx2 h GLN 148 CO 0.63 0.40 0.52 0.93 -2.65 0.00 0.00 178.83 178.66 1jx2 h GLU 149 N 0.63 0.70 -0.30 1.69 3.07 -1.99 0.23 114.58 118.61 1jx2 h GLU 149 Ca 0.33 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 59.01 1jx2 h GLU 149 Cb 0.31 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1jx2 h GLU 149 CO -0.24 0.47 -0.38 0.52 -1.40 0.00 0.00 179.01 177.97 1jx2 h MET 150 N 0.72 0.70 -0.35 2.33 2.86 -1.26 -1.68 114.93 118.25 1jx2 h MET 150 Ca 0.37 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1jx2 h MET 150 Cb 0.47 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1jx2 h MET 150 CO -0.15 0.97 0.16 0.28 1.06 0.00 0.00 176.91 179.23 1jx2 h VAL 151 N 0.58 1.17 -0.91 -2.22 2.07 0.30 -2.87 116.25 114.37 1jx2 h VAL 151 Ca 0.05 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1jx2 h VAL 151 Cb 0.92 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1jx2 h VAL 151 CO 0.08 0.19 0.58 0.44 0.02 0.00 0.00 177.57 178.88 1jx2 h ASP 152 N 0.43 1.07 -0.93 0.57 3.45 -0.49 -2.49 116.42 118.02 1jx2 h ASP 152 Ca 0.12 -0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.55 1jx2 h ASP 152 Cb 0.15 -0.27 -0.05 0.00 -0.56 0.00 0.00 39.33 38.60 1jx2 h ASP 152 CO -0.01 0.79 0.61 0.40 -1.57 0.00 0.00 179.24 179.46 1jx2 h ILE 153 N 1.24 1.21 0.00 0.35 2.04 -1.10 -2.62 117.51 118.64 1jx2 h ILE 153 Ca 0.33 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1jx2 h ILE 153 Cb -0.10 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 35.85 1jx2 h ILE 153 CO -0.07 0.22 -0.19 0.49 0.00 0.00 0.00 178.15 178.60 1jx2 n PHE 154 N -4.46 0.33 -1.67 1.37 3.01 -0.98 -4.68 117.46 110.37 1jx2 n PHE 154 Ca 0.11 0.09 -0.47 0.00 1.01 0.00 0.00 57.45 58.19 1jx2 n PHE 154 Cb 0.03 -0.59 -0.05 0.00 -0.01 0.00 0.00 39.48 38.87 1jx2 n PHE 154 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1jx2 n LYS 155 N -1.79 2.14 0.00 -1.08 4.81 -0.98 -2.27 118.16 118.99 1jx2 n LYS 155 Ca 0.06 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1jx2 n LYS 155 Cb 0.38 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.84 1jx2 n LYS 155 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jx2 n GLY 156 N 3.95 0.99 3.37 3.14 0.00 -1.26 -4.96 105.19 110.41 1jx2 n GLY 156 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1jx2 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jx2 n ARG 157 N 0.00 0.27 -3.20 1.61 5.12 -0.96 -4.99 116.66 114.52 1jx2 n ARG 157 Ca 0.00 0.10 -0.20 0.00 -1.93 0.00 0.00 57.85 55.82 1jx2 n ARG 157 Cb 0.00 -1.27 0.01 0.00 -1.16 0.00 0.00 32.46 30.04 1jx2 n ARG 157 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1jx2 s ARG 158 N -1.33 3.04 0.11 5.56 0.52 -1.26 -4.81 118.95 120.77 1jx2 s ARG 158 Ca 0.62 -0.81 -0.33 0.00 -0.52 0.00 0.00 55.73 54.69 1jx2 s ARG 158 Cb -0.60 -2.69 -0.12 0.00 0.52 0.00 0.00 34.95 32.05 1jx2 s ARG 158 CO 0.60 -0.14 1.58 -0.09 0.02 0.00 0.00 175.30 177.27 1jx2 h ARG 159 N 0.63 -0.71 -0.05 3.54 2.43 -1.89 -1.09 114.38 117.24 1jx2 h ARG 159 Ca -0.45 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1jx2 h ARG 159 Cb 1.26 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1jx2 h ARG 159 CO 0.54 -0.47 0.06 -0.91 -1.51 0.00 0.00 179.97 177.67 1jx2 h ASN 160 N -0.74 0.00 1.55 -3.80 4.21 -1.98 -2.06 115.58 112.77 1jx2 h ASN 160 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1jx2 h ASN 160 Cb 0.73 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.93 1jx2 h ASN 160 CO -0.22 0.00 0.00 -0.33 -1.29 0.00 0.00 177.43 175.59 1jx2 h GLU 161 N 0.00 0.00 -4.56 0.81 5.08 -1.58 -3.47 114.58 110.86 1jx2 h GLU 161 Ca 0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 1jx2 h GLU 161 Cb 0.14 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.24 1jx2 h GLU 161 CO -0.00 0.00 -0.64 0.14 -1.00 0.00 0.00 179.01 177.51 1jx2 s VAL 162 N -3.31 0.23 0.78 3.13 -7.23 -0.77 -4.90 120.40 108.33 1jx2 s VAL 162 Ca 0.06 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 1jx2 s VAL 162 Cb 0.08 -2.19 0.06 0.00 0.56 0.00 0.00 36.38 34.89 1jx2 s VAL 162 CO 0.60 -0.35 1.10 0.00 -0.31 0.00 0.00 175.10 176.14 1jx2 s ALA 163 N -3.97 2.17 0.30 1.32 0.00 -1.26 -4.87 121.76 115.45 1jx2 s ALA 163 Ca 0.28 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1jx2 s ALA 163 Cb 0.07 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 1jx2 s ALA 163 CO 0.05 -1.86 1.59 -2.30 0.00 0.00 0.00 175.76 173.23 1jx2 n PRO 164 N -3.51 2.71 -3.60 0.00 -0.02 -1.26 -4.87 135.00 124.45 1jx2 n PRO 164 Ca 0.10 0.96 -0.09 0.00 -2.02 0.00 0.00 63.50 62.45 1jx2 n PRO 164 Cb 0.53 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.21 1jx2 n PRO 164 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1jx2 s HIS 165 N -0.13 -0.33 0.52 6.00 2.46 -1.26 -4.71 115.29 117.83 1jx2 s HIS 165 Ca 0.63 0.63 0.18 0.00 0.47 0.00 0.00 55.06 56.96 1jx2 s HIS 165 Cb -0.49 0.44 1.31 0.00 -0.13 0.00 0.00 32.58 33.71 1jx2 s HIS 165 CO 0.50 -0.27 2.14 0.97 -2.47 0.00 0.00 174.74 175.62 1jx2 h ILE 166 N 2.70 0.95 -0.51 0.89 6.09 -1.98 -1.04 117.51 124.61 1jx2 h ILE 166 Ca -0.19 -0.08 -0.10 0.00 -1.37 0.00 0.00 64.86 63.12 1jx2 h ILE 166 Cb 1.17 1.04 -0.02 0.00 0.47 0.00 0.00 36.82 39.48 1jx2 h ILE 166 CO 0.26 0.02 -0.07 -0.26 -3.07 0.00 0.00 178.15 175.03 1jx2 h PHE 167 N 0.00 1.06 -0.28 2.19 0.05 -1.95 -2.24 116.94 115.77 1jx2 h PHE 167 Ca -0.00 -0.21 0.02 0.00 3.82 0.00 0.00 57.97 61.60 1jx2 h PHE 167 Cb 0.04 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 37.70 1jx2 h PHE 167 CO 0.00 0.99 0.14 0.00 -0.18 0.00 0.00 178.31 179.27 1jx2 h ALA 168 N 0.92 0.34 0.00 2.45 0.00 -1.53 0.88 119.26 122.32 1jx2 h ALA 168 Ca 0.14 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1jx2 h ALA 168 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jx2 h ALA 168 CO 0.04 -0.25 -0.32 0.97 0.00 0.00 0.00 179.25 179.69 1jx2 h ILE 169 N 0.30 1.10 -0.36 0.00 2.10 -1.47 -1.28 117.51 117.90 1jx2 h ILE 169 Ca 0.11 -1.16 -0.09 0.00 1.08 0.00 0.00 64.86 64.81 1jx2 h ILE 169 Cb 0.03 1.65 -0.01 0.00 -1.09 0.00 0.00 36.82 37.40 1jx2 h ILE 169 CO -0.08 0.32 -0.11 0.28 -1.08 0.00 0.00 178.15 177.48 1jx2 h SER 170 N 0.00 0.72 -0.41 2.19 0.02 -0.68 -2.23 113.55 113.16 1jx2 h SER 170 Ca -0.00 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.53 1jx2 h SER 170 Cb 0.62 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1jx2 h SER 170 CO 0.04 0.93 0.11 -0.78 -1.14 0.00 0.00 176.83 176.00 1jx2 h ASP 171 N 0.49 0.62 -0.43 3.07 1.82 -0.24 -1.07 116.42 120.68 1jx2 h ASP 171 Ca 0.09 -0.22 0.05 0.00 -0.39 0.00 0.00 57.03 56.55 1jx2 h ASP 171 Cb 0.63 -0.16 -0.04 0.00 0.68 0.00 0.00 39.33 40.44 1jx2 h ASP 171 CO 0.04 0.68 0.17 0.58 -1.61 0.00 0.00 179.24 179.10 1jx2 h VAL 172 N 0.53 0.89 -0.58 2.25 2.07 -1.22 0.51 116.25 120.70 1jx2 h VAL 172 Ca 0.13 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1jx2 h VAL 172 Cb 0.29 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1jx2 h VAL 172 CO -0.00 0.06 0.23 0.00 0.02 0.00 0.00 177.57 177.88 1jx2 h ALA 173 N 1.27 1.30 -0.13 1.67 0.00 -1.18 0.11 119.26 122.30 1jx2 h ALA 173 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jx2 h ALA 173 Cb 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jx2 h ALA 173 CO -0.18 0.52 -0.05 -0.92 0.00 0.00 0.00 179.25 178.61 1jx2 h TYR 174 N 0.84 0.29 -0.85 0.00 3.20 0.20 -1.40 116.97 119.25 1jx2 h TYR 174 Ca 0.20 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1jx2 h TYR 174 Cb 0.17 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1jx2 h TYR 174 CO 0.01 0.58 0.44 0.00 -1.64 0.00 0.00 178.16 177.55 1jx2 h ARG 175 N -0.08 1.20 -0.74 1.82 2.47 0.27 -2.20 114.38 117.11 1jx2 h ARG 175 Ca 0.03 -0.15 -0.06 0.00 -1.26 0.00 0.00 59.98 58.54 1jx2 h ARG 175 Cb 0.49 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 1jx2 h ARG 175 CO 0.02 0.90 0.24 0.77 0.56 0.00 0.00 179.97 182.45 1jx2 h SER 176 N 1.20 1.07 -0.04 7.04 0.02 -0.68 0.19 113.55 122.34 1jx2 h SER 176 Ca 0.30 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1jx2 h SER 176 Cb 0.07 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1jx2 h SER 176 CO -0.04 0.99 -0.09 -0.03 -1.14 0.00 0.00 176.83 176.52 1jx2 h MET 177 N 1.10 -0.13 -0.01 3.45 1.85 -0.65 -0.13 114.93 120.41 1jx2 h MET 177 Ca 0.24 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.34 1jx2 h MET 177 Cb 0.29 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.35 1jx2 h MET 177 CO -0.01 -0.08 -0.00 -0.07 -0.40 0.00 0.00 176.91 176.35 1jx2 h LEU 178 N -0.13 0.02 -0.46 3.39 4.07 -1.19 0.16 115.31 121.18 1jx2 h LEU 178 Ca 0.05 -0.31 -0.04 0.00 0.08 0.00 0.00 57.88 57.66 1jx2 h LEU 178 Cb 0.20 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 1jx2 h LEU 178 CO -0.12 0.33 0.13 0.44 -1.08 0.00 0.00 178.44 178.14 1jx2 h ASP 179 N -0.28 0.68 0.08 -0.43 3.32 -0.56 -3.21 116.42 116.01 1jx2 h ASP 179 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1jx2 h ASP 179 Cb 0.32 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1jx2 h ASP 179 CO 0.00 0.71 -0.61 0.47 -1.72 0.00 0.00 179.24 178.10 1jx2 n ASP 180 N -4.53 1.41 -3.60 6.45 8.00 -0.07 -4.96 116.55 119.25 1jx2 n ASP 180 Ca 0.01 -1.14 -0.22 0.00 0.71 0.00 0.00 54.79 54.15 1jx2 n ASP 180 Cb 0.20 0.56 0.07 0.00 -0.02 0.00 0.00 41.12 41.93 1jx2 n ASP 180 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jx2 n ARG 181 N -0.72 -6.75 -4.41 -1.24 5.12 0.52 -4.99 116.66 104.19 1jx2 n ARG 181 Ca 0.08 0.77 -0.20 0.00 -1.93 0.00 0.00 57.85 56.57 1jx2 n ARG 181 Cb 0.39 -5.72 -0.14 0.00 -1.16 0.00 0.00 32.46 25.83 1jx2 n ARG 181 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1jx2 s GLN 182 N -5.99 0.91 0.55 5.56 0.74 -1.00 -5.04 119.66 115.40 1jx2 s GLN 182 Ca 0.32 -0.60 -0.20 0.00 0.05 0.00 0.00 55.36 54.93 1jx2 s GLN 182 Cb -0.14 -0.89 -0.05 0.00 1.10 0.00 0.00 33.01 33.02 1jx2 s GLN 182 CO 0.76 0.23 1.15 -0.80 -0.55 0.00 0.00 175.29 176.08 1jx2 s ASN 183 N -0.76 5.62 0.29 6.67 0.01 -1.26 -4.16 114.94 121.35 1jx2 s ASN 183 Ca 0.02 2.24 0.08 0.00 -0.71 0.00 0.00 52.86 54.49 1jx2 s ASN 183 Cb -0.06 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 38.95 1jx2 s ASN 183 CO 0.00 -1.29 -0.08 -1.10 -1.51 0.00 0.00 177.10 173.12 1jx2 s GLN 184 N -3.25 1.61 -0.05 -0.60 -1.52 -0.73 -0.98 119.66 114.14 1jx2 s GLN 184 Ca 0.73 -1.81 -0.09 0.00 -1.95 0.00 0.00 55.36 52.24 1jx2 s GLN 184 Cb -0.26 -1.33 0.02 0.00 -0.22 0.00 0.00 33.01 31.22 1jx2 s GLN 184 CO 0.29 0.09 0.22 -1.54 -0.25 0.00 0.00 175.29 174.10 1jx2 s SER 185 N -3.48 -0.17 -0.16 5.90 1.04 -1.00 -0.25 113.70 115.58 1jx2 s SER 185 Ca 0.30 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.97 1jx2 s SER 185 Cb 0.03 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1jx2 s SER 185 CO 0.13 -0.21 -0.17 -0.76 0.98 0.00 0.00 173.24 173.21 1jx2 s LEU 186 N -0.47 1.90 -0.35 2.42 1.02 0.12 0.07 118.68 123.40 1jx2 s LEU 186 Ca -0.06 -0.56 -0.11 0.00 0.02 0.00 0.00 54.13 53.42 1jx2 s LEU 186 Cb -0.04 -1.32 0.00 0.00 0.02 0.00 0.00 46.19 44.85 1jx2 s LEU 186 CO 0.01 -0.02 0.20 -0.76 0.02 0.00 0.00 176.35 175.80 1jx2 s LEU 187 N 1.36 4.47 -0.32 1.79 1.02 0.53 -0.73 118.68 126.80 1jx2 s LEU 187 Ca 0.04 -0.69 -0.06 0.00 0.02 0.00 0.00 54.13 53.44 1jx2 s LEU 187 Cb -0.13 -2.05 0.03 0.00 0.02 0.00 0.00 46.19 44.06 1jx2 s LEU 187 CO -0.11 -0.29 0.09 -0.63 0.02 0.00 0.00 176.35 175.43 1jx2 s ILE 188 N 1.62 3.77 0.30 -0.59 1.01 -0.86 -0.66 121.20 125.79 1jx2 s ILE 188 Ca 0.04 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.75 1jx2 s ILE 188 Cb -0.18 -3.07 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 1jx2 s ILE 188 CO 0.07 -0.09 -0.07 0.42 0.00 0.00 0.00 174.94 175.28 1jx2 s THR 189 N 1.42 1.84 0.00 2.92 -4.23 -0.74 -4.08 115.64 112.77 1jx2 s THR 189 Ca -0.01 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1jx2 s THR 189 Cb -0.19 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1jx2 s THR 189 CO 0.02 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1jx2 n GLY 190 N -0.66 2.64 3.64 3.99 0.00 -1.26 -0.99 105.19 112.56 1jx2 n GLY 190 Ca -0.05 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1jx2 n GLY 190 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jx2 s GLU 191 N -2.05 0.66 0.19 1.61 2.02 -1.26 -3.33 118.70 116.55 1jx2 s GLU 191 Ca 0.00 1.14 -0.33 0.00 0.02 0.00 0.00 54.97 55.80 1jx2 s GLU 191 Cb 0.00 -1.72 -0.14 0.00 0.10 0.00 0.00 34.13 32.37 1jx2 s GLU 191 CO 0.00 -2.74 1.43 0.45 0.02 0.00 0.00 175.26 174.42 1jx2 n SER 192 N -4.27 2.61 0.00 -0.19 2.88 -1.26 -0.95 113.62 112.44 1jx2 n SER 192 Ca 0.08 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1jx2 n SER 192 Cb 0.54 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1jx2 n SER 192 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jx2 n GLY 193 N 2.57 0.74 0.28 0.46 0.00 -1.26 -4.89 105.19 103.08 1jx2 n GLY 193 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.34 1jx2 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx2 h ALA 194 N 0.00 1.00 0.00 4.61 0.00 -1.37 -3.46 119.26 120.04 1jx2 h ALA 194 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jx2 h ALA 194 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jx2 h ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1jx2 n GLY 195 N -0.04 1.85 0.08 0.00 0.00 -1.26 -3.88 105.19 101.94 1jx2 n GLY 195 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1jx2 n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jx2 h LYS 196 N 0.00 -0.10 -0.39 1.61 1.57 -1.89 -2.47 116.57 114.90 1jx2 h LYS 196 Ca 0.00 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1jx2 h LYS 196 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1jx2 h LYS 196 CO 0.00 0.01 -0.30 1.15 -0.57 0.00 0.00 179.45 179.74 1jx2 h THR 197 N -0.19 1.28 -0.77 -0.16 2.02 -1.96 0.31 112.91 113.44 1jx2 h THR 197 Ca -0.01 -1.46 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 1jx2 h THR 197 Cb 0.16 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1jx2 h THR 197 CO 0.02 0.49 0.38 -0.33 0.37 0.00 0.00 175.52 176.44 1jx2 h GLU 198 N 0.72 1.10 -0.06 6.66 4.39 -1.99 -1.51 114.58 123.88 1jx2 h GLU 198 Ca 0.08 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 1jx2 h GLU 198 Cb 0.86 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1jx2 h GLU 198 CO 0.08 0.85 -0.56 -0.91 -1.16 0.00 0.00 179.01 177.30 1jx2 h ASN 199 N 1.07 0.20 -0.61 1.42 4.21 -1.24 -2.62 115.58 118.02 1jx2 h ASN 199 Ca 0.26 -0.11 -0.04 0.00 1.21 0.00 0.00 56.30 57.62 1jx2 h ASN 199 Cb 0.10 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.22 1jx2 h ASN 199 CO -0.03 0.73 0.22 0.74 -1.29 0.00 0.00 177.43 177.79 1jx2 h THR 200 N 0.14 1.24 -0.44 2.81 2.02 -0.47 -2.24 112.91 115.97 1jx2 h THR 200 Ca -0.00 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1jx2 h THR 200 Cb 1.04 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1jx2 h THR 200 CO 0.08 0.30 0.10 0.11 0.37 0.00 0.00 175.52 176.48 1jx2 h LYS 201 N 0.87 0.65 -0.64 6.66 1.57 -1.10 -2.60 116.57 121.98 1jx2 h LYS 201 Ca 0.20 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1jx2 h LYS 201 Cb 0.25 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1jx2 h LYS 201 CO -0.01 0.61 0.18 0.87 -0.57 0.00 0.00 179.45 180.53 1jx2 h LYS 202 N 0.64 1.01 -0.32 3.15 1.79 -1.05 0.74 116.57 122.53 1jx2 h LYS 202 Ca 0.14 -0.23 0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1jx2 h LYS 202 Cb 0.26 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1jx2 h LYS 202 CO -0.00 0.89 0.15 0.28 -1.08 0.00 0.00 179.45 179.69 1jx2 h VAL 203 N 0.93 0.98 -0.64 0.50 2.07 -1.05 0.75 116.25 119.80 1jx2 h VAL 203 Ca 0.20 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 1jx2 h VAL 203 Cb 0.32 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1jx2 h VAL 203 CO -0.00 0.06 0.17 0.40 0.02 0.00 0.00 177.57 178.22 1jx2 h ILE 204 N 0.32 1.25 -0.33 4.57 2.04 -1.29 0.09 117.51 124.16 1jx2 h ILE 204 Ca 0.13 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.14 1jx2 h ILE 204 Cb 0.05 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1jx2 h ILE 204 CO -0.10 0.34 0.06 -0.61 0.00 0.00 0.00 178.15 177.84 1jx2 h GLN 205 N 0.93 0.17 -0.15 2.37 4.15 -0.26 -0.09 115.11 122.23 1jx2 h GLN 205 Ca 0.20 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1jx2 h GLN 205 Cb 0.33 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1jx2 h GLN 205 CO -0.00 0.11 0.04 -0.92 -1.93 0.00 0.00 178.83 176.14 1jx2 h TYR 206 N 0.18 0.24 -0.43 3.99 3.20 -0.26 -2.32 116.97 121.57 1jx2 h TYR 206 Ca 0.16 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1jx2 h TYR 206 Cb 0.18 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1jx2 h TYR 206 CO -0.18 0.35 0.23 -0.07 -1.64 0.00 0.00 178.16 176.85 1jx2 h LEU 207 N 0.06 0.54 -1.54 2.82 4.07 -0.82 -0.95 115.31 119.49 1jx2 h LEU 207 Ca 0.05 -0.09 0.03 0.00 0.08 0.00 0.00 57.88 57.95 1jx2 h LEU 207 Cb 0.23 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1jx2 h LEU 207 CO -0.00 0.48 0.35 0.00 -1.08 0.00 0.00 178.44 178.19 1jx2 h ALA 208 N 1.08 1.74 0.11 1.53 0.00 -0.93 -1.22 119.26 121.57 1jx2 h ALA 208 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jx2 h ALA 208 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jx2 h ALA 208 CO -0.02 0.20 -0.05 1.03 0.00 0.00 0.00 179.25 180.40 1jx2 h SER 209 N 0.61 -0.13 -0.00 0.00 0.87 -0.79 -1.71 113.55 112.39 1jx2 h SER 209 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1jx2 h SER 209 Cb 0.10 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1jx2 h SER 209 CO -0.06 0.07 0.00 -0.37 -0.53 0.00 0.00 176.83 175.94 1jx2 h VAL 210 N -0.46 0.56 -0.20 2.23 -1.51 -1.24 -2.31 116.25 113.31 1jx2 h VAL 210 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1jx2 h VAL 210 Cb 0.11 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1jx2 h VAL 210 CO 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 1jx2 n ALA 211 N -2.34 2.32 -1.33 5.19 0.00 -0.46 -5.07 120.51 118.82 1jx2 n ALA 211 Ca -0.03 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.87 1jx2 n ALA 211 Cb 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1jx2 n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jx2 n GLY 212 N -0.18 1.23 2.16 0.00 0.00 -0.64 -1.80 105.19 105.96 1jx2 n GLY 212 Ca 0.11 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 1jx2 n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jx2 n SER 219 N 0.00 0.55 -1.18 1.61 7.64 -1.26 -4.84 113.62 116.14 1jx2 n SER 219 Ca 0.00 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1jx2 n SER 219 Cb 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1jx2 n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jx2 n GLY 220 N 2.38 -4.43 0.29 0.23 0.00 -1.26 -4.20 105.19 98.20 1jx2 n GLY 220 Ca 0.02 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 1jx2 n GLY 220 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jx2 h VAL 221 N 1.96 0.49 -0.82 1.61 2.07 -2.02 -2.04 116.25 117.51 1jx2 h VAL 221 Ca 0.00 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1jx2 h VAL 221 Cb 0.00 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 1jx2 h VAL 221 CO 0.00 0.02 0.46 0.25 0.02 0.00 0.00 177.57 178.32 1jx2 h LEU 222 N -0.75 0.65 0.08 2.57 5.85 -1.99 -0.94 115.31 120.77 1jx2 h LEU 222 Ca -0.07 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jx2 h LEU 222 Cb 0.55 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1jx2 h LEU 222 CO 0.11 0.36 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.15 1jx2 h GLU 223 N 0.76 -0.20 -0.85 1.25 3.07 -1.77 -0.56 114.58 116.28 1jx2 h GLU 223 Ca 0.40 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.30 1jx2 h GLU 223 Cb 0.39 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.30 1jx2 h GLU 223 CO -0.26 -0.13 0.55 1.96 -1.40 0.00 0.00 179.01 179.73 1jx2 h GLN 224 N -0.21 1.05 -0.22 2.33 4.20 -0.85 -0.52 115.11 120.90 1jx2 h GLN 224 Ca 0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1jx2 h GLN 224 Cb 0.21 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1jx2 h GLN 224 CO -0.05 0.70 0.11 1.96 -0.67 0.00 0.00 178.83 180.89 1jx2 h GLN 225 N 1.08 0.31 -0.33 1.46 4.20 -0.76 0.18 115.11 121.25 1jx2 h GLN 225 Ca 0.33 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.03 1jx2 h GLN 225 Cb -0.03 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1jx2 h GLN 225 CO -0.10 0.30 0.14 0.82 -0.67 0.00 0.00 178.83 179.31 1jx2 h ILE 226 N 0.24 0.94 -0.17 2.54 2.04 -0.69 -1.66 117.51 120.75 1jx2 h ILE 226 Ca 0.08 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1jx2 h ILE 226 Cb 0.08 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1jx2 h ILE 226 CO -0.01 0.05 -0.10 -0.07 0.00 0.00 0.00 178.15 178.03 1jx2 h LEU 227 N 0.29 0.24 -0.08 1.44 3.38 -0.82 -2.84 115.31 116.91 1jx2 h LEU 227 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1jx2 h LEU 227 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jx2 h LEU 227 CO -0.13 0.38 -0.17 0.00 0.09 0.00 0.00 178.44 178.61 1jx2 n GLN 228 N -4.30 0.26 -0.05 1.13 1.13 0.62 -3.92 117.38 112.25 1jx2 n GLN 228 Ca -0.00 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 54.86 1jx2 n GLN 228 Cb 0.25 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.12 1jx2 n GLN 228 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jx2 h ALA 229 N 3.23 0.63 -0.37 -1.58 0.00 -1.07 -3.21 119.26 116.88 1jx2 h ALA 229 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1jx2 h ALA 229 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jx2 h ALA 229 CO 0.00 0.68 0.22 -0.97 0.00 0.00 0.00 179.25 179.17 1jx2 h ASN 230 N 0.59 0.46 -0.85 0.00 -0.73 -1.73 -2.49 115.58 110.82 1jx2 h ASN 230 Ca 0.03 -0.07 0.07 0.00 1.87 0.00 0.00 56.30 58.21 1jx2 h ASN 230 Cb 1.05 -0.12 -0.06 0.00 0.27 0.00 0.00 38.32 39.47 1jx2 h ASN 230 CO 0.10 0.39 0.55 -0.65 -0.37 0.00 0.00 177.43 177.46 1jx2 h PRO 231 N 0.49 0.88 0.12 6.67 0.11 -1.77 0.19 132.00 138.68 1jx2 h PRO 231 Ca 0.13 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1jx2 h PRO 231 Cb 0.03 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1jx2 h PRO 231 CO -0.02 0.58 -0.06 0.82 -0.21 0.00 0.00 178.00 179.11 1jx2 h ILE 232 N 0.91 1.00 -0.11 4.15 2.04 -1.46 -2.77 117.51 121.27 1jx2 h ILE 232 Ca 0.38 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1jx2 h ILE 232 Cb 0.28 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1jx2 h ILE 232 CO -0.14 0.12 -0.15 -0.07 0.00 0.00 0.00 178.15 177.91 1jx2 h LEU 233 N -0.40 0.16 -0.81 1.44 3.38 -1.05 -2.69 115.31 115.35 1jx2 h LEU 233 Ca -0.02 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1jx2 h LEU 233 Cb 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jx2 h LEU 233 CO 0.03 0.32 -0.32 -0.33 0.09 0.00 0.00 178.44 178.24 1jx2 h GLU 234 N 0.16 0.53 -0.72 1.13 5.08 -0.95 0.42 114.58 120.23 1jx2 h GLU 234 Ca 0.03 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1jx2 h GLU 234 Cb 0.36 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1jx2 h GLU 234 CO 0.02 0.78 0.33 0.00 -1.00 0.00 0.00 179.01 179.14 1jx2 h ALA 235 N 1.21 0.93 0.00 3.43 0.00 -1.18 -0.55 119.26 123.09 1jx2 h ALA 235 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jx2 h ALA 235 Cb 0.77 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jx2 h ALA 235 CO 0.06 0.51 -0.94 0.74 0.00 0.00 0.00 179.25 179.62 1jx2 h PHE 236 N 1.01 0.00 -0.00 0.00 -1.00 -1.44 0.59 116.94 116.10 1jx2 h PHE 236 Ca 0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.02 1jx2 h PHE 236 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1jx2 h PHE 236 CO 0.01 0.00 -0.00 0.41 -1.61 0.00 0.00 178.31 177.12 1jx2 n GLY 237 N 1.21 -1.21 3.62 -1.45 0.00 0.15 -4.91 105.19 102.61 1jx2 n GLY 237 Ca 0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1jx2 n GLY 237 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jx2 s ASN 238 N -0.21 4.48 0.08 1.61 -0.87 -0.22 -0.16 114.94 119.66 1jx2 s ASN 238 Ca 0.02 -0.60 -0.26 0.00 -1.57 0.00 0.00 52.86 50.46 1jx2 s ASN 238 Cb 0.02 -0.83 0.08 0.00 -0.02 0.00 0.00 41.25 40.50 1jx2 s ASN 238 CO 0.03 0.04 0.72 0.00 -2.57 0.00 0.00 177.10 175.32 1jx2 s ALA 239 N -2.08 -1.70 -0.01 0.60 0.00 -0.22 -1.82 121.76 116.53 1jx2 s ALA 239 Ca 0.29 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1jx2 s ALA 239 Cb -0.07 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1jx2 s ALA 239 CO 0.18 -0.72 1.09 0.21 0.00 0.00 0.00 175.76 176.53 1jx2 s LYS 240 N -3.37 4.46 0.39 0.00 2.20 -1.21 -1.16 119.74 121.05 1jx2 s LYS 240 Ca 0.02 1.57 0.00 0.00 -0.36 0.00 0.00 55.97 57.20 1jx2 s LYS 240 Cb -0.01 -3.46 -0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1jx2 s LYS 240 CO -0.10 -0.24 0.00 0.25 -0.36 0.00 0.00 175.35 174.90 1jx2 n THR 241 N 4.17 0.00 0.40 3.43 -2.24 -0.12 -1.72 114.28 118.20 1jx2 n THR 241 Ca 0.08 -1.87 0.13 0.00 -2.27 0.00 0.00 64.05 60.13 1jx2 n THR 241 Cb 0.48 0.38 0.50 0.00 -2.10 0.00 0.00 70.33 69.59 1jx2 n THR 241 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1jx2 h THR 242 N 1.21 0.00 0.00 4.28 1.35 -1.92 -3.20 112.91 114.63 1jx2 h THR 242 Ca -0.33 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1jx2 h THR 242 Cb 0.99 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1jx2 h THR 242 CO 0.54 0.00 -1.11 0.54 -0.25 0.00 0.00 175.52 175.25 1jx2 n ARG 243 N -2.53 1.49 -3.64 4.72 1.74 -1.26 -4.97 116.66 112.21 1jx2 n ARG 243 Ca 0.03 -0.06 -0.05 0.00 -0.77 0.00 0.00 57.85 57.00 1jx2 n ARG 243 Cb 0.31 -1.25 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 1jx2 n ARG 243 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jx2 s ASN 244 N -2.93 -0.65 0.59 0.55 3.04 -1.21 -4.49 114.94 109.84 1jx2 s ASN 244 Ca 0.01 1.23 0.30 0.00 0.04 0.00 0.00 52.86 54.44 1jx2 s ASN 244 Cb 0.10 1.77 1.81 0.00 -1.54 0.00 0.00 41.25 43.39 1jx2 s ASN 244 CO 0.60 -0.23 2.24 0.78 -3.04 0.00 0.00 177.10 177.45 1jx2 h ASN 245 N 8.10 0.00 -1.14 -4.21 -0.26 -1.85 -0.24 115.58 115.97 1jx2 h ASN 245 Ca -0.17 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 55.07 1jx2 h ASN 245 Cb 1.11 0.00 -0.42 0.00 -1.06 0.00 0.00 38.32 37.95 1jx2 h ASN 245 CO 0.12 0.02 -0.88 -3.20 -1.06 0.00 0.00 177.43 172.43 1jx2 n ASN 246 N -3.76 3.85 -4.74 5.81 5.15 -1.26 -3.33 115.26 116.98 1jx2 n ASN 246 Ca -0.03 -3.38 -0.42 0.00 -0.60 0.00 0.00 54.58 50.16 1jx2 n ASN 246 Cb 0.10 -0.45 -0.02 0.00 -0.53 0.00 0.00 39.78 38.88 1jx2 n ASN 246 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1jx2 s SER 247 N -3.50 6.46 -0.22 1.20 0.15 -0.31 -4.70 113.70 112.78 1jx2 s SER 247 Ca 0.43 2.82 -0.29 0.00 0.70 0.00 0.00 55.95 59.61 1jx2 s SER 247 Cb 0.41 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1jx2 s SER 247 CO -0.08 -0.88 1.11 -0.44 1.20 0.00 0.00 173.24 174.15 1jx2 s SER 248 N 0.77 7.03 -0.34 5.45 0.01 -1.26 -1.05 113.70 124.31 1jx2 s SER 248 Ca 0.67 1.42 0.09 0.00 1.31 0.00 0.00 55.95 59.44 1jx2 s SER 248 Cb -0.47 -2.54 0.73 0.00 0.21 0.00 0.00 66.02 63.95 1jx2 s SER 248 CO 0.40 -0.72 1.82 0.54 0.41 0.00 0.00 173.24 175.68 1jx2 n ARG 249 N 6.47 3.41 -3.57 12.44 5.12 0.78 -4.88 116.66 136.43 1jx2 n ARG 249 Ca 0.13 -3.08 -0.13 0.00 -1.93 0.00 0.00 57.85 52.83 1jx2 n ARG 249 Cb 0.46 -2.20 -0.05 0.00 -1.16 0.00 0.00 32.46 29.51 1jx2 n ARG 249 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1jx2 s PHE 250 N -3.06 -0.39 0.24 -1.55 -0.12 -1.26 -1.05 117.98 110.79 1jx2 s PHE 250 Ca 0.55 0.34 0.06 0.00 -0.05 0.00 0.00 56.93 57.83 1jx2 s PHE 250 Cb 0.45 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 43.15 1jx2 s PHE 250 CO 0.13 -0.68 0.23 0.20 -0.05 0.00 0.00 175.22 175.05 1jx2 s GLY 251 N -2.23 1.40 0.01 1.99 0.00 0.71 -4.89 107.32 104.30 1jx2 s GLY 251 Ca -0.03 -1.35 -0.13 0.00 0.00 0.00 0.00 44.72 43.22 1jx2 s GLY 251 CO -0.05 -1.38 0.26 -1.59 0.00 0.00 0.00 173.10 170.34 1jx2 s LYS 252 N -3.79 0.66 -0.21 2.90 -2.85 -0.61 -0.52 119.74 115.31 1jx2 s LYS 252 Ca 0.33 -0.34 0.01 0.00 -1.00 0.00 0.00 55.97 54.97 1jx2 s LYS 252 Cb -0.08 0.29 0.05 0.00 -2.06 0.00 0.00 37.83 36.02 1jx2 s LYS 252 CO 0.26 -0.19 -0.07 0.12 0.10 0.00 0.00 175.35 175.57 1jx2 s PHE 253 N -1.70 2.35 -0.23 1.78 5.99 -0.76 -0.25 117.98 125.16 1jx2 s PHE 253 Ca -0.11 -1.64 -0.09 0.00 0.00 0.00 0.00 56.93 55.08 1jx2 s PHE 253 Cb -0.04 -1.58 -0.04 0.00 0.00 0.00 0.00 43.02 41.35 1jx2 s PHE 253 CO 0.01 -0.75 0.13 0.42 -0.00 0.00 0.00 175.22 175.03 1jx2 s ILE 254 N 1.41 5.08 -0.24 3.12 1.01 -0.15 -1.90 121.20 129.53 1jx2 s ILE 254 Ca -0.04 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 1jx2 s ILE 254 Cb -0.18 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1jx2 s ILE 254 CO -0.07 0.36 0.05 -0.70 0.00 0.00 0.00 174.94 174.59 1jx2 s GLU 255 N 1.02 3.63 -0.32 2.79 2.12 -0.11 0.29 118.70 128.12 1jx2 s GLU 255 Ca 0.06 -0.49 -0.12 0.00 0.36 0.00 0.00 54.97 54.77 1jx2 s GLU 255 Cb -0.14 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1jx2 s GLU 255 CO 0.04 -0.17 0.23 0.42 -0.54 0.00 0.00 175.26 175.24 1jx2 s ILE 256 N 1.54 5.29 0.13 -3.70 -1.09 -0.14 -1.30 121.20 121.93 1jx2 s ILE 256 Ca 0.06 -0.09 -0.10 0.00 -2.23 0.00 0.00 60.65 58.29 1jx2 s ILE 256 Cb -0.15 -3.67 -0.06 0.00 -1.58 0.00 0.00 42.46 37.00 1jx2 s ILE 256 CO 0.03 0.06 0.46 -1.10 -1.23 0.00 0.00 174.94 173.16 1jx2 s GLN 257 N 1.74 3.79 0.12 2.79 -0.21 0.14 -1.18 119.66 126.86 1jx2 s GLN 257 Ca 0.07 0.22 0.03 0.00 0.02 0.00 0.00 55.36 55.70 1jx2 s GLN 257 Cb -0.17 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1jx2 s GLN 257 CO 0.11 0.48 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.62 1jx2 s PHE 258 N -1.54 1.05 0.49 0.91 0.40 0.06 -0.65 117.98 118.71 1jx2 s PHE 258 Ca 0.38 -0.84 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1jx2 s PHE 258 Cb -0.13 -0.57 0.02 0.00 0.51 0.00 0.00 43.02 42.85 1jx2 s PHE 258 CO 0.20 -0.05 0.70 0.54 0.70 0.00 0.00 175.22 177.31 1jx2 s ASN 259 N -3.09 5.51 0.60 1.36 2.20 -0.39 -1.88 114.94 119.25 1jx2 s ASN 259 Ca 0.14 -0.03 0.28 0.00 -0.94 0.00 0.00 52.86 52.30 1jx2 s ASN 259 Cb 0.04 -1.00 1.34 0.00 -2.00 0.00 0.00 41.25 39.63 1jx2 s ASN 259 CO -0.02 -0.93 1.75 0.77 -2.94 0.00 0.00 177.10 175.72 1jx2 h SER 260 N 0.30 0.00 0.51 3.54 4.64 -1.93 0.54 113.55 121.15 1jx2 h SER 260 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1jx2 h SER 260 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1jx2 h SER 260 CO 0.52 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 176.34 1jx2 n ALA 261 N -2.26 2.77 -0.40 5.18 0.00 -1.26 -4.92 120.51 119.62 1jx2 n ALA 261 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jx2 n ALA 261 Cb 0.84 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1jx2 n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jx2 n GLY 262 N 1.35 0.78 3.87 0.00 0.00 0.19 -5.07 105.19 106.32 1jx2 n GLY 262 Ca 0.12 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1jx2 n GLY 262 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jx2 s PHE 263 N -2.00 3.56 0.18 1.61 0.40 -1.25 -4.75 117.98 115.73 1jx2 s PHE 263 Ca 0.00 0.72 -0.32 0.00 -0.60 0.00 0.00 56.93 56.74 1jx2 s PHE 263 Cb 0.00 -2.12 -0.11 0.00 0.51 0.00 0.00 43.02 41.31 1jx2 s PHE 263 CO 0.00 0.51 1.60 0.42 0.70 0.00 0.00 175.22 178.45 1jx2 s ILE 264 N -1.45 2.47 -0.12 0.64 1.01 -0.74 -1.26 121.20 121.74 1jx2 s ILE 264 Ca 0.34 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.36 1jx2 s ILE 264 Cb -0.13 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1jx2 s ILE 264 CO 0.19 0.03 0.11 -1.54 0.00 0.00 0.00 174.94 173.73 1jx2 n SER 265 N 3.91 0.57 0.00 3.58 3.41 0.18 -4.84 113.62 120.43 1jx2 n SER 265 Ca 0.14 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1jx2 n SER 265 Cb 0.38 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1jx2 n SER 265 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jx2 n GLY 266 N 1.20 -1.46 3.42 5.00 0.00 -1.20 -4.77 105.19 107.36 1jx2 n GLY 266 Ca 0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1jx2 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx2 s ALA 267 N -1.19 -1.52 -0.01 4.61 0.00 -0.55 -0.68 121.76 122.41 1jx2 s ALA 267 Ca 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.41 1jx2 s ALA 267 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1jx2 s ALA 267 CO 0.00 -0.70 0.12 -1.54 0.00 0.00 0.00 175.76 173.64 1jx2 s SER 268 N -2.55 0.02 -0.04 0.00 1.04 -0.42 -0.86 113.70 110.88 1jx2 s SER 268 Ca -0.00 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.32 1jx2 s SER 268 Cb -0.01 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 1jx2 s SER 268 CO -0.10 -0.30 -0.14 -0.63 0.98 0.00 0.00 173.24 173.05 1jx2 s ILE 269 N -1.11 1.22 -0.04 -1.02 1.01 -1.26 -0.93 121.20 119.07 1jx2 s ILE 269 Ca -0.12 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1jx2 s ILE 269 Cb -0.07 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 1jx2 s ILE 269 CO 0.01 0.36 -0.22 -1.10 0.00 0.00 0.00 174.94 173.99 1jx2 s GLN 270 N 0.12 2.35 0.08 2.79 -1.52 -0.80 -4.94 119.66 117.74 1jx2 s GLN 270 Ca -0.04 -0.84 0.09 0.00 -1.95 0.00 0.00 55.36 52.61 1jx2 s GLN 270 Cb -0.11 -2.19 -0.03 0.00 -0.22 0.00 0.00 33.01 30.45 1jx2 s GLN 270 CO 0.02 0.54 -0.22 -1.54 -0.25 0.00 0.00 175.29 173.84 1jx2 s SER 271 N -0.55 3.60 0.01 5.90 1.04 -1.26 -1.83 113.70 120.62 1jx2 s SER 271 Ca 0.08 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1jx2 s SER 271 Cb -0.11 -0.45 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 1jx2 s SER 271 CO 0.00 0.22 -0.07 -0.31 0.98 0.00 0.00 173.24 174.07 1jx2 s TYR 272 N -0.98 0.62 -1.39 5.02 2.02 0.33 -4.94 117.35 118.02 1jx2 s TYR 272 Ca 0.15 -0.25 -0.08 0.00 -0.37 0.00 0.00 57.07 56.52 1jx2 s TYR 272 Cb -0.10 -0.39 0.01 0.00 -0.40 0.00 0.00 41.96 41.08 1jx2 s TYR 272 CO 0.06 -0.03 0.37 1.28 -1.57 0.00 0.00 175.55 175.66 1jx2 n LEU 273 N 2.39 -1.60 -4.73 -1.29 4.77 -1.26 -0.21 117.00 115.07 1jx2 n LEU 273 Ca -0.16 -1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 54.26 1jx2 n LEU 273 Cb 0.57 -1.95 -0.03 0.00 -2.33 0.00 0.00 43.42 39.68 1jx2 n LEU 273 CO 0.24 0.51 1.20 -0.22 -1.33 0.00 0.00 177.39 177.78 1jx2 s LEU 274 N -7.12 4.37 -1.36 2.23 2.96 -1.26 -4.44 118.68 114.07 1jx2 s LEU 274 Ca 0.13 2.70 -0.16 0.00 -0.22 0.00 0.00 54.13 56.58 1jx2 s LEU 274 Cb -0.06 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.08 1jx2 s LEU 274 CO 0.93 -0.80 1.92 1.21 -1.32 0.00 0.00 176.35 178.29 1jx2 n GLU 275 N 3.15 3.08 0.27 1.98 2.13 -0.22 -4.78 120.64 126.26 1jx2 n GLU 275 Ca 0.11 -3.05 0.10 0.00 0.66 0.00 0.00 57.16 54.98 1jx2 n GLU 275 Cb 0.39 -3.38 0.71 0.00 0.27 0.00 0.00 31.44 29.43 1jx2 n GLU 275 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1jx2 h LYS 276 N 6.89 0.00 0.00 5.31 1.57 -1.90 -2.04 116.57 126.40 1jx2 h LYS 276 Ca 0.49 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.26 1jx2 h LYS 276 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1jx2 h LYS 276 CO 1.62 0.00 -0.04 0.66 -0.57 0.00 0.00 179.45 181.12 1jx2 h SER 277 N 0.00 0.00 0.28 0.86 4.64 -1.94 -1.91 113.55 115.48 1jx2 h SER 277 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1jx2 h SER 277 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1jx2 h SER 277 CO 0.00 0.04 -0.20 -0.09 -0.87 0.00 0.00 176.83 175.72 1jx2 h ARG 278 N 0.00 0.00 -0.76 4.77 2.43 -1.52 -2.24 114.38 117.06 1jx2 h ARG 278 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1jx2 h ARG 278 Cb 0.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1jx2 h ARG 278 CO 0.01 0.20 0.50 0.28 -1.51 0.00 0.00 179.97 179.44 1jx2 h VAL 279 N 0.00 1.17 -0.01 0.20 2.07 -1.53 -3.03 116.25 115.13 1jx2 h VAL 279 Ca -0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1jx2 h VAL 279 Cb 0.39 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1jx2 h VAL 279 CO 0.03 0.18 -0.70 1.33 0.02 0.00 0.00 177.57 178.43 1jx2 n VAL 280 N -4.43 0.00 -3.68 2.57 0.24 -1.01 -4.86 118.33 107.16 1jx2 n VAL 280 Ca 0.09 -0.15 -0.11 0.00 -2.04 0.00 0.00 64.34 62.12 1jx2 n VAL 280 Cb 0.06 1.13 -0.09 0.00 -1.47 0.00 0.00 33.84 33.48 1jx2 n VAL 280 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1jx2 s PHE 281 N -2.65 -0.70 -0.01 6.34 2.19 -0.88 -4.91 117.98 117.36 1jx2 s PHE 281 Ca 0.13 1.57 0.00 0.00 0.33 0.00 0.00 56.93 58.97 1jx2 s PHE 281 Cb 0.16 0.31 0.01 0.00 -1.31 0.00 0.00 43.02 42.20 1jx2 s PHE 281 CO 0.69 -0.36 -0.01 -0.65 1.83 0.00 0.00 175.22 176.72 1jx2 s GLN 282 N 0.86 0.16 0.71 10.12 1.11 -1.26 -4.12 119.66 127.24 1jx2 s GLN 282 Ca -0.05 0.00 -0.11 0.00 0.01 0.00 0.00 55.36 55.22 1jx2 s GLN 282 Cb -0.05 -0.25 0.01 0.00 -1.01 0.00 0.00 33.01 31.72 1jx2 s GLN 282 CO -0.07 -0.03 1.06 -1.54 0.01 0.00 0.00 175.29 174.72 1jx2 s SER 283 N 0.37 5.29 0.10 5.90 1.04 -1.26 -4.50 113.70 120.64 1jx2 s SER 283 Ca -0.03 1.60 -0.35 0.00 0.48 0.00 0.00 55.95 57.65 1jx2 s SER 283 Cb -0.06 -2.46 -0.18 0.00 0.10 0.00 0.00 66.02 63.43 1jx2 s SER 283 CO -0.01 -1.50 1.04 1.21 0.98 0.00 0.00 173.24 174.96 1jx2 n GLU 284 N -3.17 0.54 -0.40 4.02 2.13 -1.26 -1.70 120.64 120.81 1jx2 n GLU 284 Ca 0.08 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1jx2 n GLU 284 Cb 0.54 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1jx2 n GLU 284 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1jx2 n THR 285 N 1.38 0.00 -2.71 6.31 -2.24 0.69 -4.94 114.28 112.77 1jx2 n THR 285 Ca 0.18 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.75 1jx2 n THR 285 Cb 0.18 -0.08 0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1jx2 n THR 285 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jx2 s GLU 286 N -0.16 2.63 0.43 -0.78 2.02 -0.69 -4.75 118.70 117.41 1jx2 s GLU 286 Ca 0.00 -0.77 0.06 0.00 0.02 0.00 0.00 54.97 54.28 1jx2 s GLU 286 Cb 0.00 -2.51 -0.06 0.00 0.10 0.00 0.00 34.13 31.65 1jx2 s GLU 286 CO 0.00 -0.63 0.01 1.03 0.02 0.00 0.00 175.26 175.69 1jx2 s ARG 287 N -4.71 2.02 0.60 1.61 0.52 -0.70 -4.52 118.95 113.77 1jx2 s ARG 287 Ca 0.56 -2.18 -0.07 0.00 -0.52 0.00 0.00 55.73 53.52 1jx2 s ARG 287 Cb -0.10 -1.62 0.13 0.00 0.52 0.00 0.00 34.95 33.88 1jx2 s ARG 287 CO 0.38 -0.12 0.82 -1.71 0.02 0.00 0.00 175.30 174.68 1jx2 n ASN 288 N -1.04 0.42 -4.69 0.23 2.85 -1.26 -4.50 115.26 107.27 1jx2 n ASN 288 Ca -0.08 -1.52 -0.42 0.00 -0.11 0.00 0.00 54.58 52.45 1jx2 n ASN 288 Cb 0.67 -0.59 -0.00 0.00 1.24 0.00 0.00 39.78 41.10 1jx2 n ASN 288 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1jx2 n TYR 289 N -2.90 2.14 -0.28 1.20 4.01 -1.26 -4.48 117.16 115.59 1jx2 n TYR 289 Ca 0.11 0.55 0.10 0.00 -0.16 0.00 0.00 57.90 58.50 1jx2 n TYR 289 Cb 0.40 -2.39 0.25 0.00 -0.31 0.00 0.00 39.34 37.29 1jx2 n TYR 289 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jx2 h HIS 290 N 2.34 0.23 -1.11 -0.72 3.86 -1.32 -2.53 115.15 115.91 1jx2 h HIS 290 Ca -0.46 0.05 0.31 0.00 -1.16 0.00 0.00 60.37 59.11 1jx2 h HIS 290 Cb 1.29 0.03 -0.07 0.00 1.06 0.00 0.00 27.41 29.72 1jx2 h HIS 290 CO 0.49 -0.21 0.76 0.97 0.86 0.00 0.00 177.93 180.80 1jx2 h ILE 291 N 0.19 0.45 -0.37 2.45 6.09 -1.17 -0.61 117.51 124.53 1jx2 h ILE 291 Ca 0.51 -0.07 -0.02 0.00 -1.37 0.00 0.00 64.86 63.91 1jx2 h ILE 291 Cb 0.98 0.23 -0.02 0.00 0.47 0.00 0.00 36.82 38.48 1jx2 h ILE 291 CO -0.65 0.04 0.15 -0.26 -3.07 0.00 0.00 178.15 174.36 1jx2 h PHE 292 N 0.20 0.57 -0.11 2.19 0.04 -1.75 0.05 116.94 118.13 1jx2 h PHE 292 Ca 0.59 -0.04 -0.18 0.00 2.80 0.00 0.00 57.97 61.13 1jx2 h PHE 292 Cb 1.89 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.87 1jx2 h PHE 292 CO -0.00 0.51 -0.70 1.88 -0.60 0.00 0.00 178.31 179.40 1jx2 h TYR 293 N 0.46 0.66 -0.71 -0.55 0.05 -1.32 -2.80 116.97 112.75 1jx2 h TYR 293 Ca 0.12 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 58.61 1jx2 h TYR 293 Cb 0.18 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 1jx2 h TYR 293 CO -0.00 1.04 0.35 1.96 -1.05 0.00 0.00 178.16 180.46 1jx2 h GLN 294 N 0.35 1.01 -0.13 4.88 4.20 -1.05 -1.96 115.11 122.41 1jx2 h GLN 294 Ca -0.03 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1jx2 h GLN 294 Cb 1.27 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1jx2 h GLN 294 CO 0.13 0.79 0.02 1.25 -0.67 0.00 0.00 178.83 180.34 1jx2 h LEU 295 N 0.99 0.21 -1.29 1.46 5.85 -0.95 0.11 115.31 121.69 1jx2 h LEU 295 Ca 0.25 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1jx2 h LEU 295 Cb 0.10 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1jx2 h LEU 295 CO -0.03 0.43 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.11 1jx2 h LEU 296 N -0.01 0.06 0.00 2.25 3.38 -1.39 -2.04 115.31 117.56 1jx2 h LEU 296 Ca 0.04 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1jx2 h LEU 296 Cb 0.31 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1jx2 h LEU 296 CO 0.00 0.38 -1.53 0.00 0.09 0.00 0.00 178.44 177.38 1jx2 h ALA 297 N 1.62 0.71 -0.01 1.53 0.00 -1.28 -3.40 119.26 118.44 1jx2 h ALA 297 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1jx2 h ALA 297 Cb 0.60 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1jx2 h ALA 297 CO 0.04 1.22 -0.46 0.41 0.00 0.00 0.00 179.25 180.47 1jx2 n GLY 298 N 1.46 -0.18 3.76 0.00 0.00 0.39 -4.60 105.19 106.02 1jx2 n GLY 298 Ca -0.13 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 1jx2 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx2 s ALA 299 N -2.02 2.91 0.86 4.61 0.00 -0.77 -4.89 121.76 122.46 1jx2 s ALA 299 Ca 0.09 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 1jx2 s ALA 299 Cb 0.11 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.82 1jx2 s ALA 299 CO 0.46 -1.16 1.11 0.95 0.00 0.00 0.00 175.76 177.12 1jx2 s THR 300 N -1.35 2.62 0.27 0.00 -4.23 -1.26 -4.77 115.64 106.92 1jx2 s THR 300 Ca 0.68 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 61.37 1jx2 s THR 300 Cb -0.38 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 70.86 1jx2 s THR 300 CO 0.45 -0.26 1.89 0.00 -0.54 0.00 0.00 174.62 176.16 1jx2 h ALA 301 N -1.35 1.41 -0.61 3.99 0.00 -1.99 0.45 119.26 121.16 1jx2 h ALA 301 Ca -0.49 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1jx2 h ALA 301 Cb 1.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1jx2 h ALA 301 CO 0.59 0.45 -0.01 1.49 0.00 0.00 0.00 179.25 181.77 1jx2 h GLU 302 N 1.17 1.07 -0.59 0.00 4.57 -2.00 -2.38 114.58 116.42 1jx2 h GLU 302 Ca 0.42 -0.35 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1jx2 h GLU 302 Cb 0.15 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1jx2 h GLU 302 CO -0.16 1.05 0.00 0.93 -1.18 0.00 0.00 179.01 179.65 1jx2 h GLU 303 N 0.97 1.04 -1.00 1.92 5.08 -1.58 -1.41 114.58 119.61 1jx2 h GLU 303 Ca 0.17 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1jx2 h GLU 303 Cb 0.57 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1jx2 h GLU 303 CO 0.03 1.02 0.66 0.87 -1.00 0.00 0.00 179.01 180.59 1jx2 h LYS 304 N 0.94 1.29 0.06 2.33 1.57 -0.73 -0.22 116.57 121.81 1jx2 h LYS 304 Ca 0.17 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1jx2 h LYS 304 Cb 0.55 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1jx2 h LYS 304 CO 0.03 0.85 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.52 1jx2 h LYS 305 N 1.33 -0.07 0.00 3.15 3.64 -1.29 0.48 116.57 123.81 1jx2 h LYS 305 Ca 0.37 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1jx2 h LYS 305 Cb -0.12 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1jx2 h LYS 305 CO -0.09 0.38 -0.04 0.00 -2.27 0.00 0.00 179.45 177.44 1jx2 h ALA 306 N 0.33 1.94 -0.02 5.00 0.00 -1.02 -2.49 119.26 123.01 1jx2 h ALA 306 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jx2 h ALA 306 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jx2 h ALA 306 CO 0.01 0.04 -0.37 1.28 0.00 0.00 0.00 179.25 180.22 1jx2 n LEU 307 N -4.50 1.93 -3.07 0.00 4.77 -0.11 -4.87 117.00 111.15 1jx2 n LEU 307 Ca -0.03 -0.68 -0.22 0.00 -0.03 0.00 0.00 56.01 55.05 1jx2 n LEU 307 Cb 0.12 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1jx2 n LEU 307 CO 0.34 0.35 0.08 1.41 -1.33 0.00 0.00 177.39 178.24 1jx2 n HIS 308 N 0.01 -2.17 -1.37 -1.77 8.25 -0.00 -4.90 115.22 113.28 1jx2 n HIS 308 Ca 0.11 0.65 -0.29 0.00 -0.26 0.00 0.00 57.72 57.93 1jx2 n HIS 308 Cb 0.46 -4.53 0.15 0.00 1.12 0.00 0.00 29.99 27.18 1jx2 n HIS 308 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1jx2 s LEU 309 N -6.60 1.93 0.00 2.41 1.43 -0.25 -5.04 118.68 112.56 1jx2 s LEU 309 Ca 0.38 1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 54.51 1jx2 s LEU 309 Cb -0.17 -3.44 0.04 0.00 0.03 0.00 0.00 46.19 42.65 1jx2 s LEU 309 CO 0.47 -2.72 0.49 0.00 0.23 0.00 0.00 176.35 174.82 1jx2 n ALA 310 N -3.90 -1.19 -1.39 4.21 0.00 -1.26 -4.94 120.51 112.04 1jx2 n ALA 310 Ca 0.06 -0.64 -0.32 0.00 0.00 0.00 0.00 53.44 52.54 1jx2 n ALA 310 Cb 0.58 0.46 0.07 0.00 0.00 0.00 0.00 19.45 20.55 1jx2 n ALA 310 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jx2 s GLY 311 N -2.39 1.89 0.44 0.00 0.00 -1.26 -4.88 107.32 101.13 1jx2 s GLY 311 Ca 0.10 0.39 0.17 0.00 0.00 0.00 0.00 44.72 45.38 1jx2 s GLY 311 CO 0.05 0.73 1.94 -2.55 0.00 0.00 0.00 173.10 173.28 1jx2 h PRO 312 N -0.58 0.35 0.00 2.90 0.11 -1.95 -1.03 132.00 131.80 1jx2 h PRO 312 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jx2 h PRO 312 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jx2 h PRO 312 CO 0.53 0.23 0.00 1.05 -0.21 0.00 0.00 178.00 179.60 1jx2 h GLU 313 N 0.36 0.00 -0.37 1.05 9.09 -1.91 -1.64 114.58 121.15 1jx2 h GLU 313 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 1jx2 h GLU 313 Cb 0.81 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.91 1jx2 h GLU 313 CO -0.09 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.84 1jx2 n SER 314 N -2.91 2.15 -4.07 3.06 3.41 -0.39 -4.76 113.62 110.12 1jx2 n SER 314 Ca -0.02 -1.95 -0.30 0.00 -0.26 0.00 0.00 58.87 56.34 1jx2 n SER 314 Cb 0.11 -0.25 -0.17 0.00 -0.26 0.00 0.00 64.21 63.65 1jx2 n SER 314 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1jx2 s PHE 315 N -1.50 2.23 0.36 7.33 0.40 -0.62 -5.01 117.98 121.17 1jx2 s PHE 315 Ca 0.28 -1.16 0.14 0.00 -0.60 0.00 0.00 56.93 55.59 1jx2 s PHE 315 Cb 0.15 -1.59 1.00 0.00 0.51 0.00 0.00 43.02 43.08 1jx2 s PHE 315 CO 0.20 -0.59 1.75 -0.91 0.70 0.00 0.00 175.22 176.37 1jx2 h ASN 316 N 7.66 0.56 0.08 1.36 2.35 -1.85 0.12 115.58 125.85 1jx2 h ASN 316 Ca -0.35 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1jx2 h ASN 316 Cb 1.16 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1jx2 h ASN 316 CO 0.53 0.09 0.00 -1.22 -1.65 0.00 0.00 177.43 175.18 1jx2 n TYR 317 N -4.76 0.00 -0.02 1.19 0.53 -1.26 -3.50 117.16 109.34 1jx2 n TYR 317 Ca 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.14 1jx2 n TYR 317 Cb 0.82 -0.05 0.00 0.00 -1.03 0.00 0.00 39.34 39.07 1jx2 n TYR 317 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1jx2 n LEU 318 N -1.05 0.01 -1.30 7.72 4.77 0.25 -4.79 117.00 122.61 1jx2 n LEU 318 Ca 0.17 -0.18 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 1jx2 n LEU 318 Cb 0.10 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.49 1jx2 n LEU 318 CO 0.14 0.00 0.79 -0.46 -1.33 0.00 0.00 177.39 176.53 1jx2 n ASN 319 N -0.34 4.42 -0.01 -1.43 0.23 -0.29 -4.60 115.26 113.25 1jx2 n ASN 319 Ca 0.00 -3.07 0.05 0.00 -0.53 0.00 0.00 54.58 51.04 1jx2 n ASN 319 Cb 0.00 -0.61 -0.10 0.00 -2.08 0.00 0.00 39.78 36.99 1jx2 n ASN 319 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jx2 n GLN 320 N -0.20 0.58 0.18 -3.83 6.02 -1.26 -4.58 117.38 114.29 1jx2 n GLN 320 Ca 0.26 -0.11 0.07 0.00 -0.01 0.00 0.00 57.00 57.22 1jx2 n GLN 320 Cb 1.04 -1.31 0.10 0.00 1.02 0.00 0.00 30.24 31.09 1jx2 n GLN 320 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1jx2 h SER 321 N 0.00 0.00 0.00 1.08 4.64 -1.81 -3.46 113.55 114.00 1jx2 h SER 321 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1jx2 h SER 321 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1jx2 h SER 321 CO 0.00 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 1jx2 n GLY 322 N 1.16 0.75 2.77 -0.77 0.00 -1.26 -0.23 105.19 107.62 1jx2 n GLY 322 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1jx2 n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx2 n VAL 324 N 4.65 0.00 -3.94 0.00 0.24 -1.26 -4.69 118.33 113.32 1jx2 n VAL 324 Ca -0.16 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.34 61.58 1jx2 n VAL 324 Cb 0.50 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.86 1jx2 n VAL 324 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1jx2 s ASP 325 N -0.18 0.07 -0.08 -1.34 -4.77 -1.26 -4.99 116.67 104.13 1jx2 s ASP 325 Ca 0.00 -0.83 0.05 0.00 -3.30 0.00 0.00 52.55 48.47 1jx2 s ASP 325 Cb 0.00 0.40 -0.00 0.00 -1.09 0.00 0.00 42.92 42.23 1jx2 s ASP 325 CO 0.00 -0.84 -0.24 -0.63 0.70 0.00 0.00 175.17 174.15 1jx2 s ILE 326 N -3.94 2.06 0.24 2.11 1.01 -1.26 -5.09 121.20 116.32 1jx2 s ILE 326 Ca 0.14 -1.04 -0.31 0.00 0.00 0.00 0.00 60.65 59.45 1jx2 s ILE 326 Cb 0.04 -1.76 -0.11 0.00 0.01 0.00 0.00 42.46 40.64 1jx2 s ILE 326 CO -0.03 0.56 1.59 -0.75 0.00 0.00 0.00 174.94 176.32 1jx2 s LYS 327 N 0.12 4.17 0.00 2.79 2.20 -1.26 -1.76 119.74 126.00 1jx2 s LYS 327 Ca -0.12 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1jx2 s LYS 327 Cb -0.16 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1jx2 s LYS 327 CO 0.07 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1jx2 n GLY 328 N 2.96 2.24 3.53 5.54 0.00 -1.26 -5.01 105.19 113.19 1jx2 n GLY 328 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1jx2 n GLY 328 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jx2 s VAL 329 N -2.61 4.12 -0.42 1.61 1.01 -0.72 -5.08 120.40 118.31 1jx2 s VAL 329 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1jx2 s VAL 329 Cb 0.00 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.62 1jx2 s VAL 329 CO 0.00 0.48 0.28 -0.55 0.00 0.00 0.00 175.10 175.31 1jx2 s SER 330 N 0.41 5.77 0.48 3.32 0.15 -1.26 -4.58 113.70 117.98 1jx2 s SER 330 Ca -0.02 -1.37 0.14 0.00 0.70 0.00 0.00 55.95 55.40 1jx2 s SER 330 Cb -0.14 -2.04 1.13 0.00 -1.71 0.00 0.00 66.02 63.26 1jx2 s SER 330 CO 0.02 -0.53 2.08 0.44 1.20 0.00 0.00 173.24 176.45 1jx2 h ASP 331 N 8.49 0.05 -0.23 5.45 3.45 -1.94 0.18 116.42 131.87 1jx2 h ASP 331 Ca -0.25 -0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.16 1jx2 h ASP 331 Cb 1.09 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 1jx2 h ASP 331 CO 0.77 0.11 -0.07 -1.28 -1.57 0.00 0.00 179.24 177.20 1jx2 h SER 332 N 0.05 0.45 -0.69 6.45 0.87 -1.83 0.08 113.55 118.93 1jx2 h SER 332 Ca 0.01 -0.38 -0.07 0.00 -1.23 0.00 0.00 61.79 60.12 1jx2 h SER 332 Cb 0.12 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1jx2 h SER 332 CO 0.01 0.72 0.15 -0.33 -0.53 0.00 0.00 176.83 176.85 1jx2 h GLU 333 N 0.17 1.13 -0.28 2.24 5.08 -1.74 -2.46 114.58 118.72 1jx2 h GLU 333 Ca 0.06 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1jx2 h GLU 333 Cb 0.53 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1jx2 h GLU 333 CO 0.02 1.01 -0.13 0.93 -1.00 0.00 0.00 179.01 179.85 1jx2 h GLU 334 N 1.06 0.47 -0.81 2.33 4.39 -0.84 -2.47 114.58 118.70 1jx2 h GLU 334 Ca 0.22 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1jx2 h GLU 334 Cb 0.40 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1jx2 h GLU 334 CO 0.01 0.59 0.54 0.35 -1.16 0.00 0.00 179.01 179.33 1jx2 h PHE 335 N 0.43 1.02 -0.64 4.33 3.57 -0.51 0.47 116.94 125.61 1jx2 h PHE 335 Ca 0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1jx2 h PHE 335 Cb 0.48 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1jx2 h PHE 335 CO 0.01 0.64 0.21 0.87 -2.23 0.00 0.00 178.31 177.81 1jx2 h LYS 336 N 1.09 0.97 -0.40 1.11 1.79 -1.24 0.14 116.57 120.02 1jx2 h LYS 336 Ca 0.30 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 1jx2 h LYS 336 Cb -0.12 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.36 1jx2 h LYS 336 CO -0.07 0.82 0.08 0.82 -1.08 0.00 0.00 179.45 180.03 1jx2 h ILE 337 N 0.94 1.23 -0.35 1.86 2.04 -0.95 -0.01 117.51 122.27 1jx2 h ILE 337 Ca 0.21 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1jx2 h ILE 337 Cb 0.25 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1jx2 h ILE 337 CO -0.01 0.28 0.12 0.74 0.00 0.00 0.00 178.15 179.28 1jx2 h THR 338 N 0.50 1.20 -0.71 -0.27 2.02 -0.45 0.84 112.91 116.04 1jx2 h THR 338 Ca 0.12 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1jx2 h THR 338 Cb 0.33 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1jx2 h THR 338 CO 0.00 0.22 0.47 -0.09 0.37 0.00 0.00 175.52 176.50 1jx2 h ARG 339 N 0.42 0.94 -0.68 6.66 2.43 -0.88 -0.44 114.38 122.84 1jx2 h ARG 339 Ca 0.11 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1jx2 h ARG 339 Cb 0.22 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1jx2 h ARG 339 CO -0.01 0.63 0.37 0.37 -1.51 0.00 0.00 179.97 179.82 1jx2 h GLN 340 N 0.97 0.95 -0.78 0.20 -0.00 -0.50 -1.48 115.11 114.47 1jx2 h GLN 340 Ca 0.26 -0.11 -0.04 0.00 -0.00 0.00 0.00 58.65 58.76 1jx2 h GLN 340 Cb -0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.15 1jx2 h GLN 340 CO -0.06 0.71 0.31 0.00 0.00 0.00 0.00 178.83 179.80 1jx2 h ALA 341 N 1.18 1.09 -0.38 3.38 0.00 -0.19 -1.13 119.26 123.21 1jx2 h ALA 341 Ca 0.24 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1jx2 h ALA 341 Cb 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1jx2 h ALA 341 CO -0.04 0.65 -0.11 0.52 0.00 0.00 0.00 179.25 180.27 1jx2 h MET 342 N 1.13 0.67 -0.46 0.00 2.86 -0.63 -1.17 114.93 117.33 1jx2 h MET 342 Ca 0.26 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1jx2 h MET 342 Cb 0.20 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1jx2 h MET 342 CO -0.02 0.76 -0.04 -0.44 1.06 0.00 0.00 176.91 178.23 1jx2 h ASP 343 N 0.61 0.83 -0.30 1.22 3.32 -0.65 -1.11 116.42 120.34 1jx2 h ASP 343 Ca 0.11 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1jx2 h ASP 343 Cb 0.55 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1jx2 h ASP 343 CO 0.03 0.96 0.13 0.40 -1.72 0.00 0.00 179.24 179.05 1jx2 h ILE 344 N 0.69 1.17 0.00 0.35 1.08 -0.98 -2.58 117.51 117.24 1jx2 h ILE 344 Ca 0.13 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 64.07 1jx2 h ILE 344 Cb 0.56 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1jx2 h ILE 344 CO 0.03 0.18 -0.10 0.58 -0.69 0.00 0.00 178.15 178.15 1jx2 h VAL 345 N 0.33 0.33 0.00 1.67 2.07 -1.15 -3.45 116.25 116.05 1jx2 h VAL 345 Ca 0.10 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1jx2 h VAL 345 Cb 0.16 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1jx2 h VAL 345 CO -0.01 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.28 1jx2 n GLY 346 N -0.33 1.11 3.75 2.17 0.00 -0.71 -4.93 105.19 106.26 1jx2 n GLY 346 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1jx2 n GLY 346 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jx2 s PHE 347 N -2.00 3.09 0.99 1.61 0.40 -0.50 -4.99 117.98 116.58 1jx2 s PHE 347 Ca 0.00 1.18 -0.13 0.00 -0.60 0.00 0.00 56.93 57.38 1jx2 s PHE 347 Cb 0.00 -3.72 0.18 0.00 0.51 0.00 0.00 43.02 39.99 1jx2 s PHE 347 CO 0.00 -2.24 1.12 -1.54 0.70 0.00 0.00 175.22 173.25 1jx2 s SER 348 N 0.13 2.79 0.18 1.36 1.04 -1.26 -4.56 113.70 113.39 1jx2 s SER 348 Ca 0.56 1.01 -0.11 0.00 0.48 0.00 0.00 55.95 57.88 1jx2 s SER 348 Cb -0.40 -1.58 0.10 0.00 0.10 0.00 0.00 66.02 64.24 1jx2 s SER 348 CO 0.44 -3.01 1.79 1.56 0.98 0.00 0.00 173.24 175.00 1jx2 h GLN 349 N -1.81 0.91 -0.37 4.02 1.08 -1.99 -0.48 115.11 116.47 1jx2 h GLN 349 Ca -0.52 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 56.48 1jx2 h GLN 349 Cb 1.33 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 1jx2 h GLN 349 CO 0.57 0.71 -0.09 1.49 -0.95 0.00 0.00 178.83 180.56 1jx2 h GLU 350 N 0.89 0.72 -0.94 1.46 4.81 -1.99 -0.90 114.58 118.62 1jx2 h GLU 350 Ca 0.22 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1jx2 h GLU 350 Cb 0.07 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 1jx2 h GLU 350 CO -0.03 0.87 0.62 0.93 -0.73 0.00 0.00 179.01 180.66 1jx2 h GLU 351 N 0.52 1.24 -0.57 1.92 5.08 -1.85 -0.44 114.58 120.49 1jx2 h GLU 351 Ca 0.10 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1jx2 h GLU 351 Cb 0.60 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1jx2 h GLU 351 CO 0.04 0.83 0.03 1.96 -1.00 0.00 0.00 179.01 180.87 1jx2 h GLN 352 N 1.28 0.98 -0.66 2.33 4.20 -0.78 -0.93 115.11 121.52 1jx2 h GLN 352 Ca 0.34 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1jx2 h GLN 352 Cb -0.14 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 1jx2 h GLN 352 CO -0.07 0.97 0.27 1.98 -0.67 0.00 0.00 178.83 181.30 1jx2 h MET 353 N 0.87 0.98 -0.25 1.46 4.05 -0.53 -1.57 114.93 119.94 1jx2 h MET 353 Ca 0.16 -0.17 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1jx2 h MET 353 Cb 0.50 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1jx2 h MET 353 CO 0.02 0.81 -0.11 0.77 0.23 0.00 0.00 176.91 178.64 1jx2 h SER 354 N 0.93 0.38 -0.35 1.39 0.02 -0.77 0.11 113.55 115.26 1jx2 h SER 354 Ca 0.22 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1jx2 h SER 354 Cb 0.19 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1jx2 h SER 354 CO -0.02 0.53 -0.06 0.40 -1.14 0.00 0.00 176.83 176.54 1jx2 h ILE 355 N 0.38 1.27 -0.26 3.27 2.04 -0.66 -1.77 117.51 121.77 1jx2 h ILE 355 Ca 0.07 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.76 1jx2 h ILE 355 Cb 0.43 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1jx2 h ILE 355 CO 0.02 0.36 -0.15 -0.26 0.00 0.00 0.00 178.15 178.12 1jx2 h PHE 356 N 0.45 0.48 -0.50 1.37 0.04 -0.45 -2.03 116.94 116.30 1jx2 h PHE 356 Ca 0.09 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1jx2 h PHE 356 Cb 0.55 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 1jx2 h PHE 356 CO 0.05 0.58 0.19 0.87 -0.60 0.00 0.00 178.31 179.40 1jx2 h LYS 357 N 0.41 0.72 -0.37 1.51 1.57 -0.56 0.22 116.57 120.08 1jx2 h LYS 357 Ca 0.07 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1jx2 h LYS 357 Cb 0.51 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1jx2 h LYS 357 CO 0.03 0.60 -0.40 0.82 -0.57 0.00 0.00 179.45 179.94 1jx2 h ILE 358 N 0.71 1.27 -0.38 1.86 2.04 -0.76 0.17 117.51 122.43 1jx2 h ILE 358 Ca 0.17 -1.57 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 1jx2 h ILE 358 Cb 0.16 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1jx2 h ILE 358 CO -0.01 0.53 0.04 0.40 0.00 0.00 0.00 178.15 179.10 1jx2 h ILE 359 N 0.74 1.25 -0.37 -0.67 1.08 -0.84 -1.52 117.51 117.18 1jx2 h ILE 359 Ca 0.06 -0.92 -0.10 0.00 -0.39 0.00 0.00 64.86 63.51 1jx2 h ILE 359 Cb 0.99 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1jx2 h ILE 359 CO 0.10 0.31 -0.16 0.00 -0.69 0.00 0.00 178.15 177.70 1jx2 h ALA 360 N 0.90 0.52 -1.01 1.87 0.00 -0.90 -2.75 119.26 117.89 1jx2 h ALA 360 Ca 0.11 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1jx2 h ALA 360 Cb 0.41 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1jx2 h ALA 360 CO 0.01 0.44 0.66 0.78 0.00 0.00 0.00 179.25 181.14 1jx2 h GLY 361 N 0.56 1.48 0.98 0.00 0.00 -0.53 -0.34 103.07 105.22 1jx2 h GLY 361 Ca 0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1jx2 h GLY 361 CO 0.05 0.41 0.23 -2.22 0.00 0.00 0.00 176.54 175.02 1jx2 h ILE 362 N 1.26 1.14 -0.93 2.60 2.04 -1.17 -0.47 117.51 121.98 1jx2 h ILE 362 Ca 0.41 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1jx2 h ILE 362 Cb 0.03 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1jx2 h ILE 362 CO -0.13 0.15 0.61 -0.07 0.00 0.00 0.00 178.15 178.70 1jx2 h LEU 363 N 0.53 1.04 -0.76 1.44 4.07 -1.01 -2.09 115.31 118.53 1jx2 h LEU 363 Ca 0.14 -0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.96 1jx2 h LEU 363 Cb 0.03 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1jx2 h LEU 363 CO -0.02 0.73 -0.42 0.45 -1.08 0.00 0.00 178.44 178.10 1jx2 h HIS 364 N 1.22 0.52 -0.72 1.13 3.86 -0.55 -2.65 115.15 117.95 1jx2 h HIS 364 Ca 0.35 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1jx2 h HIS 364 Cb -0.08 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1jx2 h HIS 364 CO -0.01 0.78 0.33 -0.07 0.86 0.00 0.00 177.93 179.83 1jx2 h LEU 365 N 0.36 0.93 -2.32 2.43 3.38 -0.55 -1.70 115.31 117.85 1jx2 h LEU 365 Ca 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1jx2 h LEU 365 Cb 0.89 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1jx2 h LEU 365 CO 0.07 0.80 -0.04 1.23 0.09 0.00 0.00 178.44 180.59 1jx2 h GLY 366 N 1.08 0.00 0.22 0.83 0.00 -1.03 -1.91 103.07 102.26 1jx2 h GLY 366 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1jx2 h GLY 366 CO -0.03 0.00 -0.26 0.70 0.00 0.00 0.00 176.54 176.95 1jx2 n ASN 367 N -3.53 1.04 -4.67 0.19 4.13 -0.65 -4.61 115.26 107.17 1jx2 n ASN 367 Ca -0.02 -0.90 -0.42 0.00 1.68 0.00 0.00 54.58 54.92 1jx2 n ASN 367 Cb 0.15 0.14 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 1jx2 n ASN 367 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1jx2 s ILE 368 N -2.50 3.47 -0.35 2.41 1.01 -0.72 -4.86 121.20 119.66 1jx2 s ILE 368 Ca 0.24 0.68 -0.09 0.00 0.00 0.00 0.00 60.65 61.48 1jx2 s ILE 368 Cb 0.19 -3.44 0.03 0.00 0.01 0.00 0.00 42.46 39.25 1jx2 s ILE 368 CO 0.52 -0.04 0.16 -0.75 0.00 0.00 0.00 174.94 174.83 1jx2 s LYS 369 N 3.60 2.80 0.10 2.79 2.20 -1.26 -5.08 119.74 124.91 1jx2 s LYS 369 Ca 0.73 -1.08 -0.24 0.00 -0.36 0.00 0.00 55.97 55.03 1jx2 s LYS 369 Cb -0.35 -3.60 -0.07 0.00 -1.51 0.00 0.00 37.83 32.30 1jx2 s LYS 369 CO 0.30 -0.65 0.72 -0.06 -0.36 0.00 0.00 175.35 175.30 1jx2 s PHE 370 N 1.50 3.83 0.17 4.03 0.40 -1.26 -4.58 117.98 122.08 1jx2 s PHE 370 Ca 0.01 1.49 0.07 0.00 -0.60 0.00 0.00 56.93 57.90 1jx2 s PHE 370 Cb -0.19 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.58 1jx2 s PHE 370 CO 0.05 0.46 -0.15 -1.21 0.70 0.00 0.00 175.22 175.07 1jx2 s GLU 371 N -0.80 1.23 0.01 0.44 2.02 -0.69 -4.95 118.70 115.96 1jx2 s GLU 371 Ca 0.35 -1.46 -0.30 0.00 0.02 0.00 0.00 54.97 53.57 1jx2 s GLU 371 Cb -0.21 -1.08 -0.06 0.00 0.10 0.00 0.00 34.13 32.87 1jx2 s GLU 371 CO 0.23 0.19 1.50 0.21 0.02 0.00 0.00 175.26 177.42 1jx2 s LYS 372 N -3.25 4.24 0.95 1.61 2.47 -1.26 -0.72 119.74 123.78 1jx2 s LYS 372 Ca 0.18 2.09 -0.16 0.00 -1.56 0.00 0.00 55.97 56.51 1jx2 s LYS 372 Cb -0.02 -3.64 0.22 0.00 -1.46 0.00 0.00 37.83 32.92 1jx2 s LYS 372 CO 0.05 -0.66 1.30 0.41 0.16 0.00 0.00 175.35 176.61 1jx2 n GLY 373 N 3.81 -1.49 0.36 5.54 0.00 -0.46 -4.81 105.19 108.13 1jx2 n GLY 373 Ca 0.14 -1.71 0.19 0.00 0.00 0.00 0.00 46.02 44.64 1jx2 n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx2 h ALA 374 N -1.79 1.91 -3.00 4.61 0.00 -1.95 -3.41 119.26 115.62 1jx2 h ALA 374 Ca -0.42 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1jx2 h ALA 374 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jx2 h ALA 374 CO 0.30 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1jx2 n GLY 375 N -1.36 1.31 0.14 0.00 0.00 -1.26 -5.03 105.19 98.98 1jx2 n GLY 375 Ca 0.26 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 1jx2 n GLY 375 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jx2 n GLU 376 N 0.00 0.74 -1.63 1.61 4.71 -1.26 -4.95 120.64 119.86 1jx2 n GLU 376 Ca 0.00 0.27 -0.37 0.00 -0.01 0.00 0.00 57.16 57.04 1jx2 n GLU 376 Cb 0.00 -1.69 0.06 0.00 -1.01 0.00 0.00 31.44 28.79 1jx2 n GLU 376 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jx2 n GLY 377 N 1.98 -0.20 3.90 0.62 0.00 -1.26 -4.43 105.19 105.80 1jx2 n GLY 377 Ca -0.33 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1jx2 n GLY 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx2 s ALA 378 N -1.51 3.17 0.20 4.61 0.00 0.14 -1.36 121.76 127.02 1jx2 s ALA 378 Ca 0.78 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 1jx2 s ALA 378 Cb -0.40 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1jx2 s ALA 378 CO 0.45 -0.79 0.14 0.14 0.00 0.00 0.00 175.76 175.71 1jx2 s VAL 379 N -3.09 0.00 -0.23 0.00 -7.23 0.10 -4.72 120.40 105.24 1jx2 s VAL 379 Ca 0.54 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1jx2 s VAL 379 Cb -0.11 -2.49 0.07 0.00 0.56 0.00 0.00 36.38 34.41 1jx2 s VAL 379 CO 0.49 0.00 0.00 -0.22 -0.31 0.00 0.00 175.10 175.06 1jx2 s LEU 380 N -3.16 2.00 -0.11 1.32 2.96 -1.26 -1.71 118.68 118.72 1jx2 s LEU 380 Ca 0.38 -1.11 -0.27 0.00 -0.22 0.00 0.00 54.13 52.91 1jx2 s LEU 380 Cb 0.07 -0.91 -0.26 0.00 0.50 0.00 0.00 46.19 45.59 1jx2 s LEU 380 CO 0.12 -0.29 0.85 0.11 -1.32 0.00 0.00 176.35 175.82 1jx2 h LYS 381 N 8.08 0.05 -5.56 1.98 1.57 -1.96 -3.44 116.57 117.29 1jx2 h LYS 381 Ca -0.16 -0.08 -0.59 0.00 -1.87 0.00 0.00 60.65 57.95 1jx2 h LYS 381 Cb 1.08 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.33 1jx2 h LYS 381 CO 0.39 0.98 -0.30 0.34 -0.57 0.00 0.00 179.45 180.30 1jx2 s ASP 382 N -6.28 6.49 0.00 0.86 2.15 -1.26 -4.97 116.67 113.67 1jx2 s ASP 382 Ca -0.18 0.58 0.20 0.00 0.43 0.00 0.00 52.55 53.58 1jx2 s ASP 382 Cb -0.02 -2.20 0.44 0.00 -0.30 0.00 0.00 42.92 40.84 1jx2 s ASP 382 CO 0.71 0.11 1.37 0.29 -0.17 0.00 0.00 175.17 177.48 1jx2 n LYS 383 N 3.43 2.48 0.17 4.34 4.01 -1.26 -4.67 118.16 126.66 1jx2 n LYS 383 Ca -0.12 -2.26 -0.14 0.00 -0.51 0.00 0.00 58.31 55.28 1jx2 n LYS 383 Cb 0.52 -1.46 -0.07 0.00 -0.51 0.00 0.00 35.03 33.51 1jx2 n LYS 383 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1jx2 h THR 384 N 3.77 0.51 -0.24 -0.18 2.02 -1.99 -0.18 112.91 116.63 1jx2 h THR 384 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1jx2 h THR 384 Cb 0.90 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1jx2 h THR 384 CO 0.00 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.94 1jx2 h ALA 385 N 0.18 0.32 -0.75 6.16 0.00 -1.87 -1.15 119.26 122.15 1jx2 h ALA 385 Ca -0.01 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1jx2 h ALA 385 Cb 0.46 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1jx2 h ALA 385 CO -0.04 -0.02 0.40 1.25 0.00 0.00 0.00 179.25 180.84 1jx2 h LEU 386 N 0.20 0.54 -0.22 0.00 7.12 -1.79 0.25 115.31 121.41 1jx2 h LEU 386 Ca 0.07 0.05 -0.21 0.00 0.13 0.00 0.00 57.88 57.93 1jx2 h LEU 386 Cb 0.31 -0.04 0.01 0.00 -0.53 0.00 0.00 40.66 40.40 1jx2 h LEU 386 CO 0.00 0.31 -0.72 0.78 -0.13 0.00 0.00 178.44 178.69 1jx2 h ASN 387 N 0.67 0.92 -0.30 1.25 2.35 -0.87 -0.02 115.58 119.58 1jx2 h ASN 387 Ca 0.37 -0.57 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1jx2 h ASN 387 Cb 0.36 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1jx2 h ASN 387 CO -0.26 1.37 0.19 0.00 -1.65 0.00 0.00 177.43 177.08 1jx2 h ALA 388 N 0.62 0.38 0.04 -0.83 0.00 -0.76 0.15 119.26 118.87 1jx2 h ALA 388 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jx2 h ALA 388 Cb 1.34 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jx2 h ALA 388 CO 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 179.25 179.23 1jx2 h ALA 389 N 1.08 -0.07 -0.33 0.00 0.00 -0.91 -1.85 119.26 117.18 1jx2 h ALA 389 Ca 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jx2 h ALA 389 Cb -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jx2 h ALA 389 CO -0.02 -0.55 0.22 0.77 0.00 0.00 0.00 179.25 179.67 1jx2 h SER 390 N -0.09 0.30 -0.08 0.00 0.02 -0.57 0.16 113.55 113.28 1jx2 h SER 390 Ca 0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1jx2 h SER 390 Cb 0.09 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1jx2 h SER 390 CO -0.02 0.21 -0.23 0.74 -1.14 0.00 0.00 176.83 176.40 1jx2 h THR 391 N 0.35 1.41 0.00 -2.27 2.02 -0.31 -1.22 112.91 112.89 1jx2 h THR 391 Ca 0.13 -1.57 -0.12 0.00 0.77 0.00 0.00 66.41 65.62 1jx2 h THR 391 Cb 0.10 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1jx2 h THR 391 CO -0.03 0.45 -0.59 -0.37 0.37 0.00 0.00 175.52 175.35 1jx2 h VAL 392 N -0.17 1.25 0.00 3.16 -1.51 -0.98 -3.11 116.25 114.89 1jx2 h VAL 392 Ca -0.00 -2.13 -0.12 0.00 -1.23 0.00 0.00 66.70 63.22 1jx2 h VAL 392 Cb 0.84 2.21 -0.02 0.00 -2.13 0.00 0.00 31.29 32.19 1jx2 h VAL 392 CO 0.05 0.57 -0.56 -0.26 -1.23 0.00 0.00 177.57 176.15 1jx2 h PHE 393 N 0.00 0.00 -0.85 5.19 0.05 -1.01 -3.44 116.94 116.88 1jx2 h PHE 393 Ca -0.01 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.75 1jx2 h PHE 393 Cb 1.16 0.00 0.01 0.00 2.00 0.00 0.00 35.95 39.11 1jx2 h PHE 393 CO 0.00 0.56 -0.05 0.41 -0.18 0.00 0.00 178.31 179.05 1jx2 n GLY 394 N 0.78 0.60 3.53 -1.45 0.00 -0.51 -4.34 105.19 103.80 1jx2 n GLY 394 Ca 0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1jx2 n GLY 394 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jx2 s VAL 395 N -2.60 2.01 -0.28 1.61 -7.23 -0.88 -0.79 120.40 112.24 1jx2 s VAL 395 Ca 0.02 -2.13 -0.27 0.00 -1.81 0.00 0.00 61.98 57.79 1jx2 s VAL 395 Cb -0.01 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.24 1jx2 s VAL 395 CO 0.03 -0.16 0.95 0.21 -0.31 0.00 0.00 175.10 175.82 1jx2 s ASN 396 N -3.59 6.88 0.21 4.85 3.04 -1.26 -4.57 114.94 120.49 1jx2 s ASN 396 Ca 0.33 1.01 -0.09 0.00 0.04 0.00 0.00 52.86 54.15 1jx2 s ASN 396 Cb 0.05 -2.49 0.26 0.00 -1.54 0.00 0.00 41.25 37.53 1jx2 s ASN 396 CO 0.16 -0.71 1.77 1.55 -3.04 0.00 0.00 177.10 176.83 1jx2 h PRO 397 N 7.90 0.50 -0.89 0.43 0.13 -1.90 0.19 132.00 138.35 1jx2 h PRO 397 Ca -0.22 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1jx2 h PRO 397 Cb 1.07 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.05 1jx2 h PRO 397 CO 0.96 0.33 0.56 1.03 -0.23 0.00 0.00 178.00 180.65 1jx2 h SER 398 N 0.52 1.06 0.01 1.44 0.87 -1.97 0.20 113.55 115.66 1jx2 h SER 398 Ca 0.30 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.63 1jx2 h SER 398 Cb 0.30 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1jx2 h SER 398 CO -0.25 0.79 -0.62 0.58 -0.53 0.00 0.00 176.83 176.81 1jx2 h VAL 399 N 1.22 1.32 -0.15 2.23 2.07 -1.79 -2.53 116.25 118.62 1jx2 h VAL 399 Ca 0.32 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 1jx2 h VAL 399 Cb -0.08 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1jx2 h VAL 399 CO -0.06 0.59 0.04 0.25 0.02 0.00 0.00 177.57 178.40 1jx2 h LEU 400 N 0.44 0.23 -0.55 2.57 5.85 0.06 -1.23 115.31 122.69 1jx2 h LEU 400 Ca -0.01 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1jx2 h LEU 400 Cb 1.19 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 1jx2 h LEU 400 CO 0.12 0.40 0.19 -0.08 -0.34 0.00 0.00 178.44 178.73 1jx2 h GLU 401 N 0.05 0.35 0.00 1.25 4.81 -0.62 -1.53 114.58 118.89 1jx2 h GLU 401 Ca 0.05 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1jx2 h GLU 401 Cb 0.26 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1jx2 h GLU 401 CO 0.00 0.23 -0.47 0.87 -0.73 0.00 0.00 179.01 178.91 1jx2 h LYS 402 N 0.36 0.00 0.00 1.92 1.79 -1.28 -2.54 116.57 116.81 1jx2 h LYS 402 Ca 0.27 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.66 1jx2 h LYS 402 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1jx2 h LYS 402 CO -0.29 0.47 -0.41 0.00 -1.08 0.00 0.00 179.45 178.15 1jx2 h ALA 403 N 1.53 1.00 0.14 3.86 0.00 -0.29 0.14 119.26 125.65 1jx2 h ALA 403 Ca -0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.30 1jx2 h ALA 403 Cb 0.99 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1jx2 h ALA 403 CO 0.06 0.51 -1.09 -0.07 0.00 0.00 0.00 179.25 178.66 1jx2 h LEU 404 N 0.00 0.48 0.00 0.00 3.38 -1.05 -3.33 115.31 114.79 1jx2 h LEU 404 Ca -0.00 -0.92 -0.06 0.00 0.09 0.00 0.00 57.88 56.99 1jx2 h LEU 404 Cb 0.92 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1jx2 h LEU 404 CO 0.05 1.50 -2.04 0.23 0.09 0.00 0.00 178.44 178.27 1jx2 n MET 405 N -4.01 0.66 -2.83 1.13 2.81 -0.98 -4.61 117.12 109.28 1jx2 n MET 405 Ca -0.18 -0.17 -0.17 0.00 -1.81 0.00 0.00 57.70 55.37 1jx2 n MET 405 Cb 0.88 -1.53 -0.00 0.00 -0.71 0.00 0.00 33.22 31.86 1jx2 n MET 405 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1jx2 n GLU 406 N -2.34 1.73 -1.91 0.03 1.02 0.48 0.19 120.64 119.84 1jx2 n GLU 406 Ca -0.08 -3.70 -0.40 0.00 -0.02 0.00 0.00 57.16 52.95 1jx2 n GLU 406 Cb 0.66 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1jx2 n GLU 406 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1jx2 s PRO 407 N -3.02 3.92 -0.09 3.49 0.04 -1.17 -4.37 135.00 133.80 1jx2 s PRO 407 Ca 0.37 2.35 -0.20 0.00 0.04 0.00 0.00 61.00 63.56 1jx2 s PRO 407 Cb 0.39 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1jx2 s PRO 407 CO -0.06 -0.60 0.57 1.03 0.04 0.00 0.00 177.00 177.98 1jx2 s ARG 408 N -2.25 4.37 -0.01 4.56 0.52 -1.26 -1.14 118.95 123.74 1jx2 s ARG 408 Ca 0.57 0.63 0.05 0.00 -0.52 0.00 0.00 55.73 56.46 1jx2 s ARG 408 Cb -0.42 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.59 1jx2 s ARG 408 CO 0.55 0.14 -0.17 0.42 0.02 0.00 0.00 175.30 176.26 1jx2 s ILE 409 N 0.63 2.83 -0.01 1.52 1.01 -0.13 -4.76 121.20 122.29 1jx2 s ILE 409 Ca 0.31 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1jx2 s ILE 409 Cb -0.16 -2.12 -0.06 0.00 0.01 0.00 0.00 42.46 40.12 1jx2 s ILE 409 CO 0.14 0.50 1.57 -0.76 0.00 0.00 0.00 174.94 176.38 1jx2 s LEU 410 N -0.97 4.32 -0.73 2.97 1.43 -1.26 -1.36 118.68 123.09 1jx2 s LEU 410 Ca 0.12 2.24 0.04 0.00 -1.03 0.00 0.00 54.13 55.50 1jx2 s LEU 410 Cb -0.10 -3.55 0.24 0.00 0.03 0.00 0.00 46.19 42.81 1jx2 s LEU 410 CO 0.02 -0.85 0.82 0.00 0.23 0.00 0.00 176.35 176.57 1jx2 n ALA 411 N 6.21 4.12 0.00 4.21 0.00 0.15 -4.94 120.51 130.26 1jx2 n ALA 411 Ca 0.16 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.86 1jx2 n ALA 411 Cb 0.42 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1jx2 n ALA 411 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jx2 n GLY 412 N 1.18 2.07 0.00 0.00 0.00 -1.26 -3.24 105.19 103.94 1jx2 n GLY 412 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1jx2 n GLY 412 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jx2 n ARG 413 N 0.00 0.52 -4.27 1.61 1.74 -1.26 -5.07 116.66 109.93 1jx2 n ARG 413 Ca 0.00 -0.60 -0.23 0.00 -0.77 0.00 0.00 57.85 56.26 1jx2 n ARG 413 Cb 0.00 -0.68 -0.12 0.00 -1.02 0.00 0.00 32.46 30.64 1jx2 n ARG 413 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jx2 s ASP 414 N -0.22 2.39 -0.30 0.55 1.11 -1.20 -5.12 116.67 113.88 1jx2 s ASP 414 Ca 0.00 -0.69 -0.13 0.00 0.18 0.00 0.00 52.55 51.91 1jx2 s ASP 414 Cb 0.00 -0.12 -0.04 0.00 1.07 0.00 0.00 42.92 43.83 1jx2 s ASP 414 CO 0.00 0.02 0.28 -0.76 1.18 0.00 0.00 175.17 175.89 1jx2 s LEU 415 N -1.96 4.17 -0.13 1.23 1.43 -1.26 0.33 118.68 122.48 1jx2 s LEU 415 Ca 0.06 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1jx2 s LEU 415 Cb -0.09 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 1jx2 s LEU 415 CO 0.04 -0.16 -0.05 0.54 0.23 0.00 0.00 176.35 176.95 1jx2 s VAL 416 N 1.88 3.77 -0.28 -1.59 0.11 -0.46 -4.87 120.40 118.96 1jx2 s VAL 416 Ca 0.10 -0.42 -0.29 0.00 -2.93 0.00 0.00 61.98 58.44 1jx2 s VAL 416 Cb -0.16 -2.62 -0.00 0.00 -1.53 0.00 0.00 36.38 32.07 1jx2 s VAL 416 CO 0.11 0.53 1.35 0.00 -3.33 0.00 0.00 175.10 173.76 1jx2 s ALA 417 N 0.02 3.36 -0.61 1.54 0.00 -1.26 -0.96 121.76 123.86 1jx2 s ALA 417 Ca -0.00 0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 1jx2 s ALA 417 Cb -0.13 -3.78 0.10 0.00 0.00 0.00 0.00 23.12 19.30 1jx2 s ALA 417 CO 0.03 -1.78 0.76 -0.65 0.00 0.00 0.00 175.76 174.12 1jx2 s GLN 418 N 4.22 3.06 -0.19 0.00 -1.52 -0.29 -4.97 119.66 119.96 1jx2 s GLN 418 Ca 0.59 -1.23 -0.29 0.00 -1.95 0.00 0.00 55.36 52.48 1jx2 s GLN 418 Cb -0.18 -4.26 -0.03 0.00 -0.22 0.00 0.00 33.01 28.32 1jx2 s GLN 418 CO 0.24 -1.60 1.57 -1.58 -0.25 0.00 0.00 175.29 173.67 1jx2 s HIS 419 N 2.96 2.18 0.21 0.91 2.46 -1.26 -3.71 115.29 119.04 1jx2 s HIS 419 Ca 0.14 0.55 -0.13 0.00 0.47 0.00 0.00 55.06 56.09 1jx2 s HIS 419 Cb -0.23 -3.92 -0.07 0.00 -0.13 0.00 0.00 32.58 28.23 1jx2 s HIS 419 CO 0.07 -2.91 0.58 -0.51 -2.47 0.00 0.00 174.74 169.50 1jx2 s LEU 420 N 4.82 4.23 0.00 8.88 1.43 0.13 -4.68 118.68 133.49 1jx2 s LEU 420 Ca 0.69 1.05 -0.06 0.00 -1.03 0.00 0.00 54.13 54.78 1jx2 s LEU 420 Cb -0.25 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.50 1jx2 s LEU 420 CO 0.28 -0.01 0.40 -0.46 0.23 0.00 0.00 176.35 176.79 1jx2 n ASN 421 N 0.26 -0.74 0.48 2.29 0.23 -1.26 -0.68 115.26 115.84 1jx2 n ASN 421 Ca -0.02 -0.92 -0.19 0.00 -0.53 0.00 0.00 54.58 52.92 1jx2 n ASN 421 Cb 0.52 -0.34 -0.09 0.00 -2.08 0.00 0.00 39.78 37.79 1jx2 n ASN 421 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1jx2 h VAL 422 N -1.62 0.03 -0.64 3.53 2.07 -1.88 -1.64 116.25 116.10 1jx2 h VAL 422 Ca -0.14 -0.08 0.13 0.00 0.82 0.00 0.00 66.70 67.43 1jx2 h VAL 422 Cb 0.41 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 1jx2 h VAL 422 CO 0.10 0.00 0.14 -0.08 0.02 0.00 0.00 177.57 177.75 1jx2 h GLU 423 N -1.30 0.25 -0.16 1.57 4.22 -1.95 0.14 114.58 117.35 1jx2 h GLU 423 Ca -0.13 -0.02 -0.16 0.00 0.08 0.00 0.00 59.36 59.14 1jx2 h GLU 423 Cb 0.94 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1jx2 h GLU 423 CO 0.21 0.17 -0.56 0.87 -2.18 0.00 0.00 179.01 177.52 1jx2 h LYS 424 N 0.26 0.49 -0.14 1.92 1.57 -1.92 -1.16 116.57 117.58 1jx2 h LYS 424 Ca 0.34 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1jx2 h LYS 424 Cb 0.53 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1jx2 h LYS 424 CO -0.43 0.91 0.02 0.77 -0.57 0.00 0.00 179.45 180.15 1jx2 h SER 425 N 0.37 0.24 -0.97 0.86 0.02 -0.56 -0.59 113.55 112.91 1jx2 h SER 425 Ca 0.00 -0.28 0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1jx2 h SER 425 Cb 1.09 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.51 1jx2 h SER 425 CO 0.10 0.45 0.63 -1.28 -1.14 0.00 0.00 176.83 175.60 1jx2 h SER 426 N 0.01 1.05 0.00 3.07 0.87 -0.67 0.27 113.55 118.15 1jx2 h SER 426 Ca 0.04 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 1jx2 h SER 426 Cb 0.32 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1jx2 h SER 426 CO 0.00 0.71 -0.37 0.28 -0.53 0.00 0.00 176.83 176.93 1jx2 h SER 427 N 1.22 0.51 -0.26 6.23 0.02 -1.01 -1.73 113.55 118.53 1jx2 h SER 427 Ca 0.39 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1jx2 h SER 427 Cb 0.02 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1jx2 h SER 427 CO -0.13 0.84 -0.20 -1.28 -1.14 0.00 0.00 176.83 174.92 1jx2 h SER 428 N 0.41 0.73 -0.44 3.07 0.87 -0.00 -0.77 113.55 117.42 1jx2 h SER 428 Ca 0.04 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1jx2 h SER 428 Cb 0.83 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1jx2 h SER 428 CO 0.07 0.92 0.21 -0.09 -0.53 0.00 0.00 176.83 177.41 1jx2 h ARG 429 N 0.64 0.64 -0.60 2.24 1.12 -0.62 -1.24 114.38 116.55 1jx2 h ARG 429 Ca 0.09 -0.09 -0.05 0.00 -1.11 0.00 0.00 59.98 58.82 1jx2 h ARG 429 Cb 0.69 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.51 1jx2 h ARG 429 CO 0.05 0.54 0.19 -0.44 -3.11 0.00 0.00 179.97 177.20 1jx2 h ASP 430 N 0.57 0.84 -0.64 -3.80 3.32 -0.98 -0.82 116.42 114.92 1jx2 h ASP 430 Ca 0.15 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1jx2 h ASP 430 Cb 0.12 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1jx2 h ASP 430 CO -0.02 0.79 0.07 0.00 -1.72 0.00 0.00 179.24 178.37 1jx2 h ALA 431 N 1.32 0.86 -0.55 3.45 0.00 -0.82 0.49 119.26 124.01 1jx2 h ALA 431 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1jx2 h ALA 431 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1jx2 h ALA 431 CO -0.01 0.65 0.23 1.25 0.00 0.00 0.00 179.25 181.37 1jx2 h LEU 432 N 1.00 0.75 0.16 0.00 5.85 -0.71 -0.41 115.31 121.94 1jx2 h LEU 432 Ca 0.19 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1jx2 h LEU 432 Cb 0.48 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1jx2 h LEU 432 CO 0.02 0.70 -0.08 0.58 -0.34 0.00 0.00 178.44 179.32 1jx2 h VAL 433 N 0.75 0.83 -0.76 1.05 2.07 -0.70 0.26 116.25 119.75 1jx2 h VAL 433 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 1jx2 h VAL 433 Cb 0.18 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1jx2 h VAL 433 CO -0.02 0.00 0.37 0.11 0.02 0.00 0.00 177.57 178.06 1jx2 h LYS 434 N -0.23 1.08 -0.58 1.57 1.57 -0.77 -0.52 116.57 118.70 1jx2 h LYS 434 Ca -0.02 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1jx2 h LYS 434 Cb 0.18 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1jx2 h LYS 434 CO 0.03 0.84 0.26 0.00 -0.57 0.00 0.00 179.45 180.01 1jx2 h ALA 435 N 1.19 0.76 -0.65 3.86 0.00 -0.90 0.25 119.26 123.76 1jx2 h ALA 435 Ca 0.26 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jx2 h ALA 435 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1jx2 h ALA 435 CO -0.03 0.34 0.16 -0.07 0.00 0.00 0.00 179.25 179.65 1jx2 h LEU 436 N 0.80 0.96 -0.09 0.00 3.38 -0.48 -0.96 115.31 118.92 1jx2 h LEU 436 Ca 0.20 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1jx2 h LEU 436 Cb 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1jx2 h LEU 436 CO -0.02 0.92 -0.39 0.22 0.09 0.00 0.00 178.44 179.26 1jx2 h TYR 437 N 0.97 0.57 -0.51 1.13 5.03 -0.55 -0.94 116.97 122.68 1jx2 h TYR 437 Ca 0.21 -0.24 0.01 0.00 2.58 0.00 0.00 58.73 61.29 1jx2 h TYR 437 Cb 0.34 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.50 1jx2 h TYR 437 CO 0.02 0.99 0.32 0.78 -1.32 0.00 0.00 178.16 178.96 1jx2 h GLY 438 N -0.02 0.71 1.17 1.82 0.00 -0.50 -0.51 103.07 105.75 1jx2 h GLY 438 Ca -0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1jx2 h GLY 438 CO 0.08 0.23 -0.16 3.21 0.00 0.00 0.00 176.54 179.90 1jx2 h ARG 439 N 0.64 0.96 -0.35 4.80 3.08 -1.15 -1.62 114.38 120.73 1jx2 h ARG 439 Ca 0.19 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 59.89 1jx2 h ARG 439 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1jx2 h ARG 439 CO -0.07 1.04 0.21 1.25 -1.07 0.00 0.00 179.97 181.33 1jx2 h LEU 440 N 0.84 0.34 -0.26 3.04 5.85 -0.85 0.17 115.31 124.44 1jx2 h LEU 440 Ca 0.12 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1jx2 h LEU 440 Cb 0.71 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1jx2 h LEU 440 CO 0.05 0.25 0.16 0.15 -0.34 0.00 0.00 178.44 178.71 1jx2 h PHE 441 N 0.42 0.30 -0.65 1.25 3.04 -0.80 0.54 116.94 121.03 1jx2 h PHE 441 Ca 0.14 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.10 1jx2 h PHE 441 Cb -0.00 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 1jx2 h PHE 441 CO -0.07 0.18 0.43 -0.07 -2.02 0.00 0.00 178.31 176.76 1jx2 h LEU 442 N 0.32 0.75 -0.52 0.59 3.38 -0.93 -1.79 115.31 117.12 1jx2 h LEU 442 Ca 0.10 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1jx2 h LEU 442 Cb -0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1jx2 h LEU 442 CO -0.04 0.55 0.10 -0.25 0.09 0.00 0.00 178.44 178.90 1jx2 h TRP 443 N 0.89 0.89 -0.31 1.13 7.01 0.54 -1.33 115.95 124.78 1jx2 h TRP 443 Ca 0.24 -0.12 0.01 0.00 2.11 0.00 0.00 58.89 61.13 1jx2 h TRP 443 Cb -0.10 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.70 1jx2 h TRP 443 CO 0.00 0.80 0.19 -0.07 -2.79 0.00 0.00 178.44 176.57 1jx2 h LEU 444 N 0.73 0.32 -0.23 0.65 3.38 -0.14 -0.74 115.31 119.28 1jx2 h LEU 444 Ca 0.16 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1jx2 h LEU 444 Cb 0.37 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1jx2 h LEU 444 CO 0.01 0.23 0.06 0.58 0.09 0.00 0.00 178.44 179.41 1jx2 h VAL 445 N 0.39 0.92 -0.86 1.22 2.07 -1.24 -0.68 116.25 118.07 1jx2 h VAL 445 Ca 0.12 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1jx2 h VAL 445 Cb -0.02 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1jx2 h VAL 445 CO -0.04 0.03 0.57 0.50 0.02 0.00 0.00 177.57 178.65 1jx2 h LYS 446 N 0.16 1.11 -0.43 1.57 3.64 -0.90 0.15 116.57 121.87 1jx2 h LYS 446 Ca 0.10 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1jx2 h LYS 446 Cb 0.09 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1jx2 h LYS 446 CO -0.12 0.74 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.43 1jx2 h LYS 447 N 1.15 0.85 -0.36 1.90 1.63 -0.72 0.16 116.57 121.18 1jx2 h LYS 447 Ca 0.32 -0.34 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 1jx2 h LYS 447 Cb -0.10 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 1jx2 h LYS 447 CO -0.08 0.98 0.04 0.82 -3.45 0.00 0.00 179.45 177.76 1jx2 h ILE 448 N 0.68 1.25 -0.33 2.00 2.04 -0.47 -2.51 117.51 120.16 1jx2 h ILE 448 Ca 0.10 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 1jx2 h ILE 448 Cb 0.69 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1jx2 h ILE 448 CO 0.05 0.30 0.01 0.78 0.00 0.00 0.00 178.15 179.29 1jx2 h ASN 449 N 0.44 0.48 -0.85 1.72 2.35 -0.54 0.52 115.58 119.70 1jx2 h ASN 449 Ca 0.11 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1jx2 h ASN 449 Cb 0.40 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1jx2 h ASN 449 CO 0.01 0.54 0.52 0.78 -1.65 0.00 0.00 177.43 177.63 1jx2 h ASN 450 N 0.49 1.01 0.43 5.81 -0.26 -0.55 0.34 115.58 122.86 1jx2 h ASN 450 Ca 0.11 -0.05 -0.30 0.00 -0.56 0.00 0.00 56.30 55.49 1jx2 h ASN 450 Cb 0.31 -0.25 0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1jx2 h ASN 450 CO 0.01 0.77 -1.33 0.58 -1.06 0.00 0.00 177.43 176.40 1jx2 h VAL 451 N 1.17 1.39 0.05 2.81 2.07 -1.04 -3.40 116.25 119.30 1jx2 h VAL 451 Ca 0.31 -2.84 -0.36 0.00 0.82 0.00 0.00 66.70 64.62 1jx2 h VAL 451 Cb -0.07 2.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.60 1jx2 h VAL 451 CO -0.06 0.84 -2.16 0.18 0.02 0.00 0.00 177.57 176.39 1jx2 n LEU 452 N -3.64 2.08 -4.72 2.57 4.77 0.12 -4.95 117.00 113.23 1jx2 n LEU 452 Ca -0.12 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1jx2 n LEU 452 Cb 1.05 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1jx2 n LEU 452 CO 0.57 0.75 0.86 0.00 -1.33 0.00 0.00 177.39 178.25 1jx2 s GLN 454 N 0.75 3.46 0.49 0.00 0.74 -1.26 -4.85 119.66 118.99 1jx2 s GLN 454 Ca 0.57 -0.59 0.25 0.00 0.05 0.00 0.00 55.36 55.64 1jx2 s GLN 454 Cb -0.29 -3.05 1.32 0.00 1.10 0.00 0.00 33.01 32.08 1jx2 s GLN 454 CO 0.31 -0.14 1.90 1.05 -0.55 0.00 0.00 175.29 177.85 1jx2 h GLU 455 N 7.96 0.15 -4.95 1.67 4.11 -1.98 -3.38 114.58 118.16 1jx2 h GLU 455 Ca -0.39 -0.01 -0.67 0.00 0.07 0.00 0.00 59.36 58.36 1jx2 h GLU 455 Cb 1.17 -0.03 -0.32 0.00 0.50 0.00 0.00 28.75 30.07 1jx2 h GLU 455 CO 0.60 0.10 -0.76 1.03 0.07 0.00 0.00 179.01 180.05 1jx2 s ARG 456 N -5.15 2.97 -0.04 1.06 0.52 -1.26 -5.09 118.95 111.96 1jx2 s ARG 456 Ca -0.06 -0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 54.23 1jx2 s ARG 456 Cb 0.22 -2.93 0.01 0.00 0.52 0.00 0.00 34.95 32.77 1jx2 s ARG 456 CO 0.77 -0.33 0.11 -1.59 0.02 0.00 0.00 175.30 174.28 1jx2 s LYS 457 N 1.35 0.15 0.04 3.54 0.00 -1.26 -5.04 119.74 118.52 1jx2 s LYS 457 Ca 0.02 0.10 -0.23 0.00 0.00 0.00 0.00 55.97 55.86 1jx2 s LYS 457 Cb -0.16 0.07 -0.15 0.00 0.00 0.00 0.00 37.83 37.59 1jx2 s LYS 457 CO -0.06 -0.02 1.48 0.00 0.00 0.00 0.00 175.35 176.75 1jx2 h ALA 458 N 5.85 0.10 -2.86 0.59 0.00 -1.69 -3.48 119.26 117.77 1jx2 h ALA 458 Ca -0.25 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1jx2 h ALA 458 Cb 1.20 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1jx2 h ALA 458 CO 0.44 -0.23 -0.19 0.71 0.00 0.00 0.00 179.25 179.98 1jx2 s TYR 459 N -5.02 0.78 0.17 0.00 1.51 -1.11 -4.97 117.35 108.72 1jx2 s TYR 459 Ca -0.14 -1.08 -0.15 0.00 -1.01 0.00 0.00 57.07 54.69 1jx2 s TYR 459 Cb 0.05 0.01 0.02 0.00 -0.11 0.00 0.00 41.96 41.92 1jx2 s TYR 459 CO 0.69 -1.06 0.42 -0.59 -1.11 0.00 0.00 175.55 173.90 1jx2 s PHE 460 N -3.47 0.01 -0.16 2.71 -0.71 -1.26 -0.76 117.98 114.33 1jx2 s PHE 460 Ca 0.28 -0.36 -0.00 0.00 -1.04 0.00 0.00 56.93 55.81 1jx2 s PHE 460 Cb 0.00 0.22 0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1jx2 s PHE 460 CO 0.15 -0.80 -0.08 0.42 -1.34 0.00 0.00 175.22 173.57 1jx2 s ILE 461 N -3.88 1.25 -0.13 -4.49 1.01 -0.32 -1.77 121.20 112.86 1jx2 s ILE 461 Ca 0.10 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 1jx2 s ILE 461 Cb 0.01 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1jx2 s ILE 461 CO -0.04 0.22 0.08 -0.83 0.00 0.00 0.00 174.94 174.37 1jx2 s GLY 462 N 1.59 2.01 -0.18 6.18 0.00 0.65 -0.96 107.32 116.60 1jx2 s GLY 462 Ca 0.02 -0.71 -0.00 0.00 0.00 0.00 0.00 44.72 44.02 1jx2 s GLY 462 CO -0.08 -0.29 -0.15 0.14 0.00 0.00 0.00 173.10 172.71 1jx2 s VAL 463 N -0.56 2.54 -0.27 1.40 1.01 0.15 0.16 120.40 124.82 1jx2 s VAL 463 Ca 0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1jx2 s VAL 463 Cb -0.12 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1jx2 s VAL 463 CO 0.02 0.51 0.16 -0.22 0.00 0.00 0.00 175.10 175.57 1jx2 s LEU 464 N 1.13 3.88 -0.52 3.92 2.96 0.09 -0.98 118.68 129.17 1jx2 s LEU 464 Ca 0.01 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1jx2 s LEU 464 Cb -0.14 -2.07 0.13 0.00 0.50 0.00 0.00 46.19 44.61 1jx2 s LEU 464 CO -0.06 -0.04 0.27 -0.62 -1.32 0.00 0.00 176.35 174.58 1jx2 s ASP 465 N 1.68 4.27 0.07 3.68 3.68 0.65 -2.02 116.67 128.69 1jx2 s ASP 465 Ca 0.07 -3.01 0.01 0.00 2.13 0.00 0.00 52.55 51.75 1jx2 s ASP 465 Cb -0.16 -1.59 -0.04 0.00 -1.45 0.00 0.00 42.92 39.68 1jx2 s ASP 465 CO 0.09 -0.23 -0.06 -0.51 0.13 0.00 0.00 175.17 174.59 1jx2 s ILE 466 N -0.28 0.55 0.53 4.11 2.07 -1.26 -1.58 121.20 125.33 1jx2 s ILE 466 Ca 0.17 -1.71 -0.21 0.00 -1.41 0.00 0.00 60.65 57.49 1jx2 s ILE 466 Cb -0.25 -1.39 -0.05 0.00 0.13 0.00 0.00 42.46 40.89 1jx2 s ILE 466 CO -0.00 -0.79 1.23 -0.55 -1.91 0.00 0.00 174.94 172.91 1jx2 s SER 467 N -2.68 5.61 0.44 4.50 0.15 -1.26 -4.60 113.70 115.85 1jx2 s SER 467 Ca 0.06 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.16 1jx2 s SER 467 Cb 0.02 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1jx2 s SER 467 CO -0.05 -1.31 0.00 0.61 1.20 0.00 0.00 173.24 173.69 1jx2 n GLY 468 N 0.53 -0.89 3.73 9.45 0.00 -1.21 -4.88 105.19 111.91 1jx2 n GLY 468 Ca 0.10 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1jx2 n GLY 468 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jx2 n PHE 469 N -0.88 2.57 -3.91 1.61 3.72 -1.26 -4.88 117.46 114.44 1jx2 n PHE 469 Ca 0.00 0.46 -0.35 0.00 -0.05 0.00 0.00 57.45 57.51 1jx2 n PHE 469 Cb 0.00 -2.48 -0.14 0.00 -0.94 0.00 0.00 39.48 35.92 1jx2 n PHE 469 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1jx2 s GLU 470 N -1.60 3.20 -0.45 -1.08 2.02 -1.26 -5.02 118.70 114.52 1jx2 s GLU 470 Ca 0.57 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.85 1jx2 s GLU 470 Cb -0.54 -3.02 0.14 0.00 0.10 0.00 0.00 34.13 30.81 1jx2 s GLU 470 CO 0.59 -0.27 0.25 0.42 0.02 0.00 0.00 175.26 176.27 1jx2 s ILE 471 N 1.44 1.49 0.57 -1.63 1.01 -1.26 -4.92 121.20 117.89 1jx2 s ILE 471 Ca 0.04 -2.64 0.09 0.00 0.00 0.00 0.00 60.65 58.14 1jx2 s ILE 471 Cb -0.15 -2.04 0.08 0.00 0.01 0.00 0.00 42.46 40.35 1jx2 s ILE 471 CO -0.04 -0.90 0.72 -0.36 0.00 0.00 0.00 174.94 174.36 1jx2 s PHE 472 N 0.27 1.46 0.18 3.97 0.08 -1.26 -5.01 117.98 117.67 1jx2 s PHE 472 Ca 0.18 -0.74 -0.07 0.00 0.12 0.00 0.00 56.93 56.41 1jx2 s PHE 472 Cb -0.23 -2.15 0.08 0.00 -0.57 0.00 0.00 43.02 40.14 1jx2 s PHE 472 CO -0.00 -1.02 1.56 -0.22 -0.10 0.00 0.00 175.22 175.44 1jx2 h LYS 473 N 0.29 0.86 -5.06 0.44 1.63 -1.99 -3.40 116.57 109.34 1jx2 h LYS 473 Ca -0.31 -0.39 -0.65 0.00 -0.85 0.00 0.00 60.65 58.45 1jx2 h LYS 473 Cb 1.29 -0.02 -0.26 0.00 -0.60 0.00 0.00 32.23 32.65 1jx2 h LYS 473 CO 0.44 1.03 -0.70 0.08 -3.45 0.00 0.00 179.45 176.85 1jx2 s VAL 474 N -4.52 3.58 -0.10 2.00 1.01 -1.26 -4.95 120.40 116.16 1jx2 s VAL 474 Ca -0.10 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1jx2 s VAL 474 Cb 0.12 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1jx2 s VAL 474 CO 0.86 0.43 -0.14 0.20 0.00 0.00 0.00 175.10 176.45 1jx2 s ASN 475 N 1.24 2.29 0.00 3.32 0.01 -1.25 -5.04 114.94 115.51 1jx2 s ASN 475 Ca 0.03 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1jx2 s ASN 475 Cb -0.14 -1.01 0.00 0.00 0.41 0.00 0.00 41.25 40.51 1jx2 s ASN 475 CO -0.00 -0.00 0.00 -0.24 -1.51 0.00 0.00 177.10 175.34 1jx2 n SER 476 N 4.25 1.53 -0.23 -1.22 2.88 -1.26 -0.44 113.62 119.13 1jx2 n SER 476 Ca -0.19 -0.27 0.03 0.00 -1.33 0.00 0.00 58.87 57.12 1jx2 n SER 476 Cb 0.51 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.13 1jx2 n SER 476 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1jx2 h PHE 477 N 0.21 0.39 -0.52 0.66 3.57 -1.91 -1.71 116.94 117.63 1jx2 h PHE 477 Ca 0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1jx2 h PHE 477 Cb 0.00 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 1jx2 h PHE 477 CO 0.00 0.03 0.14 0.93 -2.23 0.00 0.00 178.31 177.17 1jx2 h GLU 478 N 0.37 0.28 -0.55 1.11 3.07 -1.99 -0.69 114.58 116.18 1jx2 h GLU 478 Ca 0.38 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 1jx2 h GLU 478 Cb 0.56 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1jx2 h GLU 478 CO -0.40 0.19 0.28 1.96 -1.40 0.00 0.00 179.01 179.63 1jx2 h GLN 479 N 0.29 0.76 -0.64 2.33 7.50 -1.70 -1.18 115.11 122.47 1jx2 h GLN 479 Ca 0.26 -0.08 -0.08 0.00 0.50 0.00 0.00 58.65 59.24 1jx2 h GLN 479 Cb 0.33 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.68 1jx2 h GLN 479 CO -0.31 0.58 0.08 1.25 -1.50 0.00 0.00 178.83 178.93 1jx2 h LEU 480 N 0.77 1.02 -0.18 1.46 5.85 -0.68 0.12 115.31 123.67 1jx2 h LEU 480 Ca 0.19 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1jx2 h LEU 480 Cb 0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1jx2 h LEU 480 CO -0.03 1.03 0.06 0.00 -0.34 0.00 0.00 178.44 179.16 1jx2 h ILE 482 N 0.13 1.31 -0.17 0.00 6.09 -1.11 -0.60 117.51 123.16 1jx2 h ILE 482 Ca 0.06 -1.54 -0.20 0.00 -1.37 0.00 0.00 64.86 61.82 1jx2 h ILE 482 Cb 0.21 1.66 0.00 0.00 0.47 0.00 0.00 36.82 39.16 1jx2 h ILE 482 CO -0.00 0.46 -0.69 0.78 -3.07 0.00 0.00 178.15 175.63 1jx2 h ASN 483 N 0.26 0.80 -0.70 2.19 2.35 -0.49 -1.57 115.58 118.42 1jx2 h ASN 483 Ca 0.02 -0.49 0.01 0.00 -0.55 0.00 0.00 56.30 55.29 1jx2 h ASN 483 Cb 0.84 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.94 1jx2 h ASN 483 CO 0.07 1.26 0.46 0.22 -1.65 0.00 0.00 177.43 177.79 1jx2 h TYR 484 N 0.49 0.88 -0.39 1.19 3.20 -0.41 -0.27 116.97 121.65 1jx2 h TYR 484 Ca -0.03 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1jx2 h TYR 484 Cb 1.29 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 1jx2 h TYR 484 CO 0.07 0.55 0.23 1.15 -1.64 0.00 0.00 178.16 178.52 1jx2 h THR 485 N 0.94 1.05 0.00 1.81 2.02 -0.79 -2.05 112.91 115.89 1jx2 h THR 485 Ca 0.26 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1jx2 h THR 485 Cb -0.10 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1jx2 h THR 485 CO -0.06 0.09 -0.12 0.78 0.37 0.00 0.00 175.52 176.58 1jx2 h ASN 486 N 0.47 0.00 -0.47 4.18 2.35 -0.72 -1.16 115.58 120.24 1jx2 h ASN 486 Ca 0.15 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1jx2 h ASN 486 Cb -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1jx2 h ASN 486 CO -0.07 0.12 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.46 1jx2 h GLU 487 N 0.00 0.86 -0.43 0.81 4.39 -0.36 -0.59 114.58 119.26 1jx2 h GLU 487 Ca -0.00 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.33 1jx2 h GLU 487 Cb 0.59 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1jx2 h GLU 487 CO 0.02 0.92 -0.02 0.87 -1.16 0.00 0.00 179.01 179.64 1jx2 h LYS 488 N 0.71 0.77 -0.42 2.33 1.79 -1.01 -0.85 116.57 119.90 1jx2 h LYS 488 Ca 0.13 -0.25 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 1jx2 h LYS 488 Cb 0.56 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1jx2 h LYS 488 CO 0.03 0.85 -0.15 -0.07 -1.08 0.00 0.00 179.45 179.03 1jx2 h LEU 489 N 0.60 0.77 -0.39 2.94 3.38 -1.10 0.21 115.31 121.72 1jx2 h LEU 489 Ca 0.12 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.68 1jx2 h LEU 489 Cb 0.51 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jx2 h LEU 489 CO 0.03 0.93 -0.45 -0.61 0.09 0.00 0.00 178.44 178.42 1jx2 h GLN 490 N 0.69 0.87 -0.63 1.13 5.75 -1.04 -1.37 115.11 120.51 1jx2 h GLN 490 Ca 0.11 -0.49 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 1jx2 h GLN 490 Cb 0.64 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 1jx2 h GLN 490 CO 0.04 1.13 0.40 0.37 -2.65 0.00 0.00 178.83 178.13 1jx2 h GLN 491 N 0.69 0.84 -0.47 1.69 4.15 -0.85 -0.89 115.11 120.27 1jx2 h GLN 491 Ca 0.04 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.43 1jx2 h GLN 491 Cb 1.04 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 1jx2 h GLN 491 CO 0.10 0.58 0.27 0.35 -1.93 0.00 0.00 178.83 178.20 1jx2 h PHE 492 N 0.85 0.50 0.06 3.99 3.04 -0.70 -1.35 116.94 123.32 1jx2 h PHE 492 Ca 0.23 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 1jx2 h PHE 492 Cb -0.07 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.29 1jx2 h PHE 492 CO -0.02 0.28 -0.03 0.35 -2.02 0.00 0.00 178.31 176.86 1jx2 h PHE 493 N 0.53 -0.07 -0.41 0.41 3.04 -0.77 -1.51 116.94 118.16 1jx2 h PHE 493 Ca 0.20 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.20 1jx2 h PHE 493 Cb 0.05 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.53 1jx2 h PHE 493 CO -0.08 0.12 0.11 -0.91 -2.02 0.00 0.00 178.31 175.54 1jx2 h ASN 494 N -0.25 0.08 -0.67 0.41 2.35 -1.04 -1.17 115.58 115.28 1jx2 h ASN 494 Ca -0.01 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1jx2 h ASN 494 Cb 0.22 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1jx2 h ASN 494 CO 0.01 0.08 0.34 -0.74 -1.65 0.00 0.00 177.43 175.47 1jx2 h HIS 495 N 0.26 0.97 -0.52 1.19 2.76 -1.23 0.25 115.15 118.84 1jx2 h HIS 495 Ca 0.20 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1jx2 h HIS 495 Cb 0.21 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1jx2 h HIS 495 CO -0.18 0.70 0.25 1.25 -1.30 0.00 0.00 177.93 178.65 1jx2 h HIS 496 N 0.98 0.76 -0.65 5.26 -0.00 -0.33 -0.43 115.15 120.73 1jx2 h HIS 496 Ca 0.24 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1jx2 h HIS 496 Cb 0.09 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.23 1jx2 h HIS 496 CO 0.01 0.60 0.41 0.52 -0.00 0.00 0.00 177.93 179.46 1jx2 h MET 497 N 0.70 0.88 0.03 5.26 2.07 -0.61 -0.60 114.93 122.67 1jx2 h MET 497 Ca 0.18 -0.07 0.03 0.00 -2.07 0.00 0.00 59.70 57.76 1jx2 h MET 497 Cb 0.13 -0.19 -0.04 0.00 -1.87 0.00 0.00 31.60 29.62 1jx2 h MET 497 CO -0.02 0.62 -0.26 0.35 1.07 0.00 0.00 176.91 178.66 1jx2 h PHE 498 N 0.89 -0.71 -0.89 -0.22 3.57 -0.41 -1.07 116.94 118.10 1jx2 h PHE 498 Ca 0.24 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1jx2 h PHE 498 Cb -0.05 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1jx2 h PHE 498 CO -0.02 -0.36 0.58 0.87 -2.23 0.00 0.00 178.31 177.15 1jx2 h LYS 499 N -0.42 1.09 -0.63 1.11 1.57 -0.61 0.13 116.57 118.81 1jx2 h LYS 499 Ca 0.05 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1jx2 h LYS 499 Cb 0.49 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1jx2 h LYS 499 CO -0.21 0.72 0.27 -0.07 -0.57 0.00 0.00 179.45 179.59 1jx2 h LEU 500 N 1.12 0.84 -0.20 2.94 3.38 -0.75 0.88 115.31 123.53 1jx2 h LEU 500 Ca 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1jx2 h LEU 500 Cb -0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1jx2 h LEU 500 CO -0.11 0.77 0.00 -0.08 0.09 0.00 0.00 178.44 179.10 1jx2 h GLU 501 N 0.87 0.35 -0.88 1.13 4.57 -0.69 -1.72 114.58 118.22 1jx2 h GLU 501 Ca 0.21 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1jx2 h GLU 501 Cb 0.17 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1jx2 h GLU 501 CO -0.02 0.55 0.51 0.37 -1.18 0.00 0.00 179.01 179.24 1jx2 h GLN 502 N 0.11 1.21 -0.61 1.92 4.15 -0.49 -1.57 115.11 119.83 1jx2 h GLN 502 Ca 0.06 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 1jx2 h GLN 502 Cb 0.39 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1jx2 h GLN 502 CO 0.01 0.87 0.00 1.49 -1.93 0.00 0.00 178.83 179.27 1jx2 h GLU 503 N 1.22 1.07 -0.23 1.69 4.81 -0.67 -2.17 114.58 120.30 1jx2 h GLU 503 Ca 0.31 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1jx2 h GLU 503 Cb -0.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1jx2 h GLU 503 CO -0.05 1.04 0.01 1.49 -0.73 0.00 0.00 179.01 180.76 1jx2 h GLU 504 N 0.97 0.40 -0.75 1.92 4.57 -0.87 -0.25 114.58 120.58 1jx2 h GLU 504 Ca 0.17 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1jx2 h GLU 504 Cb 0.55 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 1jx2 h GLU 504 CO 0.03 0.58 0.40 1.88 -1.18 0.00 0.00 179.01 180.72 1jx2 h TYR 505 N 0.17 1.03 -0.04 0.92 0.99 -1.27 -0.11 116.97 118.67 1jx2 h TYR 505 Ca 0.07 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1jx2 h TYR 505 Cb 0.39 -0.33 -0.00 0.00 1.00 0.00 0.00 36.73 37.79 1jx2 h TYR 505 CO 0.03 0.72 -0.01 1.25 -0.00 0.00 0.00 178.16 180.15 1jx2 h LEU 506 N 1.05 0.07 -1.20 3.88 5.85 -1.24 0.44 115.31 124.17 1jx2 h LEU 506 Ca 0.26 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1jx2 h LEU 506 Cb 0.04 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1jx2 h LEU 506 CO -0.04 0.44 0.36 0.50 -0.34 0.00 0.00 178.44 179.35 1jx2 h LYS 507 N -0.29 0.91 -0.01 1.25 3.64 -0.81 -2.35 116.57 118.92 1jx2 h LYS 507 Ca 0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1jx2 h LYS 507 Cb 0.40 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1jx2 h LYS 507 CO 0.00 0.67 -0.22 0.39 -2.27 0.00 0.00 179.45 178.02 1jx2 n GLU 508 N -4.37 0.80 -2.94 1.90 -0.58 -0.07 -4.83 120.64 110.54 1jx2 n GLU 508 Ca 0.06 -0.43 -0.11 0.00 -0.42 0.00 0.00 57.16 56.26 1jx2 n GLU 508 Cb 0.10 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.53 1jx2 n GLU 508 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1jx2 n LYS 509 N -0.72 -4.13 -3.96 3.49 4.01 0.26 -1.94 118.16 115.18 1jx2 n LYS 509 Ca 0.13 0.49 -0.35 0.00 -0.51 0.00 0.00 58.31 58.06 1jx2 n LYS 509 Cb 0.33 -4.45 -0.12 0.00 -0.51 0.00 0.00 35.03 30.29 1jx2 n LYS 509 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1jx2 s ILE 510 N -3.20 4.32 -0.93 -0.18 -1.09 0.13 -4.88 121.20 115.37 1jx2 s ILE 510 Ca 0.13 -0.19 -0.20 0.00 -2.23 0.00 0.00 60.65 58.17 1jx2 s ILE 510 Cb -0.06 -2.97 0.11 0.00 -1.58 0.00 0.00 42.46 37.96 1jx2 s ILE 510 CO 0.42 0.40 1.19 0.21 -1.23 0.00 0.00 174.94 175.93 1jx2 s ASN 511 N 1.04 6.56 -0.21 3.58 3.04 -1.26 -4.50 114.94 123.20 1jx2 s ASN 511 Ca 0.03 -1.82 -0.11 0.00 0.04 0.00 0.00 52.86 50.99 1jx2 s ASN 511 Cb -0.14 -2.44 0.07 0.00 -1.54 0.00 0.00 41.25 37.19 1jx2 s ASN 511 CO 0.03 -1.20 0.50 0.86 -3.04 0.00 0.00 177.10 174.25 1jx2 s TRP 512 N 3.32 -0.76 -0.16 0.43 -0.11 -1.26 -5.15 118.94 115.26 1jx2 s TRP 512 Ca 0.35 1.57 0.01 0.00 1.22 0.00 0.00 56.10 59.25 1jx2 s TRP 512 Cb -0.05 0.39 0.01 0.00 -1.50 0.00 0.00 33.47 32.32 1jx2 s TRP 512 CO -0.08 -0.41 -0.19 0.99 -4.62 0.00 0.00 176.95 172.65 1jx2 s THR 513 N 1.48 2.31 0.19 5.86 2.01 -1.26 -5.01 115.64 121.23 1jx2 s THR 513 Ca -0.10 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 1jx2 s THR 513 Cb -0.07 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1jx2 s THR 513 CO -0.15 0.53 0.38 -0.36 -0.69 0.00 0.00 174.62 174.33 1jx2 s PHE 514 N 0.96 3.48 -0.01 4.92 0.08 -1.26 -5.07 117.98 121.08 1jx2 s PHE 514 Ca -0.03 0.33 -0.27 0.00 0.12 0.00 0.00 56.93 57.07 1jx2 s PHE 514 Cb -0.15 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 1jx2 s PHE 514 CO -0.04 0.40 0.86 0.42 -0.10 0.00 0.00 175.22 176.76 1jx2 s ILE 515 N -1.85 4.88 -0.47 0.64 1.01 -1.26 -4.91 121.20 119.24 1jx2 s ILE 515 Ca 0.38 1.81 -0.44 0.00 0.00 0.00 0.00 60.65 62.40 1jx2 s ILE 515 Cb -0.11 -4.21 -0.19 0.00 0.01 0.00 0.00 42.46 37.97 1jx2 s ILE 515 CO 0.29 0.23 1.91 -0.67 0.00 0.00 0.00 174.94 176.70 1jx2 n ASP 516 N 3.65 1.16 -0.11 3.58 4.64 -1.26 -4.80 116.55 123.40 1jx2 n ASP 516 Ca 0.02 0.88 0.16 0.00 -1.38 0.00 0.00 54.79 54.48 1jx2 n ASP 516 Cb 0.51 -0.94 0.55 0.00 -1.04 0.00 0.00 41.12 40.20 1jx2 n ASP 516 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 1jx2 h PHE 517 N 7.64 0.36 0.00 -0.67 0.05 -1.91 -2.04 116.94 120.37 1jx2 h PHE 517 Ca -0.27 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.53 1jx2 h PHE 517 Cb 1.39 -0.11 0.00 0.00 2.00 0.00 0.00 35.95 39.22 1jx2 h PHE 517 CO 0.84 0.14 0.00 0.41 -0.18 0.00 0.00 178.31 179.52 1jx2 n GLY 518 N -1.55 -1.56 0.29 -1.45 0.00 -1.26 -3.63 105.19 96.03 1jx2 n GLY 518 Ca 0.13 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.33 1jx2 n GLY 518 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jx2 h LEU 519 N 0.00 0.00 -0.10 0.99 4.07 -1.73 -2.34 115.31 116.20 1jx2 h LEU 519 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jx2 h LEU 519 Cb 0.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1jx2 h LEU 519 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.83 1jx2 n ASP 520 N -2.92 0.43 0.02 -0.43 8.00 -1.24 -3.27 116.55 117.15 1jx2 n ASP 520 Ca -0.02 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.15 1jx2 n ASP 520 Cb 0.12 -0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 40.44 1jx2 n ASP 520 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1jx2 n SER 521 N -1.92 0.27 -0.34 -2.24 7.64 -0.88 -4.49 113.62 111.67 1jx2 n SER 521 Ca 0.05 0.04 0.07 0.00 1.01 0.00 0.00 58.87 60.04 1jx2 n SER 521 Cb 0.34 1.52 0.23 0.00 -1.01 0.00 0.00 64.21 65.29 1jx2 n SER 521 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1jx2 h GLN 522 N 0.00 0.86 -0.09 1.43 5.75 -1.64 -2.14 115.11 119.28 1jx2 h GLN 522 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1jx2 h GLN 522 Cb 0.97 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.32 1jx2 h GLN 522 CO 0.00 0.57 0.06 0.00 -2.65 0.00 0.00 178.83 176.80 1jx2 h ALA 523 N 1.53 0.11 -0.64 3.38 0.00 -1.79 0.96 119.26 122.82 1jx2 h ALA 523 Ca 0.48 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.30 1jx2 h ALA 523 Cb 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1jx2 h ALA 523 CO -0.28 -0.40 0.08 1.15 0.00 0.00 0.00 179.25 179.80 1jx2 h THR 524 N 0.11 1.26 -0.51 0.00 2.02 -1.76 -1.65 112.91 112.39 1jx2 h THR 524 Ca 0.03 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 1jx2 h THR 524 Cb -0.01 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1jx2 h THR 524 CO -0.01 0.39 0.20 0.40 0.37 0.00 0.00 175.52 176.87 1jx2 h ILE 525 N 0.99 1.22 -0.52 3.11 2.04 -1.14 -2.58 117.51 120.62 1jx2 h ILE 525 Ca 0.19 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1jx2 h ILE 525 Cb 0.45 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1jx2 h ILE 525 CO 0.02 0.26 0.13 0.44 0.00 0.00 0.00 178.15 178.99 1jx2 h ASP 526 N 0.68 0.79 -0.77 1.72 3.45 -0.63 0.12 116.42 121.79 1jx2 h ASP 526 Ca 0.17 -0.23 0.13 0.00 0.43 0.00 0.00 57.03 57.53 1jx2 h ASP 526 Cb 0.21 -0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 38.72 1jx2 h ASP 526 CO -0.01 0.81 0.51 0.25 -1.57 0.00 0.00 179.24 179.23 1jx2 h LEU 527 N 0.73 0.49 0.00 1.55 5.85 -1.10 0.26 115.31 123.09 1jx2 h LEU 527 Ca 0.17 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1jx2 h LEU 527 Cb 0.33 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1jx2 h LEU 527 CO 0.00 0.27 -0.27 0.40 -0.34 0.00 0.00 178.44 178.50 1jx2 h ILE 528 N 0.53 0.29 -0.52 4.05 2.04 -1.01 0.11 117.51 123.00 1jx2 h ILE 528 Ca 0.37 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1jx2 h ILE 528 Cb 0.71 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1jx2 h ILE 528 CO -0.13 0.10 0.00 -0.90 0.00 0.00 0.00 178.15 177.21 1jx2 n ASP 529 N -4.68 3.42 -4.77 1.72 5.68 0.36 -1.55 116.55 116.74 1jx2 n ASP 529 Ca -0.06 -1.98 -0.40 0.00 -0.50 0.00 0.00 54.79 51.86 1jx2 n ASP 529 Cb 0.20 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1jx2 n ASP 529 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1jx2 s GLY 530 N -1.05 2.92 -0.20 6.12 0.00 0.92 -4.84 107.32 111.19 1jx2 s GLY 530 Ca 0.36 1.31 -0.15 0.00 0.00 0.00 0.00 44.72 46.25 1jx2 s GLY 530 CO 0.25 1.90 0.12 0.54 0.00 0.00 0.00 173.10 175.91 1jx2 n ARG 531 N 0.01 0.63 -3.40 2.90 5.12 -1.26 0.02 116.66 120.68 1jx2 n ARG 531 Ca 0.04 0.41 -0.11 0.00 -1.93 0.00 0.00 57.85 56.26 1jx2 n ARG 531 Cb 0.43 -1.67 -0.09 0.00 -1.16 0.00 0.00 32.46 29.96 1jx2 n ARG 531 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1jx2 s GLN 532 N -2.45 0.31 0.51 5.56 -0.21 -1.26 -2.19 119.66 119.93 1jx2 s GLN 532 Ca -0.29 0.47 -0.23 0.00 0.02 0.00 0.00 55.36 55.32 1jx2 s GLN 532 Cb 0.08 -0.64 -0.06 0.00 1.00 0.00 0.00 33.01 33.39 1jx2 s GLN 532 CO 0.62 -0.63 1.33 -1.25 -2.12 0.00 0.00 175.29 173.24 1jx2 s PRO 533 N 2.49 3.36 0.21 2.91 0.04 -1.26 -5.09 135.00 137.66 1jx2 s PRO 533 Ca 0.11 2.17 -0.31 0.00 0.04 0.00 0.00 61.00 63.01 1jx2 s PRO 533 Cb -0.15 -2.36 -0.11 0.00 0.04 0.00 0.00 34.50 31.92 1jx2 s PRO 533 CO -0.15 -1.00 1.63 -1.25 0.04 0.00 0.00 177.00 176.27 1jx2 s PRO 534 N -2.78 4.16 0.00 0.56 0.04 -0.93 -4.66 135.00 131.40 1jx2 s PRO 534 Ca 0.68 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.22 1jx2 s PRO 534 Cb -0.39 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1jx2 s PRO 534 CO 0.47 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1jx2 n GLY 535 N 3.40 1.04 0.24 0.56 0.00 0.10 -4.85 105.19 105.69 1jx2 n GLY 535 Ca 0.13 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1jx2 n GLY 535 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jx2 h ILE 536 N -0.21 0.54 -0.65 -0.61 2.04 -0.57 -1.92 117.51 116.12 1jx2 h ILE 536 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1jx2 h ILE 536 Cb 0.00 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 1jx2 h ILE 536 CO 0.00 0.00 0.35 -0.07 0.00 0.00 0.00 178.15 178.43 1jx2 h LEU 537 N -0.41 0.51 -0.75 1.44 3.38 -1.55 0.14 115.31 118.07 1jx2 h LEU 537 Ca 0.02 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1jx2 h LEU 537 Cb 0.41 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1jx2 h LEU 537 CO -0.09 0.33 0.35 0.00 0.09 0.00 0.00 178.44 179.11 1jx2 h ALA 538 N 1.35 0.97 -0.15 1.53 0.00 -1.74 0.80 119.26 122.01 1jx2 h ALA 538 Ca 0.30 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1jx2 h ALA 538 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jx2 h ALA 538 CO -0.19 0.54 -0.47 -0.07 0.00 0.00 0.00 179.25 179.06 1jx2 h LEU 539 N 1.06 0.41 -0.18 0.00 3.38 -0.75 -1.14 115.31 118.09 1jx2 h LEU 539 Ca 0.26 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1jx2 h LEU 539 Cb 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1jx2 h LEU 539 CO -0.03 0.82 -0.03 0.25 0.09 0.00 0.00 178.44 179.54 1jx2 h LEU 540 N 0.31 0.34 -0.28 1.67 5.85 -0.24 -0.79 115.31 122.16 1jx2 h LEU 540 Ca 0.02 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1jx2 h LEU 540 Cb 0.94 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1jx2 h LEU 540 CO 0.08 0.61 0.16 0.44 -0.34 0.00 0.00 178.44 179.39 1jx2 h ASP 541 N 0.07 0.26 -0.23 1.25 3.45 -0.74 0.39 116.42 120.87 1jx2 h ASP 541 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1jx2 h ASP 541 Cb 0.45 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1jx2 h ASP 541 CO 0.02 0.19 0.15 -0.08 -1.57 0.00 0.00 179.24 177.94 1jx2 h GLU 542 N 0.33 0.31 0.00 3.56 4.81 -1.17 -2.05 114.58 120.37 1jx2 h GLU 542 Ca 0.11 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1jx2 h GLU 542 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1jx2 h GLU 542 CO -0.05 0.22 -0.27 0.37 -0.73 0.00 0.00 179.01 178.55 1jx2 h GLN 543 N 0.30 0.00 0.00 1.92 5.75 -0.89 -2.39 115.11 119.80 1jx2 h GLN 543 Ca 0.08 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1jx2 h GLN 543 Cb -0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1jx2 h GLN 543 CO -0.02 0.27 0.00 0.77 -2.65 0.00 0.00 178.83 177.21 1jx2 h SER 544 N 0.00 0.00 -0.21 -0.69 0.02 0.49 -2.41 113.55 110.75 1jx2 h SER 544 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jx2 h SER 544 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1jx2 h SER 544 CO 0.04 0.00 0.00 0.55 -1.14 0.00 0.00 176.83 176.28 1jx2 n VAL 545 N -3.03 0.49 -2.63 2.27 3.14 -0.96 -4.98 118.33 112.62 1jx2 n VAL 545 Ca 0.01 -0.75 -0.40 0.00 -2.96 0.00 0.00 64.34 60.24 1jx2 n VAL 545 Cb 0.32 0.89 -0.05 0.00 -1.06 0.00 0.00 33.84 33.94 1jx2 n VAL 545 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1jx2 s PHE 546 N -1.05 3.81 0.00 1.45 5.36 -0.91 -5.01 117.98 121.63 1jx2 s PHE 546 Ca 0.21 1.82 0.00 0.00 -0.96 0.00 0.00 56.93 58.01 1jx2 s PHE 546 Cb 0.13 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 1jx2 s PHE 546 CO 0.17 0.03 0.02 -2.30 -1.46 0.00 0.00 175.22 171.68 1jx2 n PRO 547 N 1.33 0.00 -1.71 10.12 -0.02 -1.26 -3.40 135.00 140.06 1jx2 n PRO 547 Ca -0.01 0.02 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 1jx2 n PRO 547 Cb 0.46 -0.46 0.05 0.00 -0.02 0.00 0.00 33.50 33.54 1jx2 n PRO 547 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jx2 n ASN 548 N -0.04 7.45 -4.78 2.55 3.02 -1.26 -5.01 115.26 117.20 1jx2 n ASN 548 Ca 0.00 -3.81 -0.37 0.00 -0.03 0.00 0.00 54.58 50.37 1jx2 n ASN 548 Cb 0.00 -1.00 -0.04 0.00 -0.61 0.00 0.00 39.78 38.13 1jx2 n ASN 548 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jx2 s ALA 549 N -3.95 3.13 0.36 5.41 0.00 -1.22 -5.04 121.76 120.46 1jx2 s ALA 549 Ca 0.57 0.72 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1jx2 s ALA 549 Cb 0.47 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1jx2 s ALA 549 CO -0.24 -0.20 0.11 0.95 0.00 0.00 0.00 175.76 176.39 1jx2 s THR 550 N -1.58 0.73 0.47 0.00 -4.23 -1.26 -5.00 115.64 104.76 1jx2 s THR 550 Ca 0.56 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.25 1jx2 s THR 550 Cb -0.23 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.33 1jx2 s THR 550 CO 0.29 0.00 2.06 0.44 -0.54 0.00 0.00 174.62 176.88 1jx2 h ASP 551 N 1.98 0.00 -0.06 3.99 3.32 -1.97 -0.64 116.42 123.04 1jx2 h ASP 551 Ca -0.37 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.52 1jx2 h ASP 551 Cb 1.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.82 1jx2 h ASP 551 CO 0.60 0.12 -0.59 0.78 -1.72 0.00 0.00 179.24 178.43 1jx2 h ASN 552 N 0.00 0.62 0.10 6.45 4.21 -1.95 -1.43 115.58 123.58 1jx2 h ASN 552 Ca -0.00 -0.69 -0.04 0.00 1.21 0.00 0.00 56.30 56.77 1jx2 h ASN 552 Cb 0.23 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 1jx2 h ASN 552 CO 0.02 1.22 -0.15 0.71 -1.29 0.00 0.00 177.43 177.93 1jx2 h THR 553 N 0.08 1.16 0.62 2.81 1.35 -1.84 0.77 112.91 117.85 1jx2 h THR 553 Ca -0.06 -0.71 -0.03 0.00 -0.55 0.00 0.00 66.41 65.07 1jx2 h THR 553 Cb 1.26 1.27 0.01 0.00 -1.73 0.00 0.00 68.15 68.96 1jx2 h THR 553 CO 0.12 0.21 -0.30 0.25 -0.25 0.00 0.00 175.52 175.55 1jx2 h LEU 554 N 0.11 -0.71 -1.11 3.87 5.85 -0.97 -0.94 115.31 121.42 1jx2 h LEU 554 Ca 0.02 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.89 1jx2 h LEU 554 Cb 0.35 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 1jx2 h LEU 554 CO 0.02 -0.39 0.61 -0.29 -0.34 0.00 0.00 178.44 178.06 1jx2 h ILE 555 N -1.08 0.92 -0.81 4.05 6.09 -1.12 0.28 117.51 125.84 1jx2 h ILE 555 Ca -0.09 -0.31 0.01 0.00 -1.37 0.00 0.00 64.86 63.10 1jx2 h ILE 555 Cb 0.64 -0.08 -0.04 0.00 0.47 0.00 0.00 36.82 37.81 1jx2 h ILE 555 CO 0.14 0.17 0.53 0.74 -3.07 0.00 0.00 178.15 176.66 1jx2 h THR 556 N 0.92 1.21 -0.47 2.19 2.02 -0.80 -1.15 112.91 116.84 1jx2 h THR 556 Ca 0.47 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 1jx2 h THR 556 Cb 0.51 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1jx2 h THR 556 CO -0.23 0.21 -0.06 0.50 0.37 0.00 0.00 175.52 176.31 1jx2 h LYS 557 N 1.10 0.87 -0.10 6.66 3.64 0.45 -1.41 116.57 127.78 1jx2 h LYS 557 Ca 0.30 -0.31 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1jx2 h LYS 557 Cb -0.11 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1jx2 h LYS 557 CO -0.06 0.94 0.02 -0.07 -2.27 0.00 0.00 179.45 178.01 1jx2 h LEU 558 N 0.72 0.01 -0.75 5.20 3.38 -0.73 -1.19 115.31 121.94 1jx2 h LEU 558 Ca 0.13 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1jx2 h LEU 558 Cb 0.59 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1jx2 h LEU 558 CO 0.04 0.02 0.47 0.45 0.09 0.00 0.00 178.44 179.51 1jx2 h HIS 559 N 0.07 0.88 0.00 1.13 3.86 -1.16 -0.40 115.15 119.52 1jx2 h HIS 559 Ca 0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1jx2 h HIS 559 Cb 0.04 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 1jx2 h HIS 559 CO -0.11 0.49 -0.03 1.03 0.86 0.00 0.00 177.93 180.17 1jx2 h SER 560 N 0.90 0.00 0.05 2.45 0.87 -0.55 0.50 113.55 117.78 1jx2 h SER 560 Ca 0.31 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.54 1jx2 h SER 560 Cb 0.05 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 1jx2 h SER 560 CO -0.12 0.03 -2.29 1.41 -0.53 0.00 0.00 176.83 175.33 1jx2 n HIS 561 N -3.51 0.10 0.00 2.24 -0.00 -0.52 -4.78 115.22 108.74 1jx2 n HIS 561 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1jx2 n HIS 561 Cb 0.12 -0.97 0.00 0.00 -0.00 0.00 0.00 29.99 29.14 1jx2 n HIS 561 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1jx2 n PHE 562 N -2.73 0.00 -1.69 4.41 3.01 -0.25 -4.78 117.46 115.42 1jx2 n PHE 562 Ca -0.29 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.75 1jx2 n PHE 562 Cb 1.10 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.54 1jx2 n PHE 562 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1jx2 s SER 563 N -1.16 6.45 -1.64 4.37 0.15 0.15 -0.95 113.70 121.08 1jx2 s SER 563 Ca 0.00 2.67 0.00 0.00 0.70 0.00 0.00 55.95 59.32 1jx2 s SER 563 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1jx2 s SER 563 CO 0.00 -1.04 0.00 0.29 1.20 0.00 0.00 173.24 173.69 1jx2 n LYS 564 N 7.28 -1.54 0.00 5.44 5.02 -1.26 -4.73 118.16 128.37 1jx2 n LYS 564 Ca 0.19 1.04 0.00 0.00 -2.02 0.00 0.00 58.31 57.53 1jx2 n LYS 564 Cb 0.41 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1jx2 n LYS 564 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jx2 n LYS 565 N -1.63 1.21 -4.24 1.97 5.02 -0.12 -4.99 118.16 115.38 1jx2 n LYS 565 Ca -0.15 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.87 1jx2 n LYS 565 Cb 0.62 -0.90 -0.17 0.00 -0.02 0.00 0.00 35.03 34.57 1jx2 n LYS 565 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1jx2 s ASN 566 N -1.60 2.14 0.40 4.39 2.47 -0.62 -5.00 114.94 117.12 1jx2 s ASN 566 Ca 0.00 -0.34 0.28 0.00 0.42 0.00 0.00 52.86 53.22 1jx2 s ASN 566 Cb 0.00 -0.91 1.42 0.00 -1.45 0.00 0.00 41.25 40.31 1jx2 s ASN 566 CO 0.00 -0.04 1.86 0.00 -3.72 0.00 0.00 177.10 175.20 1jx2 h ALA 567 N 7.63 1.00 -0.02 1.71 0.00 -1.94 -1.54 119.26 126.11 1jx2 h ALA 567 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jx2 h ALA 567 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1jx2 h ALA 567 CO 0.46 0.00 -0.36 1.63 0.00 0.00 0.00 179.25 180.98 1jx2 n LYS 568 N -2.51 1.31 -4.18 0.00 4.76 -1.26 -4.91 118.16 111.36 1jx2 n LYS 568 Ca -0.01 -1.03 -0.31 0.00 -2.87 0.00 0.00 58.31 54.10 1jx2 n LYS 568 Cb 0.11 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 31.74 1jx2 n LYS 568 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1jx2 s TYR 569 N -2.40 2.98 -0.12 2.13 5.04 -0.58 -0.70 117.35 123.70 1jx2 s TYR 569 Ca 0.22 -0.02 -0.05 0.00 -2.44 0.00 0.00 57.07 54.78 1jx2 s TYR 569 Cb 0.19 -1.56 0.06 0.00 0.35 0.00 0.00 41.96 40.99 1jx2 s TYR 569 CO 0.52 0.47 0.27 -2.00 -1.34 0.00 0.00 175.55 173.47 1jx2 s GLU 570 N -2.11 0.20 -0.21 4.97 2.12 -0.89 -4.67 118.70 118.10 1jx2 s GLU 570 Ca 0.24 0.66 -0.22 0.00 0.36 0.00 0.00 54.97 56.01 1jx2 s GLU 570 Cb -0.12 -0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 1jx2 s GLU 570 CO 0.16 -0.22 0.69 -2.00 -0.54 0.00 0.00 175.26 173.35 1jx2 s GLU 571 N 1.82 4.20 0.89 4.30 2.12 -1.26 -0.36 118.70 130.40 1jx2 s GLU 571 Ca -0.05 0.70 -0.11 0.00 0.36 0.00 0.00 54.97 55.87 1jx2 s GLU 571 Cb -0.11 -3.60 0.11 0.00 0.26 0.00 0.00 34.13 30.79 1jx2 s GLU 571 CO -0.09 -0.33 1.04 -0.35 -0.54 0.00 0.00 175.26 174.99 1jx2 n PRO 572 N 5.37 -0.25 -0.08 4.30 -0.04 -1.26 -4.95 135.00 138.07 1jx2 n PRO 572 Ca 0.01 -0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1jx2 n PRO 572 Cb 0.49 -2.31 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 1jx2 n PRO 572 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1jx2 h ARG 573 N -1.56 0.85 0.00 0.54 2.43 -1.98 -3.42 114.38 111.24 1jx2 h ARG 573 Ca -0.44 -0.52 -0.09 0.00 -0.81 0.00 0.00 59.98 58.12 1jx2 h ARG 573 Cb 1.28 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1jx2 h ARG 573 CO 0.41 1.16 -1.23 1.19 -1.51 0.00 0.00 179.97 179.99 1jx2 n PHE 574 N -4.06 0.00 -1.61 2.20 3.01 -1.26 -5.04 117.46 110.70 1jx2 n PHE 574 Ca -0.04 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 57.93 1jx2 n PHE 574 Cb 0.60 -0.20 -0.04 0.00 -0.01 0.00 0.00 39.48 39.82 1jx2 n PHE 574 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1jx2 n SER 575 N -3.30 1.95 -0.79 4.37 2.88 -1.26 -4.89 113.62 112.58 1jx2 n SER 575 Ca -0.11 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.64 1jx2 n SER 575 Cb 0.54 -1.28 0.13 0.00 -0.75 0.00 0.00 64.21 62.86 1jx2 n SER 575 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jx2 n LYS 576 N 2.30 1.89 -0.01 -1.46 4.76 -1.26 -4.41 118.16 119.97 1jx2 n LYS 576 Ca 0.16 -1.82 0.01 0.00 -2.87 0.00 0.00 58.31 53.79 1jx2 n LYS 576 Cb 0.25 -1.36 0.01 0.00 -1.84 0.00 0.00 35.03 32.09 1jx2 n LYS 576 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1jx2 n THR 577 N 0.98 1.06 -4.30 -0.18 -2.24 -1.26 -4.96 114.28 103.39 1jx2 n THR 577 Ca 0.13 -1.10 -0.16 0.00 -2.27 0.00 0.00 64.05 60.65 1jx2 n THR 577 Cb 0.46 0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 69.03 1jx2 n THR 577 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jx2 s GLU 578 N -1.15 1.21 -0.02 -0.78 2.02 -1.26 -1.26 118.70 117.46 1jx2 s GLU 578 Ca 0.03 -1.56 -0.13 0.00 0.02 0.00 0.00 54.97 53.33 1jx2 s GLU 578 Cb 0.03 -0.70 0.02 0.00 0.10 0.00 0.00 34.13 33.57 1jx2 s GLU 578 CO 0.00 0.03 0.28 -0.59 0.02 0.00 0.00 175.26 175.00 1jx2 s PHE 579 N -3.30 -0.15 0.06 1.61 -0.12 -0.74 -4.35 117.98 110.98 1jx2 s PHE 579 Ca 0.22 0.24 0.02 0.00 -0.05 0.00 0.00 56.93 57.36 1jx2 s PHE 579 Cb 0.03 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1jx2 s PHE 579 CO 0.05 -0.35 0.10 0.20 -0.05 0.00 0.00 175.22 175.16 1jx2 s GLY 580 N -1.22 2.04 -0.04 1.99 0.00 0.51 -0.84 107.32 109.76 1jx2 s GLY 580 Ca -0.13 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.64 1jx2 s GLY 580 CO 0.03 -0.92 -0.04 0.14 0.00 0.00 0.00 173.10 172.31 1jx2 s VAL 581 N -1.37 0.50 -0.62 1.40 1.01 -0.50 -2.10 120.40 118.72 1jx2 s VAL 581 Ca 0.29 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 1jx2 s VAL 581 Cb -0.12 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.78 1jx2 s VAL 581 CO 0.21 0.21 1.02 -0.89 0.00 0.00 0.00 175.10 175.66 1jx2 s THR 582 N 0.85 4.23 0.47 3.92 2.01 0.12 -0.97 115.64 126.27 1jx2 s THR 582 Ca -0.11 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1jx2 s THR 582 Cb -0.14 -4.67 -0.01 0.00 0.01 0.00 0.00 72.50 67.70 1jx2 s THR 582 CO 0.00 -1.38 0.70 -1.00 -0.69 0.00 0.00 174.62 172.25 1jx2 s HIS 583 N 4.35 3.26 0.28 4.92 3.76 0.15 -4.86 115.29 127.15 1jx2 s HIS 583 Ca 0.29 0.33 0.01 0.00 -0.15 0.00 0.00 55.06 55.53 1jx2 s HIS 583 Cb -0.13 -2.35 0.65 0.00 1.11 0.00 0.00 32.58 31.86 1jx2 s HIS 583 CO 0.16 -0.39 1.67 -0.92 -0.85 0.00 0.00 174.74 174.41 1jx2 h TYR 584 N 0.33 0.43 -0.22 1.40 3.20 -1.96 0.18 116.97 120.32 1jx2 h TYR 584 Ca -0.46 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1jx2 h TYR 584 Cb 1.25 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1jx2 h TYR 584 CO 0.47 -0.12 0.00 0.00 -1.64 0.00 0.00 178.16 176.87 1jx2 n ALA 585 N -2.63 2.49 0.00 1.82 0.00 -1.26 -5.01 120.51 115.92 1jx2 n ALA 585 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1jx2 n ALA 585 Cb 0.61 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1jx2 n ALA 585 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jx2 n GLY 586 N 1.02 2.14 3.76 0.00 0.00 0.63 -5.07 105.19 107.67 1jx2 n GLY 586 Ca 0.13 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 1jx2 n GLY 586 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jx2 s GLN 587 N -1.64 4.62 -0.05 1.61 0.74 -1.26 -0.67 119.66 123.00 1jx2 s GLN 587 Ca 0.00 1.60 0.03 0.00 0.05 0.00 0.00 55.36 57.04 1jx2 s GLN 587 Cb 0.00 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1jx2 s GLN 587 CO 0.00 0.25 -0.15 0.08 -0.55 0.00 0.00 175.29 174.93 1jx2 s VAL 588 N -1.31 1.27 -0.20 1.34 1.01 -0.14 -4.89 120.40 117.47 1jx2 s VAL 588 Ca 0.46 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 1jx2 s VAL 588 Cb -0.27 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1jx2 s VAL 588 CO 0.34 0.38 0.24 -0.04 0.00 0.00 0.00 175.10 176.01 1jx2 s MET 589 N 0.26 4.16 -0.11 2.72 -1.94 -1.26 -1.41 119.30 121.73 1jx2 s MET 589 Ca -0.08 -0.07 -0.01 0.00 -1.71 0.00 0.00 55.69 53.83 1jx2 s MET 589 Cb -0.13 -3.49 -0.03 0.00 2.01 0.00 0.00 34.83 33.20 1jx2 s MET 589 CO 0.03 0.13 -0.06 0.71 -0.01 0.00 0.00 175.02 175.82 1jx2 s TYR 590 N 0.83 2.98 -0.12 -0.03 2.02 -0.02 -3.76 117.35 119.24 1jx2 s TYR 590 Ca 0.12 -0.14 -0.17 0.00 -0.37 0.00 0.00 57.07 56.51 1jx2 s TYR 590 Cb -0.13 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 1jx2 s TYR 590 CO 0.04 0.16 0.44 -2.00 -1.57 0.00 0.00 175.55 172.62 1jx2 s GLU 591 N -0.29 4.32 0.00 -0.62 2.56 0.42 -1.80 118.70 123.29 1jx2 s GLU 591 Ca 0.04 0.39 0.28 0.00 0.00 0.00 0.00 54.97 55.69 1jx2 s GLU 591 Cb -0.13 -3.43 1.15 0.00 2.00 0.00 0.00 34.13 33.72 1jx2 s GLU 591 CO 0.02 0.18 1.84 1.51 -0.56 0.00 0.00 175.26 178.26 1jx2 n ILE 592 N 3.62 0.00 -1.65 -3.70 0.13 -0.39 -4.56 119.36 112.81 1jx2 n ILE 592 Ca -0.08 -0.01 -0.50 0.00 -1.10 0.00 0.00 62.75 61.06 1jx2 n ILE 592 Cb 0.52 -0.28 -0.05 0.00 -0.84 0.00 0.00 39.64 38.99 1jx2 n ILE 592 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 1jx2 n GLN 593 N -1.35 1.70 -0.83 9.51 -0.06 -1.26 -1.98 117.38 123.11 1jx2 n GLN 593 Ca 0.09 0.62 0.00 0.00 -2.00 0.00 0.00 57.00 55.71 1jx2 n GLN 593 Cb 0.31 -2.35 0.00 0.00 -4.06 0.00 0.00 30.24 24.14 1jx2 n GLN 593 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1jx2 n ASP 594 N 3.90 -0.50 -0.29 1.69 10.43 -1.26 -4.88 116.55 125.63 1jx2 n ASP 594 Ca 0.20 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.62 1jx2 n ASP 594 Cb 0.24 -1.04 0.28 0.00 1.84 0.00 0.00 41.12 42.44 1jx2 n ASP 594 CO 0.00 0.00 0.00 -0.50 -1.07 0.00 0.00 177.20 175.63 1jx2 h TRP 595 N 0.00 0.98 0.20 1.24 4.06 -1.75 0.20 115.95 120.89 1jx2 h TRP 595 Ca 0.00 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 1jx2 h TRP 595 Cb 0.05 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 27.89 1jx2 h TRP 595 CO 0.03 0.46 -0.10 -0.07 -3.56 0.00 0.00 178.44 175.21 1jx2 h LEU 596 N 0.92 -0.23 -0.92 -4.49 4.07 -1.90 -0.57 115.31 112.18 1jx2 h LEU 596 Ca 0.41 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 58.31 1jx2 h LEU 596 Cb 0.36 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1jx2 h LEU 596 CO -0.17 -0.02 0.58 -0.08 -1.08 0.00 0.00 178.44 177.68 1jx2 h GLU 597 N -0.44 1.03 -0.76 1.13 4.81 -1.80 -1.83 114.58 116.71 1jx2 h GLU 597 Ca -0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1jx2 h GLU 597 Cb 0.34 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1jx2 h GLU 597 CO 0.05 0.68 0.44 0.87 -0.73 0.00 0.00 179.01 180.32 1jx2 h LYS 598 N 1.06 1.04 0.00 1.92 1.79 -0.33 0.34 116.57 122.39 1jx2 h LYS 598 Ca 0.40 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.72 1jx2 h LYS 598 Cb 0.18 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1jx2 h LYS 598 CO -0.18 0.75 -0.23 -0.97 -1.08 0.00 0.00 179.45 177.74 1jx2 h ASN 599 N 1.04 0.00 0.14 0.86 -1.24 -0.39 -3.21 115.58 112.78 1jx2 h ASN 599 Ca 0.27 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.96 1jx2 h ASN 599 Cb -0.01 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 38.98 1jx2 h ASN 599 CO -0.05 0.23 -2.17 0.29 -1.29 0.00 0.00 177.43 174.44 1jx2 n LYS 600 N -3.34 0.67 -3.92 6.67 5.02 -0.76 -1.12 118.16 121.39 1jx2 n LYS 600 Ca 0.01 0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 56.01 1jx2 n LYS 600 Cb 0.46 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1jx2 n LYS 600 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jx2 n ASP 601 N -2.79 -3.12 -4.77 4.39 4.64 0.12 -4.89 116.55 110.12 1jx2 n ASP 601 Ca -0.27 -1.12 -0.34 0.00 -1.38 0.00 0.00 54.79 51.68 1jx2 n ASP 601 Cb 1.09 -2.65 0.03 0.00 -1.04 0.00 0.00 41.12 38.55 1jx2 n ASP 601 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1jx2 s PRO 602 N -6.67 2.96 -0.14 -0.67 0.04 -1.26 -5.06 135.00 124.20 1jx2 s PRO 602 Ca 0.32 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 1jx2 s PRO 602 Cb -0.14 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1jx2 s PRO 602 CO 0.91 -1.14 0.32 -1.17 0.04 0.00 0.00 177.00 175.97 1jx2 s LEU 603 N -4.50 -0.02 0.24 -3.56 2.96 -1.26 -4.93 118.68 107.61 1jx2 s LEU 603 Ca 0.70 0.71 -0.31 0.00 -0.22 0.00 0.00 54.13 55.01 1jx2 s LEU 603 Cb -0.22 1.00 -0.14 0.00 0.50 0.00 0.00 46.19 47.33 1jx2 s LEU 603 CO 0.36 -0.20 1.32 0.00 -1.32 0.00 0.00 176.35 176.52 1jx2 n GLN 604 N 4.60 1.82 0.07 1.98 1.13 -1.26 -4.85 117.38 120.86 1jx2 n GLN 604 Ca -0.19 0.65 0.04 0.00 -1.94 0.00 0.00 57.00 55.55 1jx2 n GLN 604 Cb 0.53 -2.24 0.43 0.00 0.11 0.00 0.00 30.24 29.07 1jx2 n GLN 604 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1jx2 h GLN 605 N 3.75 0.38 0.00 -1.09 5.75 -1.97 -0.83 115.11 121.11 1jx2 h GLN 605 Ca -0.44 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.01 1jx2 h GLN 605 Cb 1.29 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 1jx2 h GLN 605 CO 0.72 0.33 -0.02 -0.44 -2.65 0.00 0.00 178.83 176.77 1jx2 h ASP 606 N 0.38 0.00 0.26 -0.69 3.45 -1.89 -0.18 116.42 117.76 1jx2 h ASP 606 Ca 0.10 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.23 1jx2 h ASP 606 Cb 0.10 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.91 1jx2 h ASP 606 CO -0.01 0.02 -1.42 -0.07 -1.57 0.00 0.00 179.24 176.20 1jx2 h LEU 607 N 0.00 0.83 -0.59 1.55 3.38 -1.43 -2.36 115.31 116.68 1jx2 h LEU 607 Ca -0.00 -0.86 0.01 0.00 0.09 0.00 0.00 57.88 57.12 1jx2 h LEU 607 Cb 0.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1jx2 h LEU 607 CO 0.00 1.67 0.39 -0.33 0.09 0.00 0.00 178.44 180.26 1jx2 h GLU 608 N 0.17 0.76 -0.37 1.13 4.39 -0.87 -2.11 114.58 117.67 1jx2 h GLU 608 Ca -0.23 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 1jx2 h GLU 608 Cb 2.10 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.57 1jx2 h GLU 608 CO 0.26 0.50 0.19 -0.07 -1.16 0.00 0.00 179.01 178.74 1jx2 h LEU 609 N 0.78 0.48 -0.67 1.33 3.38 -1.13 -0.30 115.31 119.18 1jx2 h LEU 609 Ca 0.22 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1jx2 h LEU 609 Cb -0.06 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 1jx2 h LEU 609 CO -0.06 0.45 0.33 0.00 0.09 0.00 0.00 178.44 179.25 1jx2 h PHE 611 N 0.58 0.00 0.00 0.00 -1.00 -1.23 -2.99 116.94 112.30 1jx2 h PHE 611 Ca 0.32 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.09 1jx2 h PHE 611 Cb 0.31 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 1jx2 h PHE 611 CO -0.11 0.43 -0.04 0.87 -1.61 0.00 0.00 178.31 177.85 1jx2 h LYS 612 N 0.00 0.00 -0.70 1.51 1.57 -0.41 -2.06 116.57 116.49 1jx2 h LYS 612 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1jx2 h LYS 612 Cb 1.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 1jx2 h LYS 612 CO 0.05 0.04 0.08 -3.47 -0.57 0.00 0.00 179.45 175.58 1jx2 n ASP 613 N -3.18 4.86 -4.78 0.86 2.03 -0.94 -4.94 116.55 110.46 1jx2 n ASP 613 Ca -0.00 -2.88 -0.35 0.00 0.52 0.00 0.00 54.79 52.07 1jx2 n ASP 613 Cb 0.26 -0.68 -0.02 0.00 -0.72 0.00 0.00 41.12 39.97 1jx2 n ASP 613 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1jx2 s SER 614 N -0.71 6.13 0.00 1.67 0.15 -0.78 -4.86 113.70 115.31 1jx2 s SER 614 Ca 0.47 2.12 0.27 0.00 0.70 0.00 0.00 55.95 59.51 1jx2 s SER 614 Cb 0.36 -2.58 0.92 0.00 -1.71 0.00 0.00 66.02 63.01 1jx2 s SER 614 CO 0.13 -0.93 1.67 -1.54 1.20 0.00 0.00 173.24 173.77 1jx2 n SER 615 N -0.85 0.74 -4.74 5.45 3.41 0.03 -4.80 113.62 112.86 1jx2 n SER 615 Ca 0.09 -0.67 -0.38 0.00 -0.26 0.00 0.00 58.87 57.65 1jx2 n SER 615 Cb 0.50 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.45 1jx2 n SER 615 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jx2 s ASP 616 N -2.56 6.82 0.11 4.04 -1.08 -1.26 -5.00 116.67 117.74 1jx2 s ASP 616 Ca 0.24 0.97 -0.20 0.00 -0.52 0.00 0.00 52.55 53.05 1jx2 s ASP 616 Cb 0.19 -2.32 -0.08 0.00 -1.46 0.00 0.00 42.92 39.25 1jx2 s ASP 616 CO 0.52 0.03 1.74 0.78 0.52 0.00 0.00 175.17 178.76 1jx2 h ASN 617 N 6.34 0.22 -0.14 -0.34 2.35 -1.96 -2.23 115.58 119.81 1jx2 h ASN 617 Ca -0.43 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.25 1jx2 h ASN 617 Cb 1.19 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 1jx2 h ASN 617 CO 0.73 0.19 -0.05 0.58 -1.65 0.00 0.00 177.43 177.23 1jx2 h VAL 618 N 0.22 1.30 -0.36 2.81 2.07 -1.95 -2.19 116.25 118.15 1jx2 h VAL 618 Ca 0.07 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.61 1jx2 h VAL 618 Cb 0.01 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1jx2 h VAL 618 CO -0.01 0.31 -0.21 0.58 0.02 0.00 0.00 177.57 178.26 1jx2 h VAL 619 N -0.03 0.41 -0.95 2.57 2.07 -1.91 -0.90 116.25 117.51 1jx2 h VAL 619 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1jx2 h VAL 619 Cb 0.50 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 1jx2 h VAL 619 CO 0.02 0.00 0.59 0.74 0.02 0.00 0.00 177.57 178.94 1jx2 h THR 620 N -0.15 0.94 -0.65 2.57 2.02 -1.34 -0.31 112.91 115.99 1jx2 h THR 620 Ca 0.18 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1jx2 h THR 620 Cb 0.43 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1jx2 h THR 620 CO -0.46 0.18 0.26 0.11 0.37 0.00 0.00 175.52 175.97 1jx2 h LYS 621 N 0.96 0.95 0.00 6.66 1.57 -0.53 -0.44 116.57 125.74 1jx2 h LYS 621 Ca 0.46 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1jx2 h LYS 621 Cb 0.41 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1jx2 h LYS 621 CO -0.25 0.77 0.00 -0.07 -0.57 0.00 0.00 179.45 179.33 1jx2 h LEU 622 N 0.93 0.00 -0.19 2.94 3.38 -0.20 0.32 115.31 122.48 1jx2 h LEU 622 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jx2 h LEU 622 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jx2 h LEU 622 CO -0.02 0.00 -0.33 0.49 0.09 0.00 0.00 178.44 178.67 1jx2 n PHE 623 N -2.82 0.00 -0.07 1.13 3.01 -0.68 -4.01 117.46 114.01 1jx2 n PHE 623 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.34 1jx2 n PHE 623 Cb 0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.47 1jx2 n PHE 623 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1jx2 n ASN 624 N -0.95 2.53 -4.62 4.37 5.03 -0.26 -4.83 115.26 116.53 1jx2 n ASN 624 Ca 0.02 -0.06 -0.43 0.00 0.87 0.00 0.00 54.58 54.98 1jx2 n ASN 624 Cb 0.14 0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.92 1jx2 n ASN 624 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1jx2 s ASP 625 N -5.25 5.92 0.30 6.41 -1.08 0.03 -4.84 116.67 118.15 1jx2 s ASP 625 Ca -0.17 1.92 -0.01 0.00 -0.52 0.00 0.00 52.55 53.77 1jx2 s ASP 625 Cb 0.05 -2.52 0.47 0.00 -1.46 0.00 0.00 42.92 39.46 1jx2 s ASP 625 CO 0.41 -1.59 1.95 1.55 0.52 0.00 0.00 175.17 178.01 1jx2 h PRO 626 N 12.91 1.07 0.00 4.34 0.13 -1.92 0.79 132.00 149.32 1jx2 h PRO 626 Ca -0.40 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1jx2 h PRO 626 Cb 1.21 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1jx2 h PRO 626 CO 0.97 0.70 0.00 0.09 -0.23 0.00 0.00 178.00 179.54 1jx2 n ASN 627 N -4.44 0.00 0.00 1.44 5.03 -1.26 -3.17 115.26 112.86 1jx2 n ASN 627 Ca 0.11 -0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.48 1jx2 n ASN 627 Cb 0.09 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 38.69 1jx2 n ASN 627 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1jx2 n ILE 628 N -1.16 0.00 0.25 2.41 5.41 0.07 -4.81 119.36 121.53 1jx2 n ILE 628 Ca 0.07 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.94 1jx2 n ILE 628 Cb 0.07 -1.13 0.62 0.00 -0.71 0.00 0.00 39.64 38.49 1jx2 n ILE 628 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jx2 h ALA 629 N 0.00 1.00 -2.98 -1.39 0.00 0.42 -3.46 119.26 112.85 1jx2 h ALA 629 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jx2 h ALA 629 Cb 0.75 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1jx2 h ALA 629 CO 0.00 0.00 0.19 -1.54 0.00 0.00 0.00 179.25 177.90 1jx2 s SER 630 N -4.27 -0.42 0.07 0.00 1.04 -1.19 -5.03 113.70 103.91 1jx2 s SER 630 Ca -0.01 -0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.12 1jx2 s SER 630 Cb 0.08 0.64 -0.27 0.00 0.10 0.00 0.00 66.02 66.57 1jx2 s SER 630 CO 0.29 -1.12 1.11 0.03 0.98 0.00 0.00 173.24 174.53 1jx2 h ARG 631 N 2.03 0.22 -5.69 4.02 -0.00 -1.88 -3.44 114.38 109.64 1jx2 h ARG 631 Ca -0.28 -0.37 -0.60 0.00 -0.50 0.00 0.00 59.98 58.23 1jx2 h ARG 631 Cb 1.28 0.14 -0.10 0.00 0.00 0.00 0.00 29.97 31.30 1jx2 h ARG 631 CO 0.33 1.15 0.33 0.00 0.00 0.00 0.00 179.97 181.78 1jx2 s ALA 632 N -2.66 3.62 0.77 0.04 0.00 -1.26 -4.96 121.76 117.31 1jx2 s ALA 632 Ca -0.04 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 1jx2 s ALA 632 Cb 0.07 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1jx2 s ALA 632 CO 0.87 -0.83 1.11 -1.59 0.00 0.00 0.00 175.76 175.31 1jx2 s LYS 633 N 2.59 2.18 -0.53 0.00 0.00 -1.26 -4.81 119.74 117.91 1jx2 s LYS 633 Ca 0.31 1.29 -0.33 0.00 0.00 0.00 0.00 55.97 57.24 1jx2 s LYS 633 Cb -0.15 -1.88 -0.13 0.00 0.00 0.00 0.00 37.83 35.66 1jx2 s LYS 633 CO 0.08 -1.71 2.34 1.17 0.00 0.00 0.00 175.35 177.23 1jx2 n LYS 634 N -3.38 0.74 0.00 1.78 4.81 -1.26 -0.70 118.16 120.15 1jx2 n LYS 634 Ca 0.10 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1jx2 n LYS 634 Cb 0.53 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1jx2 n LYS 634 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jx2 n GLY 635 N 6.51 0.80 3.98 3.14 0.00 -1.26 -5.11 105.19 113.24 1jx2 n GLY 635 Ca 0.47 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 1jx2 n GLY 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx2 s ALA 636 N -2.00 4.17 0.83 4.61 0.00 0.13 -5.13 121.76 124.36 1jx2 s ALA 636 Ca 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 1jx2 s ALA 636 Cb 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 23.12 21.54 1jx2 s ALA 636 CO 0.00 0.01 0.36 0.09 0.00 0.00 0.00 175.76 176.22 1jx2 n ASN 637 N -1.59 0.16 -4.73 0.00 3.02 -1.26 -4.85 115.26 106.01 1jx2 n ASN 637 Ca -0.01 -1.21 -0.42 0.00 -0.03 0.00 0.00 54.58 52.91 1jx2 n ASN 637 Cb 0.58 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1jx2 n ASN 637 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1jx2 s PHE 638 N -1.50 3.08 -0.13 3.10 2.19 -1.26 -4.69 117.98 118.78 1jx2 s PHE 638 Ca 0.22 0.82 0.02 0.00 0.33 0.00 0.00 56.93 58.31 1jx2 s PHE 638 Cb -0.01 -3.85 0.01 0.00 -1.31 0.00 0.00 43.02 37.86 1jx2 s PHE 638 CO 0.15 -2.99 -0.18 0.42 1.83 0.00 0.00 175.22 174.45 1jx2 s ILE 639 N 0.72 1.73 0.79 3.12 -1.09 -1.26 -5.05 121.20 120.16 1jx2 s ILE 639 Ca 0.65 -0.77 -0.12 0.00 -2.23 0.00 0.00 60.65 58.18 1jx2 s ILE 639 Cb -0.42 -1.56 0.07 0.00 -1.58 0.00 0.00 42.46 38.97 1jx2 s ILE 639 CO 0.35 0.49 1.16 0.42 -1.23 0.00 0.00 174.94 176.13 1jx2 s THR 640 N 0.99 2.31 0.17 2.92 -4.23 -1.26 -4.78 115.64 111.76 1jx2 s THR 640 Ca -0.05 0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.45 1jx2 s THR 640 Cb -0.15 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.66 1jx2 s THR 640 CO -0.03 -0.13 1.67 0.58 -0.54 0.00 0.00 174.62 176.17 1jx2 h VAL 641 N -0.98 1.26 -0.06 2.29 2.07 -1.41 -1.19 116.25 118.23 1jx2 h VAL 641 Ca -0.46 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1jx2 h VAL 641 Cb 1.31 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1jx2 h VAL 641 CO 0.66 0.36 0.03 0.00 0.02 0.00 0.00 177.57 178.64 1jx2 h ALA 642 N 1.02 0.07 -0.70 1.67 0.00 -1.91 0.65 119.26 120.07 1jx2 h ALA 642 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jx2 h ALA 642 Cb 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1jx2 h ALA 642 CO 0.01 -0.38 0.44 0.00 0.00 0.00 0.00 179.25 179.32 1jx2 h ALA 643 N 0.92 0.88 -0.03 0.00 0.00 -1.91 0.33 119.26 119.46 1jx2 h ALA 643 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jx2 h ALA 643 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1jx2 h ALA 643 CO -0.00 0.33 -0.01 0.37 0.00 0.00 0.00 179.25 179.93 1jx2 h GLN 644 N 0.94 -0.01 -0.47 0.00 4.15 -0.97 -1.79 115.11 116.96 1jx2 h GLN 644 Ca 0.25 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.62 1jx2 h GLN 644 Cb -0.07 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1jx2 h GLN 644 CO -0.05 -0.00 0.06 -0.92 -1.93 0.00 0.00 178.83 175.99 1jx2 h TYR 645 N -0.01 0.77 -0.57 3.99 5.03 -0.36 -0.79 116.97 125.03 1jx2 h TYR 645 Ca 0.02 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.21 1jx2 h TYR 645 Cb 0.03 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.06 1jx2 h TYR 645 CO -0.10 0.69 0.21 -0.22 -1.32 0.00 0.00 178.16 177.41 1jx2 h LYS 646 N 0.71 0.85 -0.29 1.82 3.64 -0.71 0.11 116.57 122.70 1jx2 h LYS 646 Ca 0.15 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1jx2 h LYS 646 Cb 0.34 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1jx2 h LYS 646 CO 0.01 0.71 -0.51 1.49 -2.27 0.00 0.00 179.45 178.88 1jx2 h GLU 647 N 0.83 0.81 -0.36 1.90 4.81 -0.65 -1.44 114.58 120.48 1jx2 h GLU 647 Ca 0.19 -0.49 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 1jx2 h GLU 647 Cb 0.20 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1jx2 h GLU 647 CO -0.01 1.12 -0.16 1.96 -0.73 0.00 0.00 179.01 181.19 1jx2 h GLN 648 N 0.63 0.67 -0.19 1.92 4.20 -0.75 -1.78 115.11 119.80 1jx2 h GLN 648 Ca 0.02 -0.23 -0.17 0.00 0.06 0.00 0.00 58.65 58.34 1jx2 h GLN 648 Cb 1.09 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1jx2 h GLN 648 CO 0.11 0.79 -0.54 1.25 -0.67 0.00 0.00 178.83 179.78 1jx2 h LEU 649 N 0.60 0.80 -1.20 1.46 5.85 -0.87 -2.18 115.31 119.77 1jx2 h LEU 649 Ca 0.10 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1jx2 h LEU 649 Cb 0.61 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1jx2 h LEU 649 CO 0.04 1.24 0.38 0.00 -0.34 0.00 0.00 178.44 179.76 1jx2 h ALA 650 N 0.58 1.39 -0.65 1.25 0.00 -1.11 -0.14 119.26 120.58 1jx2 h ALA 650 Ca -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1jx2 h ALA 650 Cb 1.15 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1jx2 h ALA 650 CO 0.12 0.51 0.12 1.03 0.00 0.00 0.00 179.25 181.03 1jx2 h SER 651 N 0.94 1.01 -0.50 0.00 0.87 -1.22 -0.41 113.55 114.25 1jx2 h SER 651 Ca 0.24 -0.25 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 1jx2 h SER 651 Cb 0.01 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1jx2 h SER 651 CO -0.04 1.00 0.01 0.25 -0.53 0.00 0.00 176.83 177.52 1jx2 h LEU 652 N 0.97 0.85 -0.50 2.23 5.85 -0.64 -2.04 115.31 122.03 1jx2 h LEU 652 Ca 0.20 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1jx2 h LEU 652 Cb 0.41 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1jx2 h LEU 652 CO 0.01 0.94 0.17 0.24 -0.34 0.00 0.00 178.44 179.46 1jx2 h MET 653 N 0.73 0.77 -0.96 1.25 2.86 -0.88 -0.04 114.93 118.67 1jx2 h MET 653 Ca 0.14 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1jx2 h MET 653 Cb 0.50 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 1jx2 h MET 653 CO 0.02 0.71 0.62 0.00 1.06 0.00 0.00 176.91 179.33 1jx2 h ALA 654 N 1.02 1.22 0.01 6.32 0.00 -0.94 0.86 119.26 127.75 1jx2 h ALA 654 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jx2 h ALA 654 Cb 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1jx2 h ALA 654 CO -0.01 0.63 -0.00 1.15 0.00 0.00 0.00 179.25 181.02 1jx2 h THR 655 N 1.31 1.13 -0.79 0.00 2.02 -1.01 -2.63 112.91 112.94 1jx2 h THR 655 Ca 0.35 -0.41 0.08 0.00 0.77 0.00 0.00 66.41 67.21 1jx2 h THR 655 Cb -0.13 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1jx2 h THR 655 CO -0.07 0.11 0.52 -0.07 0.37 0.00 0.00 175.52 176.37 1jx2 h LEU 656 N -0.19 0.70 0.00 2.58 3.38 -0.49 -1.03 115.31 120.26 1jx2 h LEU 656 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jx2 h LEU 656 Cb 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jx2 h LEU 656 CO 0.00 0.43 0.00 -0.62 0.09 0.00 0.00 178.44 178.34 1jx2 n GLU 657 N -4.50 0.58 -0.25 1.13 1.02 0.25 -1.20 120.64 117.67 1jx2 n GLU 657 Ca 0.13 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.35 1jx2 n GLU 657 Cb 0.28 -1.48 0.22 0.00 -0.02 0.00 0.00 31.44 30.44 1jx2 n GLU 657 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jx2 n THR 658 N -0.98 0.97 -4.55 2.62 -2.24 -0.39 -4.99 114.28 104.71 1jx2 n THR 658 Ca 0.13 -0.98 -0.26 0.00 -2.27 0.00 0.00 64.05 60.68 1jx2 n THR 658 Cb 0.06 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.71 1jx2 n THR 658 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jx2 s THR 659 N -1.01 1.80 -0.41 4.28 -4.23 -0.34 -4.45 115.64 111.28 1jx2 s THR 659 Ca 0.34 -2.04 -0.16 0.00 -1.18 0.00 0.00 61.69 58.65 1jx2 s THR 659 Cb 0.18 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 71.18 1jx2 s THR 659 CO 0.23 -0.05 0.36 0.21 -0.54 0.00 0.00 174.62 174.83 1jx2 s ASN 660 N -3.62 6.15 0.32 3.99 2.47 -0.15 -4.93 114.94 119.17 1jx2 s ASN 660 Ca 0.35 -0.75 -0.27 0.00 0.42 0.00 0.00 52.86 52.60 1jx2 s ASN 660 Cb 0.08 -2.19 -0.09 0.00 -1.45 0.00 0.00 41.25 37.60 1jx2 s ASN 660 CO 0.17 -0.49 1.01 -2.16 -3.72 0.00 0.00 177.10 171.90 1jx2 s PRO 661 N 1.89 4.51 -0.05 0.43 0.04 -1.26 -2.37 135.00 138.20 1jx2 s PRO 661 Ca 0.08 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1jx2 s PRO 661 Cb -0.18 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1jx2 s PRO 661 CO 0.12 0.17 -0.15 -1.01 0.04 0.00 0.00 177.00 176.17 1jx2 s HIS 662 N -1.47 1.59 -0.10 0.56 3.76 0.11 -4.93 115.29 114.82 1jx2 s HIS 662 Ca 0.50 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 1jx2 s HIS 662 Cb -0.24 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.34 1jx2 s HIS 662 CO 0.30 -0.20 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.76 1jx2 s PHE 663 N 0.24 2.70 -0.16 1.40 0.40 -1.26 -0.35 117.98 120.96 1jx2 s PHE 663 Ca -0.07 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 55.64 1jx2 s PHE 663 Cb -0.13 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.68 1jx2 s PHE 663 CO 0.03 -0.17 -0.17 0.08 0.70 0.00 0.00 175.22 175.69 1jx2 s VAL 664 N 0.07 1.81 -0.37 -0.44 1.01 0.16 -1.74 120.40 120.90 1jx2 s VAL 664 Ca -0.07 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1jx2 s VAL 664 Cb -0.15 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1jx2 s VAL 664 CO 0.05 0.50 0.21 -0.13 0.00 0.00 0.00 175.10 175.73 1jx2 s ARG 665 N 1.33 2.86 -0.07 2.72 1.81 0.20 -1.79 118.95 126.00 1jx2 s ARG 665 Ca 0.04 -1.06 -0.16 0.00 -1.72 0.00 0.00 55.73 52.82 1jx2 s ARG 665 Cb -0.13 -3.74 -0.05 0.00 -0.45 0.00 0.00 34.95 30.58 1jx2 s ARG 665 CO -0.11 -0.69 0.42 0.00 -0.68 0.00 0.00 175.30 174.24 1jx2 s ILE 667 N -0.17 1.56 -0.05 0.00 1.01 0.50 -4.30 121.20 119.74 1jx2 s ILE 667 Ca 0.23 -0.77 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 1jx2 s ILE 667 Cb -0.16 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1jx2 s ILE 667 CO 0.11 0.45 0.64 -0.51 0.00 0.00 0.00 174.94 175.62 1jx2 s ILE 668 N 0.15 5.02 0.29 2.92 2.07 -1.26 -1.37 121.20 129.02 1jx2 s ILE 668 Ca -0.07 1.31 0.05 0.00 -1.41 0.00 0.00 60.65 60.52 1jx2 s ILE 668 Cb -0.13 -3.97 0.05 0.00 0.13 0.00 0.00 42.46 38.53 1jx2 s ILE 668 CO 0.04 0.31 1.71 1.55 -1.91 0.00 0.00 174.94 176.64 1jx2 h PRO 669 N 6.42 0.35 0.00 3.50 0.13 -1.90 -3.40 132.00 137.09 1jx2 h PRO 669 Ca -0.42 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.54 1jx2 h PRO 669 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1jx2 h PRO 669 CO 0.74 0.65 0.08 0.27 -0.23 0.00 0.00 178.00 179.50 1jx2 n ASN 670 N -4.08 -0.74 -1.01 1.44 0.23 -1.26 -1.73 115.26 108.11 1jx2 n ASN 670 Ca -0.01 -1.55 0.05 0.00 -0.53 0.00 0.00 54.58 52.54 1jx2 n ASN 670 Cb 0.44 1.24 0.25 0.00 -2.08 0.00 0.00 39.78 39.63 1jx2 n ASN 670 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1jx2 n ASN 671 N -1.28 3.67 -0.01 0.53 3.02 -1.26 -4.45 115.26 115.48 1jx2 n ASN 671 Ca -0.03 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.35 1jx2 n ASN 671 Cb 0.20 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1jx2 n ASN 671 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jx2 n LYS 672 N -0.62 2.27 -3.91 3.52 5.02 -1.26 -5.00 118.16 118.18 1jx2 n LYS 672 Ca 0.25 -1.33 -0.27 0.00 -2.02 0.00 0.00 58.31 54.95 1jx2 n LYS 672 Cb 0.95 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1jx2 n LYS 672 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1jx2 n GLN 673 N -0.39 -4.22 -4.81 1.97 6.02 -1.26 -4.97 117.38 109.71 1jx2 n GLN 673 Ca 0.00 0.50 -0.31 0.00 -0.01 0.00 0.00 57.00 57.19 1jx2 n GLN 673 Cb 0.21 -5.00 -0.14 0.00 1.02 0.00 0.00 30.24 26.34 1jx2 n GLN 673 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jx2 s LEU 674 N -6.99 2.39 0.99 1.08 1.43 -1.26 -5.00 118.68 111.32 1jx2 s LEU 674 Ca 0.24 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 1jx2 s LEU 674 Cb -0.12 -1.41 0.18 0.00 0.03 0.00 0.00 46.19 44.87 1jx2 s LEU 674 CO 0.86 0.26 1.15 -2.16 0.23 0.00 0.00 176.35 176.69 1jx2 s PRO 675 N -1.28 0.49 -1.00 1.29 0.04 -1.26 -4.27 135.00 129.01 1jx2 s PRO 675 Ca 0.13 0.17 -0.17 0.00 0.04 0.00 0.00 61.00 61.16 1jx2 s PRO 675 Cb -0.10 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1jx2 s PRO 675 CO 0.03 -2.62 0.32 0.00 0.04 0.00 0.00 177.00 174.78 1jx2 n ALA 676 N -4.03 -2.04 -2.75 8.56 0.00 -1.26 -4.86 120.51 114.12 1jx2 n ALA 676 Ca 0.09 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 1jx2 n ALA 676 Cb 0.59 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.66 1jx2 n ALA 676 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jx2 n LYS 677 N -3.91 0.79 -2.69 0.00 4.81 -1.26 -5.11 118.16 110.79 1jx2 n LYS 677 Ca -0.14 -1.76 -0.43 0.00 -0.87 0.00 0.00 58.31 55.11 1jx2 n LYS 677 Cb 0.45 -1.44 -0.02 0.00 0.02 0.00 0.00 35.03 34.04 1jx2 n LYS 677 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1jx2 s LEU 678 N -0.80 4.10 -0.23 3.14 2.96 -1.26 -4.30 118.68 122.29 1jx2 s LEU 678 Ca 0.31 1.34 -0.10 0.00 -0.22 0.00 0.00 54.13 55.47 1jx2 s LEU 678 Cb 0.23 -3.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 1jx2 s LEU 678 CO -0.24 -0.65 0.14 -1.61 -1.32 0.00 0.00 176.35 172.67 1jx2 s GLU 679 N 3.15 4.06 0.09 1.98 2.02 -0.71 -5.02 118.70 124.27 1jx2 s GLU 679 Ca 0.43 -0.28 -0.19 0.00 0.02 0.00 0.00 54.97 54.95 1jx2 s GLU 679 Cb -0.15 -3.46 -0.06 0.00 0.10 0.00 0.00 34.13 30.56 1jx2 s GLU 679 CO 0.06 0.12 1.33 -0.44 0.02 0.00 0.00 175.26 176.35 1jx2 h ASP 680 N 7.29 -1.20 -0.47 -0.19 5.19 -1.90 -1.46 116.42 123.69 1jx2 h ASP 680 Ca -0.38 0.17 0.01 0.00 -0.62 0.00 0.00 57.03 56.20 1jx2 h ASP 680 Cb 1.17 0.51 -0.02 0.00 0.18 0.00 0.00 39.33 41.16 1jx2 h ASP 680 CO 0.68 -0.20 0.30 0.50 -3.12 0.00 0.00 179.24 177.40 1jx2 h LYS 681 N -0.14 0.60 0.06 3.56 3.64 -1.96 -1.31 116.57 121.03 1jx2 h LYS 681 Ca 0.07 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1jx2 h LYS 681 Cb 0.31 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1jx2 h LYS 681 CO -0.44 0.40 -0.03 0.28 -2.27 0.00 0.00 179.45 177.38 1jx2 h VAL 682 N 0.62 0.94 0.29 2.00 2.07 -1.81 -0.53 116.25 119.83 1jx2 h VAL 682 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1jx2 h VAL 682 Cb -0.06 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1jx2 h VAL 682 CO -0.04 0.00 -0.14 0.58 0.02 0.00 0.00 177.57 177.98 1jx2 h VAL 683 N -0.09 0.74 -0.98 2.57 2.07 -1.25 -2.95 116.25 116.37 1jx2 h VAL 683 Ca -0.01 -0.47 0.15 0.00 0.82 0.00 0.00 66.70 67.19 1jx2 h VAL 683 Cb 0.07 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 1jx2 h VAL 683 CO 0.01 0.10 0.61 -0.07 0.02 0.00 0.00 177.57 178.24 1jx2 h LEU 684 N -0.65 0.81 -0.74 2.57 3.38 -1.24 0.98 115.31 120.42 1jx2 h LEU 684 Ca -0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1jx2 h LEU 684 Cb 0.46 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1jx2 h LEU 684 CO 0.07 0.38 0.48 0.44 0.09 0.00 0.00 178.44 179.89 1jx2 h ASP 685 N 0.84 0.80 -0.03 -0.43 3.45 -1.03 -2.18 116.42 117.84 1jx2 h ASP 685 Ca 0.51 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.96 1jx2 h ASP 685 Cb 0.70 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1jx2 h ASP 685 CO -0.29 0.56 -0.02 1.56 -1.57 0.00 0.00 179.24 179.48 1jx2 h GLN 686 N 0.95 0.06 0.00 3.56 4.20 -0.71 -2.78 115.11 120.40 1jx2 h GLN 686 Ca 0.29 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1jx2 h GLN 686 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1jx2 h GLN 686 CO -0.09 0.51 0.25 -0.07 -0.67 0.00 0.00 178.83 178.76 1jx2 h LEU 687 N -0.38 0.00 0.00 1.46 3.38 -0.90 0.42 115.31 119.28 1jx2 h LEU 687 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1jx2 h LEU 687 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1jx2 h LEU 687 CO 0.01 0.00 -1.44 0.03 0.09 0.00 0.00 178.44 177.12 1jx2 h ARG 688 N 0.00 0.00 0.00 1.13 3.08 -1.12 -2.91 114.38 114.56 1jx2 h ARG 688 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jx2 h ARG 688 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1jx2 h ARG 688 CO 0.00 0.39 -0.58 0.00 -1.07 0.00 0.00 179.97 178.70 1jx2 h ASN 690 N 0.00 0.00 0.00 0.00 -0.26 -0.47 -3.46 115.58 111.39 1jx2 h ASN 690 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1jx2 h ASN 690 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1jx2 h ASN 690 CO 0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 1jx2 n GLY 691 N -0.07 0.80 0.35 2.83 0.00 -1.26 -4.93 105.19 102.91 1jx2 n GLY 691 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1jx2 n GLY 691 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jx2 h VAL 692 N 0.00 1.25 0.00 1.61 2.07 -1.87 0.87 116.25 120.19 1jx2 h VAL 692 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1jx2 h VAL 692 Cb 0.00 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1jx2 h VAL 692 CO 0.00 0.28 0.00 -0.07 0.02 0.00 0.00 177.57 177.80 1jx2 h LEU 693 N 1.25 0.00 0.21 2.57 3.38 -1.86 -3.19 115.31 117.67 1jx2 h LEU 693 Ca 0.32 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.97 1jx2 h LEU 693 Cb -0.01 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.76 1jx2 h LEU 693 CO -0.06 0.00 -1.45 -0.33 0.09 0.00 0.00 178.44 176.70 1jx2 h GLU 694 N 0.00 0.45 -0.53 1.13 4.39 -1.31 -3.14 114.58 115.57 1jx2 h GLU 694 Ca 0.00 -0.77 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1jx2 h GLU 694 Cb 0.88 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1jx2 h GLU 694 CO 0.00 1.36 0.00 0.41 -1.16 0.00 0.00 179.01 179.62 1jx2 n GLY 695 N 1.68 0.73 0.00 -3.84 0.00 0.29 -1.10 105.19 102.94 1jx2 n GLY 695 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1jx2 n GLY 695 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jx2 n ILE 696 N 0.13 0.00 -0.45 -0.61 -5.35 -1.24 -4.83 119.36 107.01 1jx2 n ILE 696 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1jx2 n ILE 696 Cb 0.13 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1jx2 n ILE 696 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1jx2 n ARG 697 N 0.00 -0.24 0.11 6.28 0.63 -0.60 -4.70 116.66 118.14 1jx2 n ARG 697 Ca 0.00 -0.24 -0.03 0.00 -0.92 0.00 0.00 57.85 56.66 1jx2 n ARG 697 Cb 0.30 -0.73 0.15 0.00 0.45 0.00 0.00 32.46 32.63 1jx2 n ARG 697 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 1jx2 h ILE 698 N 0.45 1.42 -0.42 5.15 3.07 -1.40 -3.15 117.51 122.62 1jx2 h ILE 698 Ca 0.00 -2.05 0.00 0.00 1.55 0.00 0.00 64.86 64.36 1jx2 h ILE 698 Cb 0.22 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 1jx2 h ILE 698 CO 0.00 0.60 0.00 0.35 -1.05 0.00 0.00 178.15 178.05 1jx2 n THR 699 N -3.84 0.71 0.33 0.16 -2.24 -1.26 -4.52 114.28 103.62 1jx2 n THR 699 Ca -0.02 -0.86 0.01 0.00 -2.27 0.00 0.00 64.05 60.91 1jx2 n THR 699 Cb 0.62 0.75 0.04 0.00 -2.10 0.00 0.00 70.33 69.65 1jx2 n THR 699 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1jx2 n ARG 700 N 1.15 0.16 -0.01 -0.78 0.00 -1.19 -1.07 116.66 114.92 1jx2 n ARG 700 Ca 0.17 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 58.11 1jx2 n ARG 700 Cb 0.52 -1.14 -0.13 0.00 -0.00 0.00 0.00 32.46 31.71 1jx2 n ARG 700 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1jx2 n LYS 701 N -0.64 0.70 0.00 2.89 5.02 -1.26 -4.59 118.16 120.28 1jx2 n LYS 701 Ca 0.01 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1jx2 n LYS 701 Cb 0.01 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1jx2 n LYS 701 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jx2 n GLY 702 N 1.46 0.65 2.60 0.72 0.00 -0.23 -5.00 105.19 105.39 1jx2 n GLY 702 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1jx2 n GLY 702 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jx2 n PHE 703 N 0.00 1.41 0.20 1.61 3.01 -1.26 -4.31 117.46 118.12 1jx2 n PHE 703 Ca 0.00 -3.85 0.13 0.00 1.01 0.00 0.00 57.45 54.74 1jx2 n PHE 703 Cb 0.00 -0.26 0.72 0.00 -0.01 0.00 0.00 39.48 39.94 1jx2 n PHE 703 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1jx2 h PRO 704 N 5.24 0.00 -5.86 -1.08 0.11 -1.69 -3.43 132.00 125.30 1jx2 h PRO 704 Ca 0.19 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.63 1jx2 h PRO 704 Cb 0.81 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.66 1jx2 h PRO 704 CO 0.58 0.00 -0.79 -0.80 -0.21 0.00 0.00 178.00 176.77 1jx2 s ASN 705 N -6.55 3.80 -0.12 -2.05 0.01 -1.21 -5.02 114.94 103.81 1jx2 s ASN 705 Ca -0.05 -0.32 -0.11 0.00 -0.71 0.00 0.00 52.86 51.68 1jx2 s ASN 705 Cb 0.17 -1.15 0.03 0.00 0.41 0.00 0.00 41.25 40.71 1jx2 s ASN 705 CO 0.64 0.25 0.31 0.00 -1.51 0.00 0.00 177.10 176.80 1jx2 s ARG 706 N -0.18 0.36 -0.02 -0.60 3.03 -1.26 0.04 118.95 120.32 1jx2 s ARG 706 Ca -0.01 0.44 0.02 0.00 2.03 0.00 0.00 55.73 58.21 1jx2 s ARG 706 Cb -0.13 0.17 0.01 0.00 -1.03 0.00 0.00 34.95 33.96 1jx2 s ARG 706 CO 0.03 -0.05 -0.06 0.42 -1.13 0.00 0.00 175.30 174.52 1jx2 s ILE 707 N 0.21 0.53 0.26 4.99 1.01 -0.39 -4.92 121.20 122.89 1jx2 s ILE 707 Ca -0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 1jx2 s ILE 707 Cb -0.02 -0.50 -0.13 0.00 0.01 0.00 0.00 42.46 41.81 1jx2 s ILE 707 CO 0.00 0.18 1.33 -0.38 0.00 0.00 0.00 174.94 176.08 1jx2 n ILE 708 N 3.41 1.24 -0.10 2.92 5.41 -1.26 -0.24 119.36 130.74 1jx2 n ILE 708 Ca -0.19 -0.31 -0.06 0.00 1.00 0.00 0.00 62.75 63.19 1jx2 n ILE 708 Cb 0.54 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 1jx2 n ILE 708 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1jx2 h TYR 709 N 3.64 -0.60 -0.85 1.39 0.05 -1.82 -1.59 116.97 117.19 1jx2 h TYR 709 Ca -0.45 0.05 0.15 0.00 0.05 0.00 0.00 58.73 58.53 1jx2 h TYR 709 Cb 1.29 0.32 -0.06 0.00 1.01 0.00 0.00 36.73 39.29 1jx2 h TYR 709 CO 0.54 -0.31 0.55 0.00 -1.05 0.00 0.00 178.16 177.90 1jx2 h ALA 710 N 1.01 1.98 -0.25 3.88 0.00 -1.88 0.19 119.26 124.19 1jx2 h ALA 710 Ca 0.18 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1jx2 h ALA 710 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jx2 h ALA 710 CO -0.47 -0.21 -0.62 -0.44 0.00 0.00 0.00 179.25 177.50 1jx2 h ASP 711 N 0.56 0.98 -0.25 0.00 3.45 -1.68 -1.16 116.42 118.31 1jx2 h ASP 711 Ca 0.43 -0.56 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 1jx2 h ASP 711 Cb 0.83 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 1jx2 h ASP 711 CO -0.17 1.36 0.14 0.15 -1.57 0.00 0.00 179.24 179.14 1jx2 h PHE 712 N 0.64 0.35 -0.62 4.55 3.57 -0.25 -2.73 116.94 122.45 1jx2 h PHE 712 Ca -0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1jx2 h PHE 712 Cb 1.23 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 1jx2 h PHE 712 CO 0.08 0.31 0.30 0.28 -2.23 0.00 0.00 178.31 177.05 1jx2 h VAL 713 N 0.29 1.21 -0.01 1.41 2.07 -1.11 0.35 116.25 120.47 1jx2 h VAL 713 Ca 0.09 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1jx2 h VAL 713 Cb 0.07 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1jx2 h VAL 713 CO -0.01 0.24 0.02 0.50 0.02 0.00 0.00 177.57 178.34 1jx2 h LYS 714 N 0.85 0.00 0.00 1.57 3.64 -1.00 -1.80 116.57 119.82 1jx2 h LYS 714 Ca 0.21 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.26 1jx2 h LYS 714 Cb 0.11 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1jx2 h LYS 714 CO -0.03 0.00 -2.26 -2.13 -2.27 0.00 0.00 179.45 172.76 1jx2 n ARG 715 N -3.67 0.77 -0.29 1.90 0.63 -0.85 -4.68 116.66 110.48 1jx2 n ARG 715 Ca -0.03 0.08 0.07 0.00 -0.92 0.00 0.00 57.85 57.05 1jx2 n ARG 715 Cb 0.10 -1.45 0.20 0.00 0.45 0.00 0.00 32.46 31.75 1jx2 n ARG 715 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1jx2 n TYR 716 N -2.98 0.69 -0.04 -0.14 4.02 0.05 -4.52 117.16 114.24 1jx2 n TYR 716 Ca -0.36 -0.62 0.07 0.00 -0.01 0.00 0.00 57.90 56.98 1jx2 n TYR 716 Cb 0.98 -0.13 0.45 0.00 -0.02 0.00 0.00 39.34 40.63 1jx2 n TYR 716 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 176.86 175.95 1jx2 h TYR 717 N 2.15 0.50 -0.02 -0.72 -0.00 -1.53 -1.24 116.97 116.10 1jx2 h TYR 717 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 58.73 58.75 1jx2 h TYR 717 Cb 1.00 -0.17 -0.00 0.00 0.00 0.00 0.00 36.73 37.56 1jx2 h TYR 717 CO 0.35 0.28 0.21 -0.07 -0.00 0.00 0.00 178.16 178.93 1jx2 h LEU 718 N 0.51 0.00 -0.59 0.10 3.38 -1.84 -1.71 115.31 115.16 1jx2 h LEU 718 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1jx2 h LEU 718 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jx2 h LEU 718 CO -0.05 0.00 -0.12 0.18 0.09 0.00 0.00 178.44 178.54 1jx2 n LEU 719 N -3.03 1.03 -4.04 1.67 4.77 -0.47 -4.87 117.00 112.06 1jx2 n LEU 719 Ca -0.02 -0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 55.56 1jx2 n LEU 719 Cb 0.27 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 1jx2 n LEU 719 CO 0.17 0.18 -0.39 0.00 -1.33 0.00 0.00 177.39 176.02 1jx2 s ALA 720 N -2.28 0.45 0.43 -1.18 0.00 -0.64 -4.83 121.76 113.70 1jx2 s ALA 720 Ca 0.32 -0.73 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 1jx2 s ALA 720 Cb 0.20 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.31 1jx2 s ALA 720 CO 0.44 -0.06 1.07 -2.14 0.00 0.00 0.00 175.76 175.06 1jx2 s PRO 721 N -1.59 3.99 -1.26 0.00 0.02 -1.26 -4.06 135.00 130.84 1jx2 s PRO 721 Ca -0.11 1.52 -0.03 0.00 0.02 0.00 0.00 61.00 62.39 1jx2 s PRO 721 Cb -0.10 -2.40 -0.01 0.00 0.02 0.00 0.00 34.50 32.01 1jx2 s PRO 721 CO -0.00 -0.29 0.73 0.09 -0.33 0.00 0.00 177.00 177.19 1jx2 n ASN 722 N -0.38 -2.19 -3.58 2.53 3.02 -1.26 -4.98 115.26 108.42 1jx2 n ASN 722 Ca 0.07 -0.84 -0.29 0.00 -0.03 0.00 0.00 54.58 53.48 1jx2 n ASN 722 Cb 0.50 -4.06 -0.14 0.00 -0.61 0.00 0.00 39.78 35.47 1jx2 n ASN 722 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jx2 s VAL 723 N -3.62 0.41 0.24 2.41 1.01 -1.26 -5.12 120.40 114.47 1jx2 s VAL 723 Ca 0.11 -1.47 -0.31 0.00 0.00 0.00 0.00 61.98 60.31 1jx2 s VAL 723 Cb -0.03 -1.31 -0.11 0.00 0.00 0.00 0.00 36.38 34.93 1jx2 s VAL 723 CO 0.81 -0.83 1.63 -2.16 0.00 0.00 0.00 175.10 174.55 1jx2 s PRO 724 N 1.40 4.14 0.22 2.72 0.04 -1.26 -4.70 135.00 137.56 1jx2 s PRO 724 Ca 0.13 2.54 0.09 0.00 0.04 0.00 0.00 61.00 63.80 1jx2 s PRO 724 Cb -0.20 -3.06 0.46 0.00 0.04 0.00 0.00 34.50 31.74 1jx2 s PRO 724 CO -0.16 -0.66 1.12 -2.13 0.04 0.00 0.00 177.00 175.20 1jx2 n ARG 725 N 3.11 0.06 -2.72 4.56 0.63 -1.26 -1.19 116.66 119.86 1jx2 n ARG 725 Ca 0.12 0.48 -0.06 0.00 -0.92 0.00 0.00 57.85 57.47 1jx2 n ARG 725 Cb 0.37 -1.97 0.04 0.00 0.45 0.00 0.00 32.46 31.35 1jx2 n ARG 725 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1jx2 n ASP 726 N -1.79 1.80 -4.51 6.15 3.85 -1.26 -3.66 116.55 117.12 1jx2 n ASP 726 Ca -0.01 -2.43 -0.39 0.00 -0.71 0.00 0.00 54.79 51.26 1jx2 n ASP 726 Cb 0.29 -0.49 0.04 0.00 -1.35 0.00 0.00 41.12 39.61 1jx2 n ASP 726 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jx2 n ALA 727 N -0.39 -0.80 -0.05 2.12 0.00 -0.33 -4.90 120.51 116.16 1jx2 n ALA 727 Ca 0.11 0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 1jx2 n ALA 727 Cb 0.81 -1.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 1jx2 n ALA 727 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1jx2 h GLU 728 N 0.45 0.30 -4.57 0.00 4.81 -1.99 -3.35 114.58 110.22 1jx2 h GLU 728 Ca -0.46 -0.13 -0.73 0.00 -0.13 0.00 0.00 59.36 57.91 1jx2 h GLU 728 Cb 1.39 -0.01 -0.21 0.00 0.63 0.00 0.00 28.75 30.55 1jx2 h GLU 728 CO 0.49 0.63 0.65 0.34 -0.73 0.00 0.00 179.01 180.39 1jx2 s ASP 729 N -5.96 6.75 0.25 1.04 -1.08 -1.26 -4.89 116.67 111.52 1jx2 s ASP 729 Ca -0.14 -2.41 -0.04 0.00 -0.52 0.00 0.00 52.55 49.44 1jx2 s ASP 729 Cb 0.05 -2.33 0.37 0.00 -1.46 0.00 0.00 42.92 39.54 1jx2 s ASP 729 CO 0.73 -0.85 1.87 0.28 0.52 0.00 0.00 175.17 177.73 1jx2 h SER 730 N 8.24 0.97 -0.64 -0.34 0.02 -1.94 -2.12 113.55 117.74 1jx2 h SER 730 Ca 0.16 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 1jx2 h SER 730 Cb 1.01 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 1jx2 h SER 730 CO 1.01 0.63 0.12 -0.61 -1.14 0.00 0.00 176.83 176.83 1jx2 h GLN 731 N 1.11 1.06 -0.45 3.45 4.15 -1.90 0.20 115.11 122.72 1jx2 h GLN 731 Ca 0.41 -0.28 -0.12 0.00 0.77 0.00 0.00 58.65 59.42 1jx2 h GLN 731 Cb 0.15 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1jx2 h GLN 731 CO -0.17 0.97 -0.21 -0.22 -1.93 0.00 0.00 178.83 177.28 1jx2 h LYS 732 N 0.98 0.91 -0.00 1.69 3.64 -1.90 -1.39 116.57 120.50 1jx2 h LYS 732 Ca 0.20 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1jx2 h LYS 732 Cb 0.42 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1jx2 h LYS 732 CO 0.01 1.03 0.00 0.00 -2.27 0.00 0.00 179.45 178.22 1jx2 h ALA 733 N 0.96 0.00 -0.52 5.00 0.00 -1.17 -0.74 119.26 122.79 1jx2 h ALA 733 Ca 0.11 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1jx2 h ALA 733 Cb 0.76 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1jx2 h ALA 733 CO 0.06 -0.40 -0.01 1.15 0.00 0.00 0.00 179.25 180.05 1jx2 h THR 734 N -0.18 0.58 -0.95 0.00 2.02 -0.79 0.36 112.91 113.95 1jx2 h THR 734 Ca 0.00 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1jx2 h THR 734 Cb 0.19 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 1jx2 h THR 734 CO -0.00 0.02 0.61 -0.78 0.37 0.00 0.00 175.52 175.74 1jx2 h ASP 735 N 0.10 0.94 -0.21 4.18 -0.00 -1.00 -2.00 116.42 118.43 1jx2 h ASP 735 Ca 0.26 0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.31 1jx2 h ASP 735 Cb 0.40 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.54 1jx2 h ASP 735 CO -0.45 0.58 0.12 0.00 -0.00 0.00 0.00 179.24 179.50 1jx2 h ALA 736 N 1.50 0.27 0.16 -0.78 0.00 0.12 -1.73 119.26 118.81 1jx2 h ALA 736 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1jx2 h ALA 736 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jx2 h ALA 736 CO -0.17 -0.22 -0.15 0.28 0.00 0.00 0.00 179.25 178.99 1jx2 h VAL 737 N 0.25 0.68 -0.81 0.00 2.07 -0.59 -1.63 116.25 116.21 1jx2 h VAL 737 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1jx2 h VAL 737 Cb 0.03 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1jx2 h VAL 737 CO -0.01 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 178.04 1jx2 h LEU 738 N -0.33 0.84 -0.13 2.57 3.38 -1.29 -1.20 115.31 119.15 1jx2 h LEU 738 Ca -0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1jx2 h LEU 738 Cb 0.31 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jx2 h LEU 738 CO -0.03 0.57 -0.05 0.11 0.09 0.00 0.00 178.44 179.14 1jx2 h LYS 739 N 0.97 0.26 -0.24 1.13 1.57 -1.10 -0.49 116.57 118.67 1jx2 h LYS 739 Ca 0.33 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1jx2 h LYS 739 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1jx2 h LYS 739 CO -0.10 0.58 0.13 1.25 -0.57 0.00 0.00 179.45 180.74 1jx2 h HIS 740 N -0.07 0.32 -0.00 -1.35 2.76 -0.93 0.27 115.15 116.14 1jx2 h HIS 740 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1jx2 h HIS 740 Cb 0.49 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1jx2 h HIS 740 CO 0.06 0.23 -0.05 1.28 -1.30 0.00 0.00 177.93 178.15 1jx2 n LEU 741 N -4.47 0.15 -3.63 0.26 4.77 -0.49 -4.92 117.00 108.67 1jx2 n LEU 741 Ca 0.01 0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.96 1jx2 n LEU 741 Cb 0.10 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1jx2 n LEU 741 CO 0.35 0.03 0.23 0.59 -1.33 0.00 0.00 177.39 177.26 1jx2 n ASN 742 N -1.23 -6.08 -4.77 -1.43 3.02 0.96 -4.95 115.26 100.79 1jx2 n ASN 742 Ca 0.13 -0.57 -0.39 0.00 -0.03 0.00 0.00 54.58 53.72 1jx2 n ASN 742 Cb 0.26 -4.91 -0.02 0.00 -0.61 0.00 0.00 39.78 34.50 1jx2 n ASN 742 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jx2 s ILE 743 N -3.32 3.12 -0.14 2.41 -1.09 -0.28 -4.94 121.20 116.96 1jx2 s ILE 743 Ca 0.58 1.02 -0.29 0.00 -2.23 0.00 0.00 60.65 59.73 1jx2 s ILE 743 Cb -0.26 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1jx2 s ILE 743 CO 0.74 0.16 1.60 -0.62 -1.23 0.00 0.00 174.94 175.60 1jx2 s ASP 744 N -0.93 6.56 0.49 3.58 2.15 -1.26 -4.88 116.67 122.37 1jx2 s ASP 744 Ca 0.53 1.91 0.33 0.00 0.43 0.00 0.00 52.55 55.74 1jx2 s ASP 744 Cb -0.33 -2.53 1.44 0.00 -0.30 0.00 0.00 42.92 41.20 1jx2 s ASP 744 CO 0.42 -1.06 1.72 -0.65 -0.17 0.00 0.00 175.17 175.44 1jx2 h PRO 745 N 9.97 0.11 0.00 4.34 0.11 -1.92 0.41 132.00 145.02 1jx2 h PRO 745 Ca -0.35 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1jx2 h PRO 745 Cb 1.16 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jx2 h PRO 745 CO 0.98 0.08 -0.06 1.49 -0.21 0.00 0.00 178.00 180.28 1jx2 h GLU 746 N 0.12 0.00 0.00 1.05 4.57 -2.03 -2.95 114.58 115.34 1jx2 h GLU 746 Ca 0.68 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.86 1jx2 h GLU 746 Cb 2.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.94 1jx2 h GLU 746 CO -0.17 0.06 0.00 1.04 -1.18 0.00 0.00 179.01 178.75 1jx2 n GLN 747 N -3.17 0.96 -3.74 1.92 1.13 0.14 -4.88 117.38 109.75 1jx2 n GLN 747 Ca 0.01 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.98 1jx2 n GLN 747 Cb 0.35 -1.31 -0.03 0.00 0.11 0.00 0.00 30.24 29.36 1jx2 n GLN 747 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1jx2 s TYR 748 N -2.00 -0.19 -0.06 1.08 -0.85 -1.11 -1.26 117.35 112.95 1jx2 s TYR 748 Ca 0.29 -0.17 -0.06 0.00 -0.52 0.00 0.00 57.07 56.61 1jx2 s TYR 748 Cb 0.13 0.52 0.02 0.00 0.38 0.00 0.00 41.96 43.01 1jx2 s TYR 748 CO 0.22 -1.02 0.17 0.50 -1.52 0.00 0.00 175.55 173.90 1jx2 s ARG 749 N -3.88 0.23 -0.33 -3.49 6.06 0.59 -4.95 118.95 113.18 1jx2 s ARG 749 Ca 0.09 0.18 -0.23 0.00 -2.50 0.00 0.00 55.73 53.28 1jx2 s ARG 749 Cb -0.03 0.11 0.00 0.00 0.06 0.00 0.00 34.95 35.10 1jx2 s ARG 749 CO -0.01 -0.03 0.76 -0.06 -2.50 0.00 0.00 175.30 173.46 1jx2 s PHE 750 N -0.05 3.17 0.63 5.12 0.08 -1.26 0.11 117.98 125.78 1jx2 s PHE 750 Ca -0.01 0.67 0.04 0.00 0.12 0.00 0.00 56.93 57.75 1jx2 s PHE 750 Cb -0.02 -3.26 0.10 0.00 -0.57 0.00 0.00 43.02 39.27 1jx2 s PHE 750 CO 0.00 -0.62 0.87 0.20 -0.10 0.00 0.00 175.22 175.58 1jx2 s GLY 751 N 1.71 1.76 0.31 4.36 0.00 0.71 -4.90 107.32 111.28 1jx2 s GLY 751 Ca 0.31 -1.89 0.04 0.00 0.00 0.00 0.00 44.72 43.18 1jx2 s GLY 751 CO 0.14 -1.40 1.78 -2.22 0.00 0.00 0.00 173.10 171.41 1jx2 h ILE 752 N -0.14 1.24 0.00 0.90 2.04 -1.71 -3.35 117.51 116.49 1jx2 h ILE 752 Ca -0.34 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1jx2 h ILE 752 Cb 1.28 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1jx2 h ILE 752 CO 0.41 0.35 -0.06 0.35 0.00 0.00 0.00 178.15 179.21 1jx2 n THR 753 N -4.17 0.00 -4.13 -0.27 -2.24 -1.26 -5.07 114.28 97.14 1jx2 n THR 753 Ca 0.00 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1jx2 n THR 753 Cb 0.35 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 1jx2 n THR 753 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jx2 s LYS 754 N -0.53 0.72 -0.06 -0.78 1.02 -1.26 -2.42 119.74 116.42 1jx2 s LYS 754 Ca 0.00 -1.06 -0.15 0.00 0.02 0.00 0.00 55.97 54.78 1jx2 s LYS 754 Cb 0.00 -0.32 -0.05 0.00 -0.52 0.00 0.00 37.83 36.94 1jx2 s LYS 754 CO 0.00 0.03 0.39 -1.50 -0.92 0.00 0.00 175.35 173.35 1jx2 s ILE 755 N -2.45 5.14 -0.09 2.17 1.10 0.67 -0.21 121.20 127.54 1jx2 s ILE 755 Ca 0.02 0.78 -0.00 0.00 -0.51 0.00 0.00 60.65 60.93 1jx2 s ILE 755 Cb -0.03 -3.70 -0.03 0.00 0.15 0.00 0.00 42.46 38.85 1jx2 s ILE 755 CO -0.02 0.49 -0.05 -0.36 -2.11 0.00 0.00 174.94 172.89 1jx2 s PHE 756 N -0.40 3.00 0.07 3.50 0.40 0.12 -1.27 117.98 123.40 1jx2 s PHE 756 Ca 0.22 -0.00 0.07 0.00 -0.60 0.00 0.00 56.93 56.62 1jx2 s PHE 756 Cb -0.15 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1jx2 s PHE 756 CO 0.10 0.30 -0.19 -0.06 0.70 0.00 0.00 175.22 176.07 1jx2 s PHE 757 N -0.63 1.60 0.65 0.36 0.40 0.11 -0.30 117.98 120.17 1jx2 s PHE 757 Ca 0.10 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 1jx2 s PHE 757 Cb -0.12 -0.91 -0.01 0.00 0.51 0.00 0.00 43.02 42.49 1jx2 s PHE 757 CO 0.02 0.12 1.06 1.03 0.70 0.00 0.00 175.22 178.15 1jx2 s ARG 758 N -1.56 3.13 0.12 0.44 1.81 -0.39 -3.30 118.95 119.20 1jx2 s ARG 758 Ca 0.04 1.05 -0.35 0.00 -1.72 0.00 0.00 55.73 54.75 1jx2 s ARG 758 Cb -0.09 -2.01 -0.15 0.00 -0.45 0.00 0.00 34.95 32.25 1jx2 s ARG 758 CO 0.03 -0.95 1.51 0.00 -0.68 0.00 0.00 175.30 175.21 1jx2 n ALA 759 N -2.64 0.54 0.00 2.13 0.00 -1.26 -2.00 120.51 117.28 1jx2 n ALA 759 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1jx2 n ALA 759 Cb 0.53 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1jx2 n ALA 759 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jx2 n GLY 760 N 3.16 2.83 0.11 0.00 0.00 -1.26 -4.91 105.19 105.12 1jx2 n GLY 760 Ca 0.18 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1jx2 n GLY 760 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jx2 h GLN 761 N 0.00 -0.09 -0.92 1.61 5.75 -1.75 -1.53 115.11 118.17 1jx2 h GLN 761 Ca 0.00 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1jx2 h GLN 761 Cb 0.00 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.53 1jx2 h GLN 761 CO 0.00 -0.06 0.61 1.25 -2.65 0.00 0.00 178.83 177.98 1jx2 h LEU 762 N -0.10 1.05 -1.44 -2.39 5.85 -1.91 -1.38 115.31 114.99 1jx2 h LEU 762 Ca 0.04 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1jx2 h LEU 762 Cb 0.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1jx2 h LEU 762 CO -0.09 0.76 -0.07 0.00 -0.34 0.00 0.00 178.44 178.70 1jx2 h ALA 763 N 1.43 1.54 -0.07 1.25 0.00 -1.78 -0.74 119.26 120.91 1jx2 h ALA 763 Ca 0.34 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1jx2 h ALA 763 Cb -0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jx2 h ALA 763 CO -0.07 0.33 -0.67 0.00 0.00 0.00 0.00 179.25 178.83 1jx2 h ARG 764 N 0.27 0.28 -0.25 0.00 3.08 -0.25 -2.12 114.38 115.39 1jx2 h ARG 764 Ca 0.06 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.73 1jx2 h ARG 764 Cb 0.30 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1jx2 h ARG 764 CO 0.01 0.85 -0.50 0.82 -1.07 0.00 0.00 179.97 180.09 1jx2 h ILE 765 N 0.20 1.30 -0.40 2.04 2.04 -0.71 -2.14 117.51 119.83 1jx2 h ILE 765 Ca -0.02 -1.70 -0.07 0.00 1.00 0.00 0.00 64.86 64.07 1jx2 h ILE 765 Cb 1.21 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1jx2 h ILE 765 CO 0.11 0.54 -0.04 -0.08 0.00 0.00 0.00 178.15 178.68 1jx2 h GLU 766 N 0.54 0.67 -0.10 2.37 4.57 -1.08 -1.18 114.58 120.38 1jx2 h GLU 766 Ca 0.02 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 57.92 1jx2 h GLU 766 Cb 1.06 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 1jx2 h GLU 766 CO 0.10 0.71 -0.41 0.93 -1.18 0.00 0.00 179.01 179.16 1jx2 h GLU 767 N 0.62 0.21 -0.33 1.92 5.08 -1.19 -0.69 114.58 120.21 1jx2 h GLU 767 Ca 0.12 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1jx2 h GLU 767 Cb 0.45 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1jx2 h GLU 767 CO 0.02 0.59 -0.38 0.00 -1.00 0.00 0.00 179.01 178.24 1jx2 h ALA 768 N 1.40 0.69 -0.39 3.43 0.00 -0.65 -1.33 119.26 122.42 1jx2 h ALA 768 Ca 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1jx2 h ALA 768 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1jx2 h ALA 768 CO 0.06 0.67 0.14 -0.09 0.00 0.00 0.00 179.25 180.02 1jx2 h ARG 769 N 0.65 0.59 -0.21 0.00 2.43 -0.82 -0.08 114.38 116.94 1jx2 h ARG 769 Ca 0.06 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1jx2 h ARG 769 Cb 0.94 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1jx2 h ARG 769 CO 0.09 0.58 0.06 0.93 -1.51 0.00 0.00 179.97 180.11 1jx2 h GLU 770 N 0.48 0.15 -0.79 0.20 4.39 -0.93 -0.06 114.58 118.01 1jx2 h GLU 770 Ca 0.13 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1jx2 h GLU 770 Cb 0.22 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 1jx2 h GLU 770 CO -0.01 0.10 0.47 1.96 -1.16 0.00 0.00 179.01 180.37 1jx2 h GLN 771 N 0.15 1.07 -0.17 2.33 4.20 -1.07 -1.79 115.11 119.84 1jx2 h GLN 771 Ca 0.09 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1jx2 h GLN 771 Cb 0.07 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1jx2 h GLN 771 CO -0.11 0.76 0.10 -0.09 -0.67 0.00 0.00 178.83 178.82 1jx2 h ARG 772 N 1.08 0.23 -0.49 1.46 9.65 -0.60 -0.36 114.38 125.35 1jx2 h ARG 772 Ca 0.28 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.21 1jx2 h ARG 772 Cb -0.04 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.44 1jx2 h ARG 772 CO -0.05 0.20 0.14 0.82 2.80 0.00 0.00 179.97 183.88 1jx2 h ILE 773 N 0.20 0.79 -0.64 1.20 1.08 -0.73 -2.01 117.51 117.40 1jx2 h ILE 773 Ca 0.06 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 1jx2 h ILE 773 Cb 0.03 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 1jx2 h ILE 773 CO -0.01 0.05 0.32 -1.28 -0.69 0.00 0.00 178.15 176.55 1jx2 h SER 774 N 0.30 0.83 -0.41 1.72 0.87 -0.95 -2.98 113.55 112.93 1jx2 h SER 774 Ca 0.24 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1jx2 h SER 774 Cb 0.28 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1jx2 h SER 774 CO -0.27 0.72 0.26 -0.33 -0.53 0.00 0.00 176.83 176.67 1jx2 h GLU 775 N 0.88 0.57 -0.03 2.24 5.08 -0.37 -3.46 114.58 119.51 1jx2 h GLU 775 Ca 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1jx2 h GLU 775 Cb 0.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1jx2 h GLU 775 CO -0.03 0.41 0.00 0.44 -1.00 0.00 0.00 179.01 178.83