#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xoi h VAL 24 N 0.00 1.21 -0.30 3.53 2.07 -2.00 -1.49 116.25 119.27 1xoi h VAL 24 Ca 0.00 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1xoi h VAL 24 Cb 0.00 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 1xoi h VAL 24 CO 0.00 0.22 0.04 0.00 0.02 0.00 0.00 177.57 177.85 1xoi h ALA 25 N 1.35 0.40 -0.33 1.67 0.00 -2.00 -2.08 119.26 118.27 1xoi h ALA 25 Ca 0.34 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1xoi h ALA 25 Cb -0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1xoi h ALA 25 CO -0.09 0.10 -0.16 0.93 0.00 0.00 0.00 179.25 180.03 1xoi h GLU 26 N 0.31 0.59 -0.52 0.00 4.39 -1.95 -1.96 114.58 115.45 1xoi h GLU 26 Ca 0.09 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1xoi h GLU 26 Cb 0.36 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1xoi h GLU 26 CO 0.01 0.73 0.14 -0.07 -1.16 0.00 0.00 179.01 178.66 1xoi h LEU 27 N 0.54 0.78 -0.89 1.33 3.38 -1.14 0.34 115.31 119.65 1xoi h LEU 27 Ca 0.09 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1xoi h LEU 27 Cb 0.59 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1xoi h LEU 27 CO 0.04 0.80 0.14 0.11 0.09 0.00 0.00 178.44 179.61 1xoi h LYS 28 N 0.72 0.96 -0.45 1.13 1.57 -1.16 0.64 116.57 119.98 1xoi h LYS 28 Ca 0.16 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1xoi h LYS 28 Cb 0.32 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1xoi h LYS 28 CO -0.00 0.86 0.16 -0.22 -0.57 0.00 0.00 179.45 179.68 1xoi h LYS 29 N 0.91 0.69 -0.34 3.15 3.64 -1.03 -1.68 116.57 121.91 1xoi h LYS 29 Ca 0.19 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1xoi h LYS 29 Cb 0.34 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1xoi h LYS 29 CO 0.00 0.65 0.02 0.77 -2.27 0.00 0.00 179.45 178.62 1xoi h SER 30 N 0.59 0.57 -0.30 4.20 0.02 -0.52 -1.19 113.55 116.92 1xoi h SER 30 Ca 0.15 -0.29 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1xoi h SER 30 Cb 0.23 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 1xoi h SER 30 CO -0.01 0.72 -0.02 0.15 -1.14 0.00 0.00 176.83 176.53 1xoi h PHE 31 N 0.41 -0.06 -0.54 3.45 3.04 -0.73 -0.13 116.94 122.38 1xoi h PHE 31 Ca 0.10 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 1xoi h PHE 31 Cb 0.41 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 1xoi h PHE 31 CO 0.03 -0.08 0.23 -0.91 -2.02 0.00 0.00 178.31 175.57 1xoi h ASN 32 N 0.06 0.70 -0.40 0.41 -0.26 -1.15 -0.41 115.58 114.53 1xoi h ASN 32 Ca 0.15 -0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 1xoi h ASN 32 Cb 0.20 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1xoi h ASN 32 CO -0.27 0.62 0.15 -0.09 -1.06 0.00 0.00 177.43 176.78 1xoi h ARG 33 N 0.77 0.61 -0.25 0.81 2.43 0.01 -2.04 114.38 116.71 1xoi h ARG 33 Ca 0.19 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 1xoi h ARG 33 Cb 0.13 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1xoi h ARG 33 CO -0.02 0.58 -0.51 0.45 -1.51 0.00 0.00 179.97 178.96 1xoi h HIS 34 N 0.50 0.86 -0.99 2.20 3.86 -0.69 -0.22 115.15 120.68 1xoi h HIS 34 Ca 0.13 -0.29 0.04 0.00 -1.16 0.00 0.00 60.37 59.09 1xoi h HIS 34 Cb 0.21 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.45 1xoi h HIS 34 CO 0.00 1.06 0.65 1.25 0.86 0.00 0.00 177.93 181.75 1xoi h LEU 35 N 0.55 1.07 0.09 2.43 5.85 -0.93 0.27 115.31 124.65 1xoi h LEU 35 Ca 0.02 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1xoi h LEU 35 Cb 1.07 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1xoi h LEU 35 CO 0.10 0.73 -0.04 -0.74 -0.34 0.00 0.00 178.44 178.15 1xoi h HIS 36 N 1.24 -0.11 -0.02 1.25 2.76 -1.22 -1.50 115.15 117.55 1xoi h HIS 36 Ca 0.40 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.40 1xoi h HIS 36 Cb 0.02 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1xoi h HIS 36 CO -0.00 -0.07 -0.74 0.74 -1.30 0.00 0.00 177.93 176.56 1xoi h PHE 37 N -0.33 0.23 0.09 5.26 0.04 -1.09 -1.26 116.94 119.89 1xoi h PHE 37 Ca -0.01 -0.11 -0.36 0.00 2.80 0.00 0.00 57.97 60.29 1xoi h PHE 37 Cb 0.09 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 1xoi h PHE 37 CO 0.05 0.84 -2.04 2.41 -0.60 0.00 0.00 178.31 178.97 1xoi n THR 38 N -3.75 1.71 1.01 -1.55 -1.04 0.82 -4.45 114.28 107.03 1xoi n THR 38 Ca -0.03 -0.59 0.11 0.00 -2.04 0.00 0.00 64.05 61.50 1xoi n THR 38 Cb 0.71 -1.71 -0.04 0.00 -1.82 0.00 0.00 70.33 67.47 1xoi n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xoi n LEU 39 N -3.53 1.35 -3.75 -4.42 7.99 -0.34 -5.00 117.00 109.29 1xoi n LEU 39 Ca -0.35 -0.56 -0.23 0.00 -0.01 0.00 0.00 56.01 54.87 1xoi n LEU 39 Cb 1.01 -0.02 0.02 0.00 -0.11 0.00 0.00 43.42 44.32 1xoi n LEU 39 CO 0.37 0.29 -0.08 0.52 -1.51 0.00 0.00 177.39 176.98 1xoi n VAL 40 N -0.94 -4.09 -4.20 4.08 0.31 -0.47 -4.96 118.33 108.05 1xoi n VAL 40 Ca 0.06 -0.46 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 1xoi n VAL 40 Cb 0.38 -3.55 -0.10 0.00 -0.91 0.00 0.00 33.84 29.67 1xoi n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1xoi s LYS 41 N -6.11 1.16 0.28 5.55 -0.14 -0.61 -5.01 119.74 114.85 1xoi s LYS 41 Ca 0.05 -1.60 0.05 0.00 -1.36 0.00 0.00 55.97 53.11 1xoi s LYS 41 Cb -0.02 0.17 -0.06 0.00 -1.68 0.00 0.00 37.83 36.24 1xoi s LYS 41 CO 0.82 -0.34 -0.00 0.16 -0.76 0.00 0.00 175.35 175.23 1xoi s ASP 42 N -3.15 2.36 0.63 2.83 3.84 -1.26 -3.81 116.67 118.11 1xoi s ASP 42 Ca 0.35 -1.26 0.32 0.00 -0.00 0.00 0.00 52.55 51.95 1xoi s ASP 42 Cb 0.07 -0.09 1.74 0.00 -1.38 0.00 0.00 42.92 43.26 1xoi s ASP 42 CO 0.09 -0.48 2.05 0.03 -0.00 0.00 0.00 175.17 176.86 1xoi h ARG 43 N 2.28 0.00 0.00 2.11 2.47 -1.98 -0.10 114.38 119.16 1xoi h ARG 43 Ca -0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1xoi h ARG 43 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1xoi h ARG 43 CO 0.67 0.00 -0.78 0.27 0.56 0.00 0.00 179.97 180.69 1xoi n ASN 44 N -3.35 0.64 -0.00 7.04 0.23 -1.26 -4.23 115.26 114.32 1xoi n ASN 44 Ca 0.01 -0.07 0.03 0.00 -0.53 0.00 0.00 54.58 54.02 1xoi n ASN 44 Cb 0.36 0.44 -0.04 0.00 -2.08 0.00 0.00 39.78 38.47 1xoi n ASN 44 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1xoi n VAL 45 N -1.98 0.00 -1.86 3.53 0.31 -0.72 -5.04 118.33 112.57 1xoi n VAL 45 Ca 0.03 -0.27 -0.39 0.00 -0.01 0.00 0.00 64.34 63.70 1xoi n VAL 45 Cb 0.43 0.75 0.02 0.00 -0.91 0.00 0.00 33.84 34.13 1xoi n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xoi s ALA 46 N -1.85 3.00 0.47 3.52 0.00 -0.13 -4.90 121.76 121.87 1xoi s ALA 46 Ca 0.00 1.32 0.09 0.00 0.00 0.00 0.00 51.96 53.37 1xoi s ALA 46 Cb 0.04 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1xoi s ALA 46 CO 0.22 -1.20 0.65 0.95 0.00 0.00 0.00 175.76 176.38 1xoi s THR 47 N -1.29 2.71 0.21 0.00 -4.23 -1.26 -4.98 115.64 106.80 1xoi s THR 47 Ca 0.66 -1.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1xoi s THR 47 Cb -0.40 -2.72 0.13 0.00 1.34 0.00 0.00 72.50 70.85 1xoi s THR 47 CO 0.49 0.00 1.74 0.74 -0.54 0.00 0.00 174.62 177.04 1xoi h THR 48 N 0.48 1.26 -0.81 3.99 2.02 -2.00 -1.90 112.91 115.96 1xoi h THR 48 Ca -0.37 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1xoi h THR 48 Cb 1.28 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1xoi h THR 48 CO 0.44 0.37 0.37 -0.09 0.37 0.00 0.00 175.52 176.98 1xoi h ARG 49 N 1.05 1.18 -0.60 6.66 2.43 -1.95 -1.19 114.38 121.96 1xoi h ARG 49 Ca 0.22 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xoi h ARG 49 Cb 0.36 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1xoi h ARG 49 CO 0.00 0.92 0.39 -0.44 -1.51 0.00 0.00 179.97 179.32 1xoi h ASP 50 N 1.16 0.70 -0.67 -3.80 3.32 -1.81 -0.56 116.42 114.76 1xoi h ASP 50 Ca 0.28 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1xoi h ASP 50 Cb 0.14 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1xoi h ASP 50 CO -0.03 0.53 0.29 1.88 -1.72 0.00 0.00 179.24 180.18 1xoi h TYR 51 N 0.82 1.00 -0.41 4.55 0.05 -0.81 0.24 116.97 122.42 1xoi h TYR 51 Ca 0.22 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.94 1xoi h TYR 51 Cb -0.07 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.34 1xoi h TYR 51 CO -0.03 0.77 0.26 -0.92 -1.05 0.00 0.00 178.16 177.20 1xoi h TYR 52 N 0.95 0.50 -0.73 4.88 3.20 -0.79 -0.84 116.97 124.14 1xoi h TYR 52 Ca 0.23 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1xoi h TYR 52 Cb 0.17 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1xoi h TYR 52 CO 0.01 0.31 0.32 0.74 -1.64 0.00 0.00 178.16 177.90 1xoi h PHE 53 N 0.54 1.08 -0.47 -3.82 0.04 -0.71 0.17 116.94 113.76 1xoi h PHE 53 Ca 0.15 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1xoi h PHE 53 Cb -0.05 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.75 1xoi h PHE 53 CO -0.05 0.81 0.27 0.00 -0.60 0.00 0.00 178.31 178.74 1xoi h ALA 54 N 1.15 0.60 -0.30 2.45 0.00 -0.59 -0.86 119.26 121.73 1xoi h ALA 54 Ca 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1xoi h ALA 54 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xoi h ALA 54 CO -0.03 0.12 0.02 1.25 0.00 0.00 0.00 179.25 180.62 1xoi h LEU 55 N 0.62 0.50 -0.71 0.00 5.85 -0.86 -1.58 115.31 119.13 1xoi h LEU 55 Ca 0.17 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.68 1xoi h LEU 55 Cb 0.04 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 1xoi h LEU 55 CO -0.03 0.66 0.37 0.00 -0.34 0.00 0.00 178.44 179.10 1xoi h ALA 56 N 0.85 0.97 -0.38 1.25 0.00 -0.42 -0.79 119.26 120.75 1xoi h ALA 56 Ca 0.09 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1xoi h ALA 56 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xoi h ALA 56 CO 0.01 0.00 -0.29 0.45 0.00 0.00 0.00 179.25 179.42 1xoi h HIS 57 N 0.65 0.95 -0.59 0.00 3.86 -1.03 0.13 115.15 119.12 1xoi h HIS 57 Ca 0.34 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1xoi h HIS 57 Cb 0.30 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 1xoi h HIS 57 CO -0.09 1.01 0.36 1.15 0.86 0.00 0.00 177.93 181.22 1xoi h THR 58 N 0.70 1.17 -0.12 2.45 2.02 -0.51 -1.74 112.91 116.88 1xoi h THR 58 Ca 0.08 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 1xoi h THR 58 Cb 0.84 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1xoi h THR 58 CO 0.07 0.17 -0.21 0.58 0.37 0.00 0.00 175.52 176.50 1xoi h VAL 59 N 0.80 1.37 -0.99 3.16 2.07 -1.05 -3.25 116.25 118.35 1xoi h VAL 59 Ca 0.21 -1.47 0.16 0.00 0.82 0.00 0.00 66.70 66.42 1xoi h VAL 59 Cb -0.03 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 31.67 1xoi h VAL 59 CO -0.04 0.43 0.61 -0.09 0.02 0.00 0.00 177.57 178.50 1xoi h ARG 60 N -0.05 0.83 -0.56 1.57 2.43 -0.53 -0.79 114.38 117.28 1xoi h ARG 60 Ca 0.01 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.27 1xoi h ARG 60 Cb 0.79 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1xoi h ARG 60 CO 0.05 0.55 0.39 -0.44 -1.51 0.00 0.00 179.97 179.01 1xoi h ASP 61 N 0.86 0.14 0.90 -3.80 3.32 -1.35 -0.65 116.42 115.83 1xoi h ASP 61 Ca 0.54 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1xoi h ASP 61 Cb 0.70 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1xoi h ASP 61 CO -0.33 0.08 0.00 1.41 -1.72 0.00 0.00 179.24 178.68 1xoi n HIS 62 N -4.42 0.87 0.04 4.55 8.25 -0.30 -3.22 115.22 120.98 1xoi n HIS 62 Ca 0.10 0.32 -0.15 0.00 -0.26 0.00 0.00 57.72 57.73 1xoi n HIS 62 Cb 0.53 -1.02 -0.14 0.00 1.12 0.00 0.00 29.99 30.48 1xoi n HIS 62 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xoi h LEU 63 N 0.00 0.30 -0.51 2.41 3.38 -1.20 -3.41 115.31 116.27 1xoi h LEU 63 Ca 0.00 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.57 1xoi h LEU 63 Cb 0.45 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1xoi h LEU 63 CO 0.00 1.38 -0.53 0.58 0.09 0.00 0.00 178.44 179.96 1xoi h VAL 64 N 0.05 0.00 -0.48 1.22 2.07 -1.57 0.10 116.25 117.65 1xoi h VAL 64 Ca -0.25 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.36 1xoi h VAL 64 Cb 2.00 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.67 1xoi h VAL 64 CO 0.14 0.00 -0.27 1.23 0.02 0.00 0.00 177.57 178.69 1xoi h GLY 65 N -0.29 -0.01 2.00 2.17 0.00 -1.79 -0.98 103.07 104.17 1xoi h GLY 65 Ca 0.09 0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.65 1xoi h GLY 65 CO -0.63 -0.21 -0.51 3.21 0.00 0.00 0.00 176.54 178.40 1xoi h ARG 66 N -0.16 0.00 -0.26 4.80 3.08 -1.73 -2.37 114.38 117.74 1xoi h ARG 66 Ca 0.21 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.21 1xoi h ARG 66 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1xoi h ARG 66 CO -0.57 0.51 -0.07 2.35 -1.07 0.00 0.00 179.97 181.12 1xoi h TRP 67 N 0.00 0.57 -0.14 3.04 7.01 0.14 0.07 115.95 126.64 1xoi h TRP 67 Ca -0.01 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 60.86 1xoi h TRP 67 Cb 1.00 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 1xoi h TRP 67 CO 0.00 0.72 0.05 0.82 -2.79 0.00 0.00 178.44 177.24 1xoi h ILE 68 N 0.26 1.18 -0.55 2.65 2.04 -1.19 -2.57 117.51 119.32 1xoi h ILE 68 Ca 0.07 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 1xoi h ILE 68 Cb 0.54 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1xoi h ILE 68 CO 0.03 0.16 0.09 0.03 0.00 0.00 0.00 178.15 178.46 1xoi h ARG 69 N 0.05 0.88 0.30 2.37 3.08 -1.39 -1.45 114.38 118.23 1xoi h ARG 69 Ca 0.05 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1xoi h ARG 69 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1xoi h ARG 69 CO -0.00 0.82 -0.15 1.15 -1.07 0.00 0.00 179.97 180.72 1xoi h THR 70 N 0.83 0.72 -0.22 2.04 2.02 -0.89 0.16 112.91 117.57 1xoi h THR 70 Ca 0.17 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1xoi h THR 70 Cb 0.37 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1xoi h THR 70 CO 0.01 0.03 -0.04 1.56 0.37 0.00 0.00 175.52 177.45 1xoi h GLN 71 N -0.49 0.34 -0.46 6.66 1.08 -1.40 -1.60 115.11 119.24 1xoi h GLN 71 Ca -0.04 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 56.99 1xoi h GLN 71 Cb 0.37 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1xoi h GLN 71 CO 0.07 0.40 -0.11 0.37 -0.95 0.00 0.00 178.83 178.61 1xoi h GLN 72 N 0.33 0.88 -0.61 1.46 5.75 -0.96 -2.68 115.11 119.28 1xoi h GLN 72 Ca 0.07 -0.34 0.03 0.00 -0.15 0.00 0.00 58.65 58.27 1xoi h GLN 72 Cb 0.29 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1xoi h GLN 72 CO 0.01 0.98 0.37 1.25 -2.65 0.00 0.00 178.83 178.79 1xoi h HIS 73 N 0.72 0.68 -0.31 3.99 2.76 0.12 0.18 115.15 123.29 1xoi h HIS 73 Ca 0.12 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 1xoi h HIS 73 Cb 0.66 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 1xoi h HIS 73 CO 0.05 0.38 0.06 1.88 -1.30 0.00 0.00 177.93 178.99 1xoi h TYR 74 N 0.71 0.46 -0.04 5.26 0.05 -1.18 0.58 116.97 122.81 1xoi h TYR 74 Ca 0.25 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 1xoi h TYR 74 Cb 0.06 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.66 1xoi h TYR 74 CO -0.06 0.42 -0.07 -0.92 -1.05 0.00 0.00 178.16 176.48 1xoi h TYR 75 N 0.45 0.16 0.07 4.88 3.20 -0.99 -0.11 116.97 124.63 1xoi h TYR 75 Ca 0.11 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1xoi h TYR 75 Cb 0.21 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1xoi h TYR 75 CO 0.01 0.65 -0.03 -0.44 -1.64 0.00 0.00 178.16 176.70 1xoi h ASP 76 N -0.37 -0.08 1.41 -2.11 3.32 -0.60 -3.22 116.42 114.77 1xoi h ASP 76 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1xoi h ASP 76 Cb 0.63 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1xoi h ASP 76 CO 0.02 0.09 -0.27 0.11 -1.72 0.00 0.00 179.24 177.47 1xoi h LYS 77 N -0.24 0.00 -6.45 3.56 1.79 -1.01 -3.49 116.57 110.73 1xoi h LYS 77 Ca -0.01 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.97 1xoi h LYS 77 Cb 0.21 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1xoi h LYS 77 CO 0.02 0.00 -0.88 0.00 -1.08 0.00 0.00 179.45 177.50 1xoi s PRO 79 N -6.49 2.51 0.22 0.00 0.04 -1.25 -4.93 135.00 125.09 1xoi s PRO 79 Ca 0.00 0.92 -0.31 0.00 0.04 0.00 0.00 61.00 61.65 1xoi s PRO 79 Cb -0.00 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 1xoi s PRO 79 CO 0.88 -1.39 1.55 0.21 0.04 0.00 0.00 177.00 178.28 1xoi s LYS 80 N -5.03 4.21 0.12 4.56 2.20 -1.26 -4.98 119.74 119.56 1xoi s LYS 80 Ca 0.60 2.40 -0.03 0.00 -0.36 0.00 0.00 55.97 58.58 1xoi s LYS 80 Cb -0.15 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 1xoi s LYS 80 CO 0.55 -0.56 0.33 1.03 -0.36 0.00 0.00 175.35 176.34 1xoi s ARG 81 N 0.37 3.56 -0.14 4.03 0.52 -0.41 -4.60 118.95 122.28 1xoi s ARG 81 Ca 0.66 -0.20 -0.01 0.00 -0.52 0.00 0.00 55.73 55.66 1xoi s ARG 81 Cb -0.44 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 1xoi s ARG 81 CO 0.38 0.50 -0.12 0.08 0.02 0.00 0.00 175.30 176.16 1xoi s VAL 82 N -1.63 3.06 -0.29 3.52 1.01 -0.42 -1.56 120.40 124.09 1xoi s VAL 82 Ca 0.39 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1xoi s VAL 82 Cb -0.12 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1xoi s VAL 82 CO 0.26 0.51 -0.02 -0.31 0.00 0.00 0.00 175.10 175.54 1xoi s TYR 83 N 0.52 3.28 -0.58 5.22 2.02 0.10 -0.07 117.35 127.84 1xoi s TYR 83 Ca -0.08 -2.01 -0.20 0.00 -0.37 0.00 0.00 57.07 54.40 1xoi s TYR 83 Cb -0.16 -2.10 0.08 0.00 -0.40 0.00 0.00 41.96 39.38 1xoi s TYR 83 CO 0.04 -0.83 0.78 -0.47 -1.57 0.00 0.00 175.55 173.50 1xoi s TYR 84 N 1.21 2.90 -0.34 2.71 5.04 0.59 -0.80 117.35 128.66 1xoi s TYR 84 Ca -0.06 -0.63 -0.19 0.00 -2.44 0.00 0.00 57.07 53.75 1xoi s TYR 84 Cb -0.20 -3.97 -0.00 0.00 0.35 0.00 0.00 41.96 38.14 1xoi s TYR 84 CO -0.02 -1.33 0.55 -1.17 -1.34 0.00 0.00 175.55 172.24 1xoi s LEU 85 N 3.18 4.28 0.01 6.97 2.96 -0.82 -1.17 118.68 134.09 1xoi s LEU 85 Ca 0.17 0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 54.10 1xoi s LEU 85 Cb -0.20 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.85 1xoi s LEU 85 CO 0.10 -0.49 0.14 -0.55 -1.32 0.00 0.00 176.35 174.24 1xoi s SER 86 N 1.74 0.03 0.00 3.68 0.15 -0.48 -2.21 113.70 116.62 1xoi s SER 86 Ca 0.21 -0.23 0.29 0.00 0.70 0.00 0.00 55.95 56.91 1xoi s SER 86 Cb -0.15 0.21 1.26 0.00 -1.71 0.00 0.00 66.02 65.63 1xoi s SER 86 CO 0.13 -0.39 1.88 0.18 1.20 0.00 0.00 173.24 176.24 1xoi n LEU 87 N 1.36 0.41 -3.87 3.45 7.99 -1.26 -4.01 117.00 121.07 1xoi n LEU 87 Ca -0.22 0.04 -0.12 0.00 -0.01 0.00 0.00 56.01 55.70 1xoi n LEU 87 Cb 0.56 -0.19 -0.13 0.00 -0.11 0.00 0.00 43.42 43.54 1xoi n LEU 87 CO 0.21 0.08 -0.31 -1.61 -1.51 0.00 0.00 177.39 174.25 1xoi s GLU 88 N -2.48 0.09 -0.30 3.23 2.02 -1.26 -4.59 118.70 115.41 1xoi s GLU 88 Ca 0.29 -0.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.24 1xoi s GLU 88 Cb 0.20 0.04 0.12 0.00 0.10 0.00 0.00 34.13 34.59 1xoi s GLU 88 CO 0.47 -0.01 0.23 -0.06 0.02 0.00 0.00 175.26 175.90 1xoi s PHE 89 N -0.18 0.00 -1.30 1.61 0.40 0.20 -4.66 117.98 114.06 1xoi s PHE 89 Ca -0.02 -0.68 -0.13 0.00 -0.60 0.00 0.00 56.93 55.50 1xoi s PHE 89 Cb -0.02 -0.69 0.13 0.00 0.51 0.00 0.00 43.02 42.96 1xoi s PHE 89 CO 0.00 -0.88 1.79 0.98 0.70 0.00 0.00 175.22 177.81 1xoi n TYR 90 N 5.05 3.93 0.15 0.36 4.19 -0.85 -3.35 117.16 126.65 1xoi n TYR 90 Ca -0.01 -3.00 0.03 0.00 3.31 0.00 0.00 57.90 58.23 1xoi n TYR 90 Cb 0.43 -2.24 0.12 0.00 0.49 0.00 0.00 39.34 38.14 1xoi n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 1xoi h MET 91 N 6.49 0.00 0.00 2.98 2.86 -1.78 -3.41 114.93 122.06 1xoi h MET 91 Ca 0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1xoi h MET 91 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1xoi h MET 91 CO 1.54 0.48 0.00 0.41 1.06 0.00 0.00 176.91 180.39 1xoi n GLY 92 N 0.93 0.16 3.86 8.32 0.00 -1.16 -4.77 105.19 112.53 1xoi n GLY 92 Ca 0.01 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1xoi n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xoi s ARG 93 N 0.00 3.78 -0.11 1.61 0.52 -1.26 -1.81 118.95 121.68 1xoi s ARG 93 Ca 0.00 0.71 0.08 0.00 -0.52 0.00 0.00 55.73 56.00 1xoi s ARG 93 Cb 0.00 -2.21 -0.13 0.00 0.52 0.00 0.00 34.95 33.13 1xoi s ARG 93 CO 0.00 -0.27 0.01 2.41 0.02 0.00 0.00 175.30 177.47 1xoi n THR 94 N -1.85 0.75 -0.03 0.02 -1.04 -1.26 -4.67 114.28 106.20 1xoi n THR 94 Ca 0.05 -0.43 -0.04 0.00 -2.04 0.00 0.00 64.05 61.58 1xoi n THR 94 Cb 0.54 -0.76 -0.03 0.00 -1.82 0.00 0.00 70.33 68.27 1xoi n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xoi h LEU 95 N 0.00 -0.54 -0.78 -4.42 6.46 -1.97 -0.33 115.31 113.73 1xoi h LEU 95 Ca -0.29 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1xoi h LEU 95 Cb 1.63 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 41.74 1xoi h LEU 95 CO 0.01 -0.12 0.50 -0.61 -0.62 0.00 0.00 178.44 177.60 1xoi h GLN 96 N -0.13 0.96 -0.51 1.25 4.15 -1.97 -1.94 115.11 116.93 1xoi h GLN 96 Ca 0.02 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1xoi h GLN 96 Cb 0.18 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1xoi h GLN 96 CO -0.17 0.64 0.26 -0.97 -1.93 0.00 0.00 178.83 176.66 1xoi h ASN 97 N 0.99 0.63 -0.02 -0.69 -0.73 -1.77 -1.37 115.58 112.61 1xoi h ASN 97 Ca 0.30 -0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.41 1xoi h ASN 97 Cb -0.03 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.40 1xoi h ASN 97 CO -0.10 0.53 -0.03 0.74 -0.37 0.00 0.00 177.43 178.20 1xoi h THR 98 N 0.71 1.40 -0.58 -3.57 2.02 -0.53 -2.29 112.91 110.06 1xoi h THR 98 Ca 0.18 -1.22 0.08 0.00 0.77 0.00 0.00 66.41 66.22 1xoi h THR 98 Cb 0.05 2.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 1xoi h THR 98 CO -0.03 0.32 0.24 0.24 0.37 0.00 0.00 175.52 176.67 1xoi h MET 99 N -0.42 0.44 0.16 6.66 2.86 -1.12 -0.02 114.93 123.48 1xoi h MET 99 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1xoi h MET 99 Cb 0.54 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1xoi h MET 99 CO 0.01 0.29 -0.07 0.82 1.06 0.00 0.00 176.91 179.01 1xoi h ILE 100 N 0.45 0.90 0.00 -1.22 2.04 -1.27 0.96 117.51 119.37 1xoi h ILE 100 Ca 0.28 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1xoi h ILE 100 Cb 0.30 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1xoi h ILE 100 CO -0.26 0.05 0.00 0.78 0.00 0.00 0.00 178.15 178.72 1xoi h ASN 101 N -0.31 0.00 0.01 1.72 4.21 -1.11 -1.17 115.58 118.93 1xoi h ASN 101 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1xoi h ASN 101 Cb 0.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1xoi h ASN 101 CO 0.04 0.00 -0.41 0.18 -1.29 0.00 0.00 177.43 175.95 1xoi n LEU 102 N -2.78 2.00 -1.32 1.61 4.32 -0.05 -1.16 117.00 119.63 1xoi n LEU 102 Ca -0.00 -0.72 -0.12 0.00 -0.02 0.00 0.00 56.01 55.15 1xoi n LEU 102 Cb 0.20 -0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 41.98 1xoi n LEU 102 CO 0.22 0.37 -0.15 0.61 -1.22 0.00 0.00 177.39 177.22 1xoi n GLY 103 N 1.40 -0.01 0.01 -0.72 0.00 0.12 -4.94 105.19 101.05 1xoi n GLY 103 Ca 0.10 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1xoi n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xoi n LEU 104 N -1.67 0.24 -0.26 0.99 4.32 0.31 -4.77 117.00 116.15 1xoi n LEU 104 Ca -0.14 -0.13 -0.10 0.00 -0.02 0.00 0.00 56.01 55.62 1xoi n LEU 104 Cb 0.59 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.32 1xoi n LEU 104 CO 0.16 0.06 0.52 -0.61 -1.22 0.00 0.00 177.39 176.31 1xoi h GLN 105 N 0.00 -0.19 -0.61 3.23 4.15 -1.86 0.07 115.11 119.91 1xoi h GLN 105 Ca 0.00 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1xoi h GLN 105 Cb 0.76 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.47 1xoi h GLN 105 CO 0.00 -0.12 0.19 -0.91 -1.93 0.00 0.00 178.83 176.06 1xoi h ASN 106 N -0.19 0.84 -0.34 -0.69 2.35 -1.93 0.24 115.58 115.86 1xoi h ASN 106 Ca 0.16 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1xoi h ASN 106 Cb 0.53 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1xoi h ASN 106 CO -0.76 0.79 -0.17 0.00 -1.65 0.00 0.00 177.43 175.64 1xoi h ALA 107 N 1.33 0.48 -0.48 -0.83 0.00 -1.75 -1.21 119.26 116.80 1xoi h ALA 107 Ca 0.20 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1xoi h ALA 107 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xoi h ALA 107 CO -0.01 0.40 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 1xoi h ASP 109 N 0.76 -0.25 -0.29 0.00 3.32 -0.27 -0.43 116.42 119.26 1xoi h ASP 109 Ca 0.14 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1xoi h ASP 109 Cb 0.52 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1xoi h ASP 109 CO 0.03 -0.09 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.36 1xoi h GLU 110 N -0.00 0.53 0.34 3.56 4.57 -0.86 -2.18 114.58 120.53 1xoi h GLU 110 Ca 0.13 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1xoi h GLU 110 Cb 0.20 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1xoi h GLU 110 CO -0.27 0.69 -0.29 0.00 -1.18 0.00 0.00 179.01 177.96 1xoi h ALA 111 N 0.82 -0.64 -0.89 2.92 0.00 -0.66 -0.26 119.26 120.56 1xoi h ALA 111 Ca 0.08 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1xoi h ALA 111 Cb 0.46 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1xoi h ALA 111 CO 0.02 -0.88 0.58 0.82 0.00 0.00 0.00 179.25 179.78 1xoi h ILE 112 N -0.64 1.06 -0.13 0.00 1.08 -1.12 -0.85 117.51 116.91 1xoi h ILE 112 Ca -0.02 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1xoi h ILE 112 Cb 0.56 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 1xoi h ILE 112 CO -0.03 0.18 0.06 0.22 -0.69 0.00 0.00 178.15 177.89 1xoi h TYR 113 N 1.00 0.20 0.00 1.37 3.20 -1.02 -1.12 116.97 120.60 1xoi h TYR 113 Ca 0.38 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 1xoi h TYR 113 Cb 0.21 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1xoi h TYR 113 CO -0.00 0.27 -0.07 1.96 -1.64 0.00 0.00 178.16 178.68 1xoi h GLN 114 N 0.07 0.00 -0.01 1.82 4.20 -0.24 0.37 115.11 121.32 1xoi h GLN 114 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1xoi h GLN 114 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1xoi h GLN 114 CO -0.00 0.07 0.00 1.28 -0.67 0.00 0.00 178.83 179.50 1xoi n LEU 115 N -3.44 0.47 0.00 1.46 4.77 -0.40 -4.89 117.00 114.97 1xoi n LEU 115 Ca -0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1xoi n LEU 115 Cb 0.21 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1xoi n LEU 115 CO 0.27 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1xoi n GLY 116 N 1.04 0.46 3.54 -0.72 0.00 0.12 -5.06 105.19 104.57 1xoi n GLY 116 Ca 0.22 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1xoi n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xoi s LEU 117 N 0.00 2.69 -0.33 0.99 1.43 -0.47 -5.03 118.68 117.97 1xoi s LEU 117 Ca 0.00 -1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 51.76 1xoi s LEU 117 Cb 0.00 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.41 1xoi s LEU 117 CO 0.00 -0.35 0.09 -0.62 0.23 0.00 0.00 176.35 175.70 1xoi s ASP 118 N -3.61 5.24 0.50 2.29 3.68 -1.26 -3.75 116.67 119.76 1xoi s ASP 118 Ca 0.33 -1.07 0.15 0.00 2.13 0.00 0.00 52.55 54.09 1xoi s ASP 118 Cb 0.06 -1.86 1.20 0.00 -1.45 0.00 0.00 42.92 40.87 1xoi s ASP 118 CO 0.16 -0.30 2.13 -0.29 0.13 0.00 0.00 175.17 177.00 1xoi h ILE 119 N 6.14 1.01 -0.30 4.11 2.10 -1.90 -1.77 117.51 126.90 1xoi h ILE 119 Ca -0.25 -0.03 -0.10 0.00 1.08 0.00 0.00 64.86 65.56 1xoi h ILE 119 Cb 1.09 0.90 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 1xoi h ILE 119 CO 0.60 0.02 -0.23 -0.08 -1.08 0.00 0.00 178.15 177.37 1xoi h GLU 120 N 0.10 0.58 0.00 2.19 4.81 -1.99 -0.87 114.58 119.40 1xoi h GLU 120 Ca 0.04 -0.22 -0.21 0.00 -0.13 0.00 0.00 59.36 58.84 1xoi h GLU 120 Cb 0.03 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xoi h GLU 120 CO -0.01 0.77 -0.90 0.93 -0.73 0.00 0.00 179.01 179.07 1xoi h GLU 121 N 0.51 0.27 -0.56 1.92 5.08 -1.77 -2.98 114.58 117.04 1xoi h GLU 121 Ca 0.07 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1xoi h GLU 121 Cb 0.68 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1xoi h GLU 121 CO 0.05 1.00 0.11 -0.07 -1.00 0.00 0.00 179.01 179.11 1xoi h LEU 122 N 0.15 0.87 -1.70 1.33 3.38 -1.16 -2.87 115.31 115.31 1xoi h LEU 122 Ca -0.06 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1xoi h LEU 122 Cb 1.53 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1xoi h LEU 122 CO 0.14 0.90 0.21 -0.33 0.09 0.00 0.00 178.44 179.45 1xoi h GLU 123 N 0.81 0.40 0.00 1.13 5.08 -1.11 -2.16 114.58 118.73 1xoi h GLU 123 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xoi h GLU 123 Cb 0.38 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xoi h GLU 123 CO 0.01 0.27 0.00 0.39 -1.00 0.00 0.00 179.01 178.67 1xoi n GLU 124 N -4.49 0.03 0.06 2.33 -0.58 -1.08 -2.69 120.64 114.22 1xoi n GLU 124 Ca 0.02 0.22 -0.10 0.00 -0.42 0.00 0.00 57.16 56.88 1xoi n GLU 124 Cb 0.07 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.46 1xoi n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xoi h ILE 125 N 0.00 1.39 -2.68 -3.67 1.08 -1.45 -3.46 117.51 108.72 1xoi h ILE 125 Ca 0.00 -2.20 -0.52 0.00 -0.39 0.00 0.00 64.86 61.75 1xoi h ILE 125 Cb 0.25 2.16 0.05 0.00 -3.07 0.00 0.00 36.82 36.22 1xoi h ILE 125 CO 0.00 0.66 1.00 -0.70 -0.69 0.00 0.00 178.15 178.42 1xoi s GLU 126 N -3.56 4.14 0.33 2.37 2.12 -1.09 -4.98 118.70 118.03 1xoi s GLU 126 Ca -0.05 2.56 -0.27 0.00 0.36 0.00 0.00 54.97 57.57 1xoi s GLU 126 Cb 0.10 -3.13 -0.09 0.00 0.26 0.00 0.00 34.13 31.27 1xoi s GLU 126 CO 0.84 -0.73 1.02 -1.21 -0.54 0.00 0.00 175.26 174.63 1xoi s GLU 127 N 1.31 4.49 0.47 4.30 0.41 -1.26 -4.97 118.70 123.44 1xoi s GLU 127 Ca 0.74 1.52 -0.22 0.00 -0.41 0.00 0.00 54.97 56.61 1xoi s GLU 127 Cb -0.48 -2.86 -0.08 0.00 -1.78 0.00 0.00 34.13 28.93 1xoi s GLU 127 CO 0.32 0.15 1.12 -0.51 -0.49 0.00 0.00 175.26 175.85 1xoi s ASP 128 N -1.37 6.23 -1.19 -0.19 -0.00 -1.26 -4.65 116.67 114.23 1xoi s ASP 128 Ca 0.50 2.18 -0.11 0.00 -0.00 0.00 0.00 52.55 55.12 1xoi s ASP 128 Cb -0.24 -2.59 0.21 0.00 -0.00 0.00 0.00 42.92 40.30 1xoi s ASP 128 CO 0.30 -0.87 1.41 0.00 -0.00 0.00 0.00 175.17 176.01 1xoi n ALA 129 N -0.62 4.29 -1.27 5.23 0.00 -0.75 -4.87 120.51 122.52 1xoi n ALA 129 Ca 0.08 -4.42 -0.25 0.00 0.00 0.00 0.00 53.44 48.85 1xoi n ALA 129 Cb 0.49 -2.82 -0.09 0.00 0.00 0.00 0.00 19.45 17.03 1xoi n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xoi n GLY 130 N 3.29 3.81 2.00 0.00 0.00 -1.26 -2.46 105.19 110.57 1xoi n GLY 130 Ca 0.33 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 1xoi n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xoi n LEU 131 N 2.53 6.13 -3.55 0.99 4.77 -1.21 -0.63 117.00 126.02 1xoi n LEU 131 Ca 0.57 -3.34 -0.10 0.00 -0.03 0.00 0.00 56.01 53.11 1xoi n LEU 131 Cb 0.58 -1.16 -0.02 0.00 -2.33 0.00 0.00 43.42 40.49 1xoi n LEU 131 CO 0.44 1.39 0.43 -0.83 -1.33 0.00 0.00 177.39 177.49 1xoi s GLY 132 N 0.76 -0.46 -0.17 -0.72 0.00 -1.26 -0.62 107.32 104.85 1xoi s GLY 132 Ca 0.38 0.27 -0.06 0.00 0.00 0.00 0.00 44.72 45.31 1xoi s GLY 132 CO -0.06 0.09 0.17 0.70 0.00 0.00 0.00 173.10 174.00 1xoi n ASN 133 N -0.40 2.07 0.00 1.64 3.02 -1.26 -4.41 115.26 115.91 1xoi n ASN 133 Ca -0.13 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1xoi n ASN 133 Cb 0.63 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1xoi n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xoi n GLY 134 N 2.00 0.70 0.23 7.41 0.00 -1.26 -4.91 105.19 109.36 1xoi n GLY 134 Ca -0.36 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1xoi n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xoi h GLY 135 N 0.00 0.81 0.86 -0.02 0.00 -1.98 0.06 103.07 102.79 1xoi h GLY 135 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1xoi h GLY 135 CO 0.00 -0.07 -0.00 -2.00 0.00 0.00 0.00 176.54 174.46 1xoi h LEU 136 N 0.32 -0.04 -0.58 3.11 5.85 -1.99 -0.40 115.31 121.58 1xoi h LEU 136 Ca 0.31 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.92 1xoi h LEU 136 Cb 0.43 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1xoi h LEU 136 CO -0.36 -0.01 -0.28 1.23 -0.34 0.00 0.00 178.44 178.68 1xoi h GLY 137 N 0.03 0.90 1.96 3.75 0.00 -1.75 -2.98 103.07 104.96 1xoi h GLY 137 Ca 0.04 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.46 1xoi h GLY 137 CO -0.08 0.75 -0.39 -0.09 0.00 0.00 0.00 176.54 176.73 1xoi h ARG 138 N 0.70 0.05 -0.66 4.80 9.65 -0.79 -2.16 114.38 125.97 1xoi h ARG 138 Ca 0.08 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.86 1xoi h ARG 138 Cb 0.83 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 1xoi h ARG 138 CO 0.07 0.44 0.09 1.25 2.80 0.00 0.00 179.97 184.62 1xoi h LEU 139 N 0.04 1.07 -0.71 3.80 5.85 -0.92 -0.46 115.31 123.98 1xoi h LEU 139 Ca 0.00 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1xoi h LEU 139 Cb 0.72 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1xoi h LEU 139 CO 0.05 1.07 0.35 0.00 -0.34 0.00 0.00 178.44 179.58 1xoi h ALA 140 N 1.04 0.92 -0.21 1.25 0.00 -1.38 -0.01 119.26 120.87 1xoi h ALA 140 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xoi h ALA 140 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xoi h ALA 140 CO 0.02 0.47 0.08 0.00 0.00 0.00 0.00 179.25 179.82 1xoi h ALA 141 N 1.17 0.27 -0.64 0.00 0.00 -1.06 -1.58 119.26 117.42 1xoi h ALA 141 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xoi h ALA 141 Cb 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1xoi h ALA 141 CO -0.03 -0.13 0.20 0.00 0.00 0.00 0.00 179.25 179.29 1xoi h PHE 143 N 0.95 0.73 -0.58 0.00 -1.00 -0.77 -1.27 116.94 115.00 1xoi h PHE 143 Ca 0.21 -0.03 0.05 0.00 2.81 0.00 0.00 57.97 61.01 1xoi h PHE 143 Cb 0.27 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.55 1xoi h PHE 143 CO 0.02 0.57 0.32 -0.07 -1.61 0.00 0.00 178.31 177.53 1xoi h LEU 144 N 0.68 0.47 -0.38 1.54 3.38 -1.05 0.13 115.31 120.08 1xoi h LEU 144 Ca 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1xoi h LEU 144 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xoi h LEU 144 CO -0.02 0.31 0.20 -0.78 0.09 0.00 0.00 178.44 178.24 1xoi h ASP 145 N 0.60 0.48 -0.41 -0.43 3.58 -1.22 -1.54 116.42 117.48 1xoi h ASP 145 Ca 0.26 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 1xoi h ASP 145 Cb 0.14 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1xoi h ASP 145 CO -0.16 0.45 0.13 0.28 -2.88 0.00 0.00 179.24 177.06 1xoi h SER 146 N 0.48 0.59 -0.38 2.28 0.02 -0.67 -0.81 113.55 115.06 1xoi h SER 146 Ca 0.13 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1xoi h SER 146 Cb 0.08 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1xoi h SER 146 CO -0.02 0.63 0.12 0.24 -1.14 0.00 0.00 176.83 176.66 1xoi h MET 147 N 0.52 0.66 -0.27 3.45 2.86 -0.65 0.22 114.93 121.71 1xoi h MET 147 Ca 0.13 -0.11 -0.18 0.00 -2.06 0.00 0.00 59.70 57.48 1xoi h MET 147 Cb 0.25 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1xoi h MET 147 CO -0.01 0.59 -0.55 0.00 1.06 0.00 0.00 176.91 178.00 1xoi h ALA 148 N 1.50 0.50 -0.14 6.32 0.00 -1.04 -0.05 119.26 126.34 1xoi h ALA 148 Ca 0.15 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1xoi h ALA 148 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xoi h ALA 148 CO -0.01 0.68 -0.35 1.15 0.00 0.00 0.00 179.25 180.73 1xoi h THR 149 N 0.63 1.28 -0.07 0.00 2.02 -0.46 -1.85 112.91 114.47 1xoi h THR 149 Ca 0.01 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1xoi h THR 149 Cb 1.15 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1xoi h THR 149 CO 0.12 0.42 0.00 0.18 0.37 0.00 0.00 175.52 176.61 1xoi n LEU 150 N -4.08 0.76 -2.08 2.58 4.32 0.72 -4.74 117.00 114.48 1xoi n LEU 150 Ca -0.01 -0.31 -0.17 0.00 -0.02 0.00 0.00 56.01 55.50 1xoi n LEU 150 Cb 0.44 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 1xoi n LEU 150 CO 0.41 0.15 -0.16 0.61 -1.22 0.00 0.00 177.39 177.18 1xoi n GLY 151 N 0.97 -0.32 3.83 -0.72 0.00 -0.69 -0.48 105.19 107.77 1xoi n GLY 151 Ca 0.16 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1xoi n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xoi s LEU 152 N -5.05 4.20 -1.41 0.99 1.43 -0.07 -4.03 118.68 114.75 1xoi s LEU 152 Ca 0.06 1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 1xoi s LEU 152 Cb -0.03 -3.84 0.05 0.00 0.03 0.00 0.00 46.19 42.41 1xoi s LEU 152 CO 0.08 -0.09 2.09 0.00 0.23 0.00 0.00 176.35 178.66 1xoi n ALA 153 N 0.17 5.04 -2.71 4.21 0.00 -1.26 -4.68 120.51 121.27 1xoi n ALA 153 Ca 0.01 -3.90 -0.31 0.00 0.00 0.00 0.00 53.44 49.24 1xoi n ALA 153 Cb 0.52 -3.53 -0.08 0.00 0.00 0.00 0.00 19.45 16.37 1xoi n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xoi s ALA 154 N 3.31 3.38 -0.02 0.00 0.00 -1.26 -1.29 121.76 125.87 1xoi s ALA 154 Ca 0.48 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1xoi s ALA 154 Cb 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1xoi s ALA 154 CO -0.04 0.71 -0.07 0.71 0.00 0.00 0.00 175.76 177.06 1xoi s TYR 155 N -1.29 0.74 -0.19 0.00 2.02 0.90 -3.98 117.35 115.56 1xoi s TYR 155 Ca 0.25 -0.17 -0.09 0.00 -0.37 0.00 0.00 57.07 56.70 1xoi s TYR 155 Cb -0.12 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 1xoi s TYR 155 CO 0.18 -0.08 0.10 0.20 -1.57 0.00 0.00 175.55 174.38 1xoi s GLY 156 N 0.18 1.97 -0.17 0.71 0.00 -0.62 -0.30 107.32 109.10 1xoi s GLY 156 Ca -0.02 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1xoi s GLY 156 CO 0.00 0.09 -0.17 -0.19 0.00 0.00 0.00 173.10 172.84 1xoi s TYR 157 N 0.35 2.49 0.00 1.90 1.51 -0.32 0.12 117.35 123.41 1xoi s TYR 157 Ca 0.06 -1.47 0.00 0.00 -1.01 0.00 0.00 57.07 54.65 1xoi s TYR 157 Cb -0.12 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 1xoi s TYR 157 CO -0.01 -0.74 0.00 0.41 -1.11 0.00 0.00 175.55 174.10 1xoi n GLY 158 N 4.69 3.76 3.60 0.71 0.00 -0.88 -1.38 105.19 115.69 1xoi n GLY 158 Ca -0.19 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1xoi n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xoi s ILE 159 N -2.15 4.05 -1.13 -0.61 1.01 -1.26 -1.32 121.20 119.79 1xoi s ILE 159 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 1xoi s ILE 159 Cb 0.00 -2.72 0.15 0.00 0.01 0.00 0.00 42.46 39.90 1xoi s ILE 159 CO 0.00 0.56 1.38 -0.60 0.00 0.00 0.00 174.94 176.28 1xoi s ARG 160 N -0.40 3.94 0.18 2.79 3.52 0.34 -4.73 118.95 124.58 1xoi s ARG 160 Ca 0.07 -2.27 -0.31 0.00 -0.13 0.00 0.00 55.73 53.09 1xoi s ARG 160 Cb -0.12 -5.07 -0.09 0.00 -1.56 0.00 0.00 34.95 28.11 1xoi s ARG 160 CO 0.02 -1.82 1.44 0.71 -0.81 0.00 0.00 175.30 174.85 1xoi s TYR 161 N 2.18 3.12 0.38 5.12 2.02 -1.26 -4.66 117.35 124.26 1xoi s TYR 161 Ca 0.41 0.92 0.13 0.00 -0.37 0.00 0.00 57.07 58.16 1xoi s TYR 161 Cb -0.03 -3.78 0.77 0.00 -0.40 0.00 0.00 41.96 38.52 1xoi s TYR 161 CO -0.02 -2.69 1.85 1.49 -1.57 0.00 0.00 175.55 174.61 1xoi h GLU 162 N 6.04 0.00 -4.25 -0.62 4.81 -0.80 -3.40 114.58 116.35 1xoi h GLU 162 Ca -0.44 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.28 1xoi h GLU 162 Cb 1.21 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 30.23 1xoi h GLU 162 CO 0.84 0.34 -0.80 0.71 -0.73 0.00 0.00 179.01 179.37 1xoi s TYR 163 N -4.25 1.37 0.00 0.92 1.51 0.07 -4.35 117.35 112.62 1xoi s TYR 163 Ca -0.03 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1xoi s TYR 163 Cb 0.15 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.87 1xoi s TYR 163 CO 0.72 -0.42 0.00 0.41 -1.11 0.00 0.00 175.55 175.15 1xoi n GLY 164 N 4.62 0.77 3.69 0.71 0.00 -1.23 -2.09 105.19 111.68 1xoi n GLY 164 Ca -0.15 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1xoi n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xoi n ILE 165 N 0.00 0.23 -1.45 -0.61 0.13 0.20 -4.54 119.36 113.32 1xoi n ILE 165 Ca 0.00 -0.04 -0.38 0.00 -1.10 0.00 0.00 62.75 61.23 1xoi n ILE 165 Cb 0.00 -1.98 0.04 0.00 -0.84 0.00 0.00 39.64 36.87 1xoi n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 1xoi n PHE 166 N 4.92 -0.61 -2.78 9.51 -1.74 -1.26 -4.67 117.46 120.84 1xoi n PHE 166 Ca 0.18 0.43 -0.41 0.00 -0.56 0.00 0.00 57.45 57.08 1xoi n PHE 166 Cb 0.35 -1.96 -0.04 0.00 1.52 0.00 0.00 39.48 39.35 1xoi n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1xoi s ASN 167 N -1.22 7.39 -0.20 5.98 0.02 -0.02 -4.88 114.94 122.00 1xoi s ASN 167 Ca 0.69 1.66 -0.11 0.00 -1.02 0.00 0.00 52.86 54.09 1xoi s ASN 167 Cb -0.43 -2.56 -0.05 0.00 0.02 0.00 0.00 41.25 38.24 1xoi s ASN 167 CO 0.54 -0.12 0.16 -1.58 0.02 0.00 0.00 177.10 176.12 1xoi s GLN 168 N 0.38 4.18 0.26 -0.60 0.74 -1.26 -1.35 119.66 122.02 1xoi s GLN 168 Ca 0.47 -0.17 0.11 0.00 0.05 0.00 0.00 55.36 55.82 1xoi s GLN 168 Cb -0.22 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.41 1xoi s GLN 168 CO 0.28 0.25 -0.13 0.15 -0.55 0.00 0.00 175.29 175.29 1xoi s LYS 169 N 0.49 1.90 -0.24 1.67 -0.14 0.43 -3.71 119.74 120.14 1xoi s LYS 169 Ca 0.09 -1.61 0.02 0.00 -1.36 0.00 0.00 55.97 53.12 1xoi s LYS 169 Cb -0.12 -1.93 0.05 0.00 -1.68 0.00 0.00 37.83 34.15 1xoi s LYS 169 CO -0.00 0.35 -0.13 0.42 -0.76 0.00 0.00 175.35 175.23 1xoi s ILE 170 N -2.35 2.13 -0.18 2.17 -1.09 -1.26 0.19 121.20 120.80 1xoi s ILE 170 Ca 0.30 -1.47 -0.00 0.00 -2.23 0.00 0.00 60.65 57.25 1xoi s ILE 170 Cb -0.06 -2.17 0.01 0.00 -1.58 0.00 0.00 42.46 38.66 1xoi s ILE 170 CO 0.16 0.10 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.68 1xoi s ARG 171 N 1.15 3.09 -1.52 2.79 1.81 0.47 -4.60 118.95 122.15 1xoi s ARG 171 Ca -0.06 -0.78 -0.13 0.00 -1.72 0.00 0.00 55.73 53.04 1xoi s ARG 171 Cb -0.18 -2.66 0.08 0.00 -0.45 0.00 0.00 34.95 31.73 1xoi s ARG 171 CO -0.07 -0.18 1.00 -0.25 -0.68 0.00 0.00 175.30 175.12 1xoi n ASP 172 N 4.59 -5.02 0.00 0.23 10.43 -1.26 -1.29 116.55 124.23 1xoi n ASP 172 Ca -0.20 -0.74 0.00 0.00 2.57 0.00 0.00 54.79 56.41 1xoi n ASP 172 Cb 0.50 -4.00 0.00 0.00 1.84 0.00 0.00 41.12 39.46 1xoi n ASP 172 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xoi n GLY 173 N -1.72 2.58 3.92 0.44 0.00 -1.26 -5.02 105.19 104.13 1xoi n GLY 173 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1xoi n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xoi s TRP 174 N -2.65 3.49 0.32 1.61 0.52 -0.41 -3.54 118.94 118.28 1xoi s TRP 174 Ca 0.00 0.20 -0.28 0.00 0.02 0.00 0.00 56.10 56.03 1xoi s TRP 174 Cb 0.00 -1.72 -0.10 0.00 -1.15 0.00 0.00 33.47 30.50 1xoi s TRP 174 CO 0.00 0.56 1.21 -1.14 0.02 0.00 0.00 176.95 177.61 1xoi s GLN 175 N -2.75 4.42 -0.04 4.98 0.74 -1.26 -0.39 119.66 125.36 1xoi s GLN 175 Ca 0.35 2.02 0.02 0.00 0.05 0.00 0.00 55.36 57.79 1xoi s GLN 175 Cb -0.12 -3.06 0.01 0.00 1.10 0.00 0.00 33.01 30.94 1xoi s GLN 175 CO 0.28 -0.06 -0.07 0.08 -0.55 0.00 0.00 175.29 174.96 1xoi s VAL 176 N -1.18 0.70 0.02 1.34 1.01 0.13 -4.83 120.40 117.58 1xoi s VAL 176 Ca 0.48 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1xoi s VAL 176 Cb -0.36 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1xoi s VAL 176 CO 0.47 0.24 0.29 -1.61 0.00 0.00 0.00 175.10 174.49 1xoi s GLU 177 N 0.54 3.62 0.00 2.72 8.01 -1.26 -0.43 118.70 131.90 1xoi s GLU 177 Ca -0.08 -0.02 0.02 0.00 0.01 0.00 0.00 54.97 54.90 1xoi s GLU 177 Cb -0.12 -3.07 -0.01 0.00 -4.31 0.00 0.00 34.13 26.62 1xoi s GLU 177 CO 0.01 0.64 -0.08 -1.21 0.01 0.00 0.00 175.26 174.63 1xoi s GLU 178 N -1.75 0.58 0.17 1.61 2.02 -0.46 -4.96 118.70 115.92 1xoi s GLU 178 Ca 0.28 -0.34 -0.32 0.00 0.02 0.00 0.00 54.97 54.61 1xoi s GLU 178 Cb -0.13 -0.54 -0.11 0.00 0.10 0.00 0.00 34.13 33.44 1xoi s GLU 178 CO 0.16 0.14 1.72 0.00 0.02 0.00 0.00 175.26 177.30 1xoi s ALA 179 N -0.35 3.86 -1.20 5.21 0.00 -1.26 -0.84 121.76 127.18 1xoi s ALA 179 Ca 0.01 1.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 1xoi s ALA 179 Cb -0.04 -3.70 0.10 0.00 0.00 0.00 0.00 23.12 19.49 1xoi s ALA 179 CO -0.00 -0.98 1.55 0.34 0.00 0.00 0.00 175.76 176.68 1xoi s ASP 180 N 1.59 6.85 -0.72 0.00 2.15 -1.26 -4.73 116.67 120.55 1xoi s ASP 180 Ca 0.75 -2.45 -0.07 0.00 0.43 0.00 0.00 52.55 51.21 1xoi s ASP 180 Cb -0.47 -2.51 -0.15 0.00 -0.30 0.00 0.00 42.92 39.49 1xoi s ASP 180 CO 0.33 -1.08 3.23 -0.67 -0.17 0.00 0.00 175.17 176.82 1xoi n ASP 181 N 7.45 6.82 0.32 -0.34 2.03 -1.26 -3.49 116.55 128.09 1xoi n ASP 181 Ca 0.41 -2.62 0.20 0.00 0.52 0.00 0.00 54.79 53.30 1xoi n ASP 181 Cb 0.46 -1.45 1.10 0.00 -0.72 0.00 0.00 41.12 40.51 1xoi n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1xoi h TRP 182 N 3.83 0.00 -0.16 -0.67 5.08 -1.90 -2.29 115.95 119.85 1xoi h TRP 182 Ca 0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.46 1xoi h TRP 182 Cb 0.92 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.08 1xoi h TRP 182 CO 1.79 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.23 1xoi n LEU 183 N -3.20 2.88 -0.29 0.11 4.77 -1.26 -4.62 117.00 115.39 1xoi n LEU 183 Ca -0.03 -1.08 0.11 0.00 -0.03 0.00 0.00 56.01 54.99 1xoi n LEU 183 Cb 0.14 -0.09 0.26 0.00 -2.33 0.00 0.00 43.42 41.40 1xoi n LEU 183 CO 0.20 0.54 0.91 -0.09 -1.33 0.00 0.00 177.39 177.62 1xoi h ARG 184 N 4.18 0.16 -0.45 3.23 2.43 -1.78 -1.63 114.38 120.53 1xoi h ARG 184 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xoi h ARG 184 Cb 0.90 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1xoi h ARG 184 CO 0.00 0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.23 1xoi n TYR 185 N -5.27 0.59 0.00 2.20 0.53 -1.26 -5.06 117.16 108.88 1xoi n TYR 185 Ca 0.20 -0.35 0.00 0.00 -1.02 0.00 0.00 57.90 56.73 1xoi n TYR 185 Cb 0.64 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.95 1xoi n TYR 185 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1xoi n GLY 186 N 1.28 2.27 3.10 2.72 0.00 -0.61 -5.00 105.19 108.94 1xoi n GLY 186 Ca 0.18 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 1xoi n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xoi s ASN 187 N 0.00 4.98 0.56 1.61 2.47 -1.26 -4.95 114.94 118.35 1xoi s ASN 187 Ca 0.00 -1.87 0.36 0.00 0.42 0.00 0.00 52.86 51.78 1xoi s ASN 187 Cb 0.00 -1.73 1.66 0.00 -1.45 0.00 0.00 41.25 39.74 1xoi s ASN 187 CO 0.00 -0.41 2.08 1.55 -3.72 0.00 0.00 177.10 176.59 1xoi h PRO 188 N 7.89 0.00 -0.01 0.43 0.13 -2.00 -2.96 132.00 135.48 1xoi h PRO 188 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1xoi h PRO 188 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xoi h PRO 188 CO 0.59 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.27 1xoi n TRP 189 N -3.00 0.01 -4.35 1.56 7.02 -1.26 -4.83 117.44 112.58 1xoi n TRP 189 Ca -0.00 -0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.17 1xoi n TRP 189 Cb 0.22 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.00 1xoi n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1xoi s GLU 190 N -1.99 2.11 -0.20 -0.99 -1.05 -1.12 -4.18 118.70 111.28 1xoi s GLU 190 Ca 0.43 -1.00 -0.00 0.00 -0.15 0.00 0.00 54.97 54.24 1xoi s GLU 190 Cb 0.21 -2.27 0.05 0.00 -0.44 0.00 0.00 34.13 31.68 1xoi s GLU 190 CO 0.34 0.52 -0.04 0.21 0.95 0.00 0.00 175.26 177.24 1xoi s LYS 191 N -1.95 1.42 0.27 -4.83 2.47 0.12 -4.93 119.74 112.31 1xoi s LYS 191 Ca 0.19 -0.73 -0.30 0.00 -1.56 0.00 0.00 55.97 53.57 1xoi s LYS 191 Cb -0.11 -2.31 -0.11 0.00 -1.46 0.00 0.00 37.83 33.84 1xoi s LYS 191 CO 0.11 -0.54 1.51 0.45 0.16 0.00 0.00 175.35 177.04 1xoi s SER 192 N 1.55 6.52 -0.67 1.43 0.15 -1.26 -0.39 113.70 121.03 1xoi s SER 192 Ca -0.03 2.81 0.06 0.00 0.70 0.00 0.00 55.95 59.48 1xoi s SER 192 Cb -0.17 -2.63 0.23 0.00 -1.71 0.00 0.00 66.02 61.74 1xoi s SER 192 CO -0.07 -0.80 0.71 0.54 1.20 0.00 0.00 173.24 174.81 1xoi n ARG 193 N 2.23 2.42 -0.22 5.44 5.12 -0.46 -4.90 116.66 126.29 1xoi n ARG 193 Ca 0.07 -4.64 -0.01 0.00 -1.93 0.00 0.00 57.85 51.35 1xoi n ARG 193 Cb 0.39 -2.27 0.06 0.00 -1.16 0.00 0.00 32.46 29.48 1xoi n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1xoi h PRO 194 N 4.48 -0.03 0.00 5.56 0.11 -1.93 -1.38 132.00 138.81 1xoi h PRO 194 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1xoi h PRO 194 Cb 0.68 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1xoi h PRO 194 CO 0.82 -0.02 0.02 -0.85 -0.21 0.00 0.00 178.00 177.76 1xoi n GLU 195 N -5.45 0.01 -0.39 1.05 0.00 -1.26 -1.76 120.64 112.84 1xoi n GLU 195 Ca 0.08 0.50 0.08 0.00 0.00 0.00 0.00 57.16 57.81 1xoi n GLU 195 Cb 0.35 -1.55 0.25 0.00 0.00 0.00 0.00 31.44 30.49 1xoi n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1xoi n PHE 196 N -1.55 0.92 -1.55 -1.84 3.72 -0.52 -5.02 117.46 111.62 1xoi n PHE 196 Ca -0.00 -0.64 -0.37 0.00 -0.05 0.00 0.00 57.45 56.40 1xoi n PHE 196 Cb 0.02 -0.17 0.07 0.00 -0.94 0.00 0.00 39.48 38.46 1xoi n PHE 196 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1xoi n MET 197 N 0.46 0.79 -3.87 -1.08 1.56 -0.72 -4.71 117.12 109.55 1xoi n MET 197 Ca 0.19 0.32 -0.10 0.00 -0.27 0.00 0.00 57.70 57.84 1xoi n MET 197 Cb 0.70 -2.28 -0.08 0.00 2.15 0.00 0.00 33.22 33.71 1xoi n MET 197 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1xoi s LEU 198 N -3.02 1.47 0.00 -0.89 1.43 -0.68 -4.97 118.68 112.03 1xoi s LEU 198 Ca 0.77 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1xoi s LEU 198 Cb -0.38 0.89 -0.05 0.00 0.03 0.00 0.00 46.19 46.68 1xoi s LEU 198 CO 0.46 -0.57 0.32 -2.16 0.23 0.00 0.00 176.35 174.63 1xoi s PRO 199 N -2.76 3.69 -0.01 1.29 0.04 -1.26 0.43 135.00 136.42 1xoi s PRO 199 Ca -0.04 0.11 0.07 0.00 0.04 0.00 0.00 61.00 61.18 1xoi s PRO 199 Cb -0.00 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 1xoi s PRO 199 CO -0.05 0.66 -0.22 0.08 0.04 0.00 0.00 177.00 177.51 1xoi s VAL 200 N -1.22 1.76 0.03 -0.36 1.01 0.62 -4.90 120.40 117.34 1xoi s VAL 200 Ca 0.26 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1xoi s VAL 200 Cb -0.14 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1xoi s VAL 200 CO 0.14 0.46 -0.01 -1.00 0.00 0.00 0.00 175.10 174.69 1xoi s HIS 201 N -0.56 3.02 0.04 5.22 3.76 -1.26 -0.82 115.29 124.69 1xoi s HIS 201 Ca 0.09 0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1xoi s HIS 201 Cb -0.09 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 1xoi s HIS 201 CO -0.00 0.46 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.26 1xoi s PHE 202 N -1.16 0.46 0.00 1.40 0.08 -0.64 -4.97 117.98 113.14 1xoi s PHE 202 Ca 0.22 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.32 1xoi s PHE 202 Cb -0.12 -0.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.99 1xoi s PHE 202 CO 0.13 -0.34 0.00 0.66 -0.10 0.00 0.00 175.22 175.57 1xoi n TYR 203 N 0.42 0.00 -4.51 0.36 4.02 0.92 -1.55 117.16 116.81 1xoi n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1xoi n TYR 203 Cb 0.60 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 1xoi n TYR 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xoi n GLY 204 N 0.00 -0.54 3.33 2.72 0.00 -1.25 -4.62 105.19 104.83 1xoi n GLY 204 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1xoi n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xoi s LYS 205 N 0.00 1.37 -0.03 1.61 3.01 0.32 -4.86 119.74 121.15 1xoi s LYS 205 Ca 0.00 -1.55 0.06 0.00 -1.01 0.00 0.00 55.97 53.48 1xoi s LYS 205 Cb 0.00 0.34 -0.01 0.00 -1.01 0.00 0.00 37.83 37.15 1xoi s LYS 205 CO 0.00 -0.50 -0.22 0.08 0.51 0.00 0.00 175.35 175.22 1xoi s VAL 206 N -4.03 1.77 -0.07 3.17 1.01 -1.26 0.22 120.40 121.22 1xoi s VAL 206 Ca 0.34 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1xoi s VAL 206 Cb 0.04 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1xoi s VAL 206 CO 0.12 0.50 -0.17 -1.61 0.00 0.00 0.00 175.10 173.94 1xoi s GLU 207 N -0.36 2.19 -1.12 2.72 2.02 0.35 -4.97 118.70 119.53 1xoi s GLU 207 Ca 0.04 -0.62 -0.07 0.00 0.02 0.00 0.00 54.97 54.34 1xoi s GLU 207 Cb -0.10 -1.75 0.28 0.00 0.10 0.00 0.00 34.13 32.66 1xoi s GLU 207 CO 0.01 0.13 1.32 0.72 0.02 0.00 0.00 175.26 177.46 1xoi n HIS 208 N 3.57 3.95 -1.52 1.61 8.25 -1.26 0.32 115.22 130.14 1xoi n HIS 208 Ca -0.21 -3.30 -0.30 0.00 -0.26 0.00 0.00 57.72 53.66 1xoi n HIS 208 Cb 0.52 -1.57 0.22 0.00 1.12 0.00 0.00 29.99 30.28 1xoi n HIS 208 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1xoi s THR 209 N -1.62 1.78 -1.54 1.59 -4.23 -0.99 -4.92 115.64 105.71 1xoi s THR 209 Ca 0.32 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.91 1xoi s THR 209 Cb -0.03 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.33 1xoi s THR 209 CO 0.00 0.00 1.13 -0.46 -0.54 0.00 0.00 174.62 174.75 1xoi n ASN 210 N -4.31 2.00 -1.27 3.99 0.23 -1.26 -3.10 115.26 111.53 1xoi n ASN 210 Ca 0.15 -2.13 0.02 0.00 -0.53 0.00 0.00 54.58 52.09 1xoi n ASN 210 Cb 0.59 -0.33 0.11 0.00 -2.08 0.00 0.00 39.78 38.07 1xoi n ASN 210 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1xoi n THR 211 N 0.30 1.32 0.00 5.53 -2.24 -1.26 -5.10 114.28 112.84 1xoi n THR 211 Ca 0.10 -2.47 0.00 0.00 -2.27 0.00 0.00 64.05 59.41 1xoi n THR 211 Cb 0.38 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1xoi n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xoi n GLY 212 N -0.42 1.18 3.74 3.38 0.00 -1.18 -4.96 105.19 106.93 1xoi n GLY 212 Ca 0.16 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 1xoi n GLY 212 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xoi s THR 213 N -1.82 4.98 -0.07 2.61 -1.32 -1.26 -2.34 115.64 116.41 1xoi s THR 213 Ca 0.00 1.28 0.02 0.00 -1.21 0.00 0.00 61.69 61.78 1xoi s THR 213 Cb 0.00 -3.96 -0.03 0.00 -1.51 0.00 0.00 72.50 67.01 1xoi s THR 213 CO 0.00 0.35 -0.11 -0.54 -2.21 0.00 0.00 174.62 172.11 1xoi s LYS 214 N 0.23 2.77 -0.37 7.08 -0.14 0.15 -4.84 119.74 124.62 1xoi s LYS 214 Ca 0.33 -0.63 -0.12 0.00 -1.36 0.00 0.00 55.97 54.18 1xoi s LYS 214 Cb -0.18 -2.52 0.02 0.00 -1.68 0.00 0.00 37.83 33.48 1xoi s LYS 214 CO 0.17 0.56 0.23 -0.46 -0.76 0.00 0.00 175.35 175.09 1xoi s TRP 215 N -0.56 3.23 0.49 3.18 -0.00 -1.26 -0.49 118.94 123.53 1xoi s TRP 215 Ca 0.08 -0.77 0.02 0.00 -0.00 0.00 0.00 56.10 55.43 1xoi s TRP 215 Cb -0.12 -2.47 -0.01 0.00 -0.00 0.00 0.00 33.47 30.87 1xoi s TRP 215 CO 0.02 -0.59 0.05 0.96 -0.00 0.00 0.00 176.95 177.39 1xoi s ILE 216 N 1.60 0.89 -1.31 5.86 -4.36 0.13 -4.79 121.20 119.24 1xoi s ILE 216 Ca 0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1xoi s ILE 216 Cb -0.19 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.36 1xoi s ILE 216 CO 0.08 0.00 0.00 0.47 0.24 0.00 0.00 174.94 175.73 1xoi n ASP 217 N -1.33 -4.13 -4.89 4.36 8.00 -1.26 -0.53 116.55 116.77 1xoi n ASP 217 Ca -0.16 0.22 -0.29 0.00 0.71 0.00 0.00 54.79 55.27 1xoi n ASP 217 Cb 0.66 -3.59 0.03 0.00 -0.02 0.00 0.00 41.12 38.20 1xoi n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xoi s THR 218 N -2.53 4.04 -0.10 -3.53 -4.23 -1.26 -3.82 115.64 104.21 1xoi s THR 218 Ca 0.00 0.49 -0.10 0.00 -1.18 0.00 0.00 61.69 60.90 1xoi s THR 218 Cb 0.00 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 1xoi s THR 218 CO 0.00 -0.78 0.22 -1.10 -0.54 0.00 0.00 174.62 172.42 1xoi s GLN 219 N -5.17 3.71 -0.06 3.99 -0.21 -0.60 -4.91 119.66 116.42 1xoi s GLN 219 Ca 0.55 0.03 -0.00 0.00 0.02 0.00 0.00 55.36 55.96 1xoi s GLN 219 Cb -0.11 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 1xoi s GLN 219 CO 0.51 0.66 -0.02 0.08 -2.12 0.00 0.00 175.29 174.40 1xoi s VAL 220 N -0.78 4.11 -0.06 1.09 1.01 -1.26 -1.63 120.40 122.88 1xoi s VAL 220 Ca 0.17 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1xoi s VAL 220 Cb -0.13 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1xoi s VAL 220 CO 0.06 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 1xoi s VAL 221 N -0.93 0.99 0.30 2.92 1.01 -0.00 -4.37 120.40 120.32 1xoi s VAL 221 Ca 0.15 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 1xoi s VAL 221 Cb -0.11 -0.93 -0.10 0.00 0.00 0.00 0.00 36.38 35.24 1xoi s VAL 221 CO 0.04 0.33 0.93 -0.76 0.00 0.00 0.00 175.10 175.64 1xoi s LEU 222 N 0.81 4.40 -0.30 3.92 1.43 0.10 -0.28 118.68 128.77 1xoi s LEU 222 Ca -0.12 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1xoi s LEU 222 Cb -0.15 -3.91 0.05 0.00 0.03 0.00 0.00 46.19 42.21 1xoi s LEU 222 CO 0.02 -0.02 -0.01 0.00 0.23 0.00 0.00 176.35 176.57 1xoi s ALA 223 N -1.53 2.79 -0.34 4.21 0.00 0.17 -0.73 121.76 126.33 1xoi s ALA 223 Ca 0.48 -1.78 -0.14 0.00 0.00 0.00 0.00 51.96 50.52 1xoi s ALA 223 Cb -0.20 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 1xoi s ALA 223 CO 0.25 -1.27 0.30 -1.17 0.00 0.00 0.00 175.76 173.86 1xoi s LEU 224 N 1.23 4.50 0.32 0.00 2.96 0.00 -1.68 118.68 126.00 1xoi s LEU 224 Ca -0.05 -0.34 -0.25 0.00 -0.22 0.00 0.00 54.13 53.26 1xoi s LEU 224 Cb -0.20 -2.23 -0.10 0.00 0.50 0.00 0.00 46.19 44.16 1xoi s LEU 224 CO -0.02 -0.29 0.92 -2.16 -1.32 0.00 0.00 176.35 173.49 1xoi s PRO 225 N 1.86 4.54 -0.11 0.98 0.04 -1.26 -1.48 135.00 139.57 1xoi s PRO 225 Ca 0.09 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1xoi s PRO 225 Cb -0.17 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.61 1xoi s PRO 225 CO 0.11 0.28 -0.09 0.71 0.04 0.00 0.00 177.00 178.05 1xoi s TYR 226 N -1.63 1.52 -0.13 0.56 2.02 0.53 -1.35 117.35 118.87 1xoi s TYR 226 Ca 0.50 -0.73 -0.12 0.00 -0.37 0.00 0.00 57.07 56.34 1xoi s TYR 226 Cb -0.18 -1.22 -0.05 0.00 -0.40 0.00 0.00 41.96 40.11 1xoi s TYR 226 CO 0.23 -0.48 0.27 -0.51 -1.57 0.00 0.00 175.55 173.49 1xoi s ASP 227 N 1.48 6.46 -0.11 2.29 -0.00 0.47 -0.77 116.67 126.50 1xoi s ASP 227 Ca 0.01 0.54 0.03 0.00 -0.00 0.00 0.00 52.55 53.13 1xoi s ASP 227 Cb -0.13 -2.16 0.01 0.00 -0.00 0.00 0.00 42.92 40.63 1xoi s ASP 227 CO -0.06 0.19 -0.22 -0.89 -0.00 0.00 0.00 175.17 174.19 1xoi s THR 228 N -0.01 1.96 0.33 -1.27 2.01 0.54 0.12 115.64 119.32 1xoi s THR 228 Ca 0.16 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 60.94 1xoi s THR 228 Cb -0.13 -1.72 -0.10 0.00 0.01 0.00 0.00 72.50 70.56 1xoi s THR 228 CO 0.05 0.53 1.26 -2.16 -0.69 0.00 0.00 174.62 173.61 1xoi s PRO 229 N 0.60 4.36 -0.40 4.92 0.04 -1.26 -1.06 135.00 142.21 1xoi s PRO 229 Ca -0.13 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.07 1xoi s PRO 229 Cb -0.17 -3.05 0.11 0.00 0.04 0.00 0.00 34.50 31.43 1xoi s PRO 229 CO 0.04 -0.15 0.12 0.08 0.04 0.00 0.00 177.00 177.13 1xoi s VAL 230 N -1.17 2.24 0.01 -0.36 1.01 0.24 -4.89 120.40 117.49 1xoi s VAL 230 Ca 0.49 -2.58 -0.30 0.00 0.00 0.00 0.00 61.98 59.58 1xoi s VAL 230 Cb -0.38 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1xoi s VAL 230 CO 0.50 -0.68 1.14 -2.16 0.00 0.00 0.00 175.10 173.90 1xoi s PRO 231 N 0.57 4.44 0.63 2.72 0.04 -1.26 -0.15 135.00 141.99 1xoi s PRO 231 Ca 0.13 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 1xoi s PRO 231 Cb -0.21 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 1xoi s PRO 231 CO -0.06 -0.25 1.06 0.20 0.04 0.00 0.00 177.00 177.98 1xoi s GLY 232 N 1.15 1.95 -0.29 0.56 0.00 0.45 -4.74 107.32 106.40 1xoi s GLY 232 Ca 0.56 0.27 -0.29 0.00 0.00 0.00 0.00 44.72 45.26 1xoi s GLY 232 CO 0.27 0.59 1.46 -0.47 0.00 0.00 0.00 173.10 174.94 1xoi s TYR 233 N -2.68 2.39 -1.48 1.90 5.04 -1.26 -4.07 117.35 117.18 1xoi s TYR 233 Ca 0.61 0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1xoi s TYR 233 Cb -0.15 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.16 1xoi s TYR 233 CO 0.44 -2.27 0.22 -1.33 -1.34 0.00 0.00 175.55 171.26 1xoi n MET 234 N 7.60 -2.16 -0.10 4.97 2.81 -0.31 -4.86 117.12 125.08 1xoi n MET 234 Ca 0.17 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 1xoi n MET 234 Cb 0.46 -4.07 0.00 0.00 -0.71 0.00 0.00 33.22 28.90 1xoi n MET 234 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1xoi n ASN 235 N -2.94 0.00 0.00 7.83 6.94 -1.26 -5.01 115.26 120.82 1xoi n ASN 235 Ca -0.32 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 1xoi n ASN 235 Cb 0.69 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 1xoi n ASN 235 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1xoi n ASN 236 N 0.00 -1.74 -4.79 0.53 3.02 -1.26 -4.02 115.26 107.00 1xoi n ASN 236 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1xoi n ASN 236 Cb 0.53 -2.01 -0.06 0.00 -0.61 0.00 0.00 39.78 37.63 1xoi n ASN 236 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xoi s THR 237 N -1.72 5.02 -0.24 3.41 2.01 -1.26 -4.25 115.64 118.60 1xoi s THR 237 Ca 0.00 0.98 -0.03 0.00 0.31 0.00 0.00 61.69 62.94 1xoi s THR 237 Cb 0.00 -3.80 0.08 0.00 0.01 0.00 0.00 72.50 68.79 1xoi s THR 237 CO 0.00 0.48 0.09 -0.69 -0.69 0.00 0.00 174.62 173.81 1xoi s VAL 238 N -0.45 0.20 0.43 3.82 1.01 -1.26 -0.41 120.40 123.74 1xoi s VAL 238 Ca 0.26 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1xoi s VAL 238 Cb -0.17 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.30 1xoi s VAL 238 CO 0.14 -0.50 0.58 0.59 0.00 0.00 0.00 175.10 175.91 1xoi n ASN 239 N 5.15 0.45 -4.12 3.32 5.03 0.78 -4.63 115.26 121.24 1xoi n ASN 239 Ca -0.06 -1.46 -0.24 0.00 0.87 0.00 0.00 54.58 53.70 1xoi n ASN 239 Cb 0.45 -0.41 -0.15 0.00 -1.02 0.00 0.00 39.78 38.65 1xoi n ASN 239 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xoi s THR 240 N -1.88 1.23 -0.28 3.41 2.01 -1.26 -0.59 115.64 118.28 1xoi s THR 240 Ca 0.36 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 1xoi s THR 240 Cb -0.02 -1.03 0.03 0.00 0.01 0.00 0.00 72.50 71.49 1xoi s THR 240 CO 0.24 0.35 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.20 1xoi s MET 241 N -0.24 2.72 -0.31 4.92 1.75 -0.22 -1.60 119.30 126.33 1xoi s MET 241 Ca 0.03 -1.07 -0.09 0.00 -1.25 0.00 0.00 55.69 53.31 1xoi s MET 241 Cb -0.07 -3.14 -0.01 0.00 2.84 0.00 0.00 34.83 34.45 1xoi s MET 241 CO 0.00 -0.50 0.14 0.50 -0.65 0.00 0.00 175.02 174.52 1xoi s ARG 242 N 1.33 3.31 -0.12 4.11 3.52 0.12 -0.34 118.95 130.88 1xoi s ARG 242 Ca -0.01 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 1xoi s ARG 242 Cb -0.18 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 1xoi s ARG 242 CO -0.02 -0.42 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.47 1xoi s LEU 243 N 1.60 3.07 -0.07 -0.88 1.02 0.05 -2.08 118.68 121.39 1xoi s LEU 243 Ca 0.04 -0.15 -0.06 0.00 0.02 0.00 0.00 54.13 53.99 1xoi s LEU 243 Cb -0.17 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 1xoi s LEU 243 CO 0.06 0.23 0.17 0.26 0.02 0.00 0.00 176.35 177.09 1xoi s TRP 244 N -0.03 3.59 -0.02 0.29 0.52 -0.44 -0.35 118.94 122.50 1xoi s TRP 244 Ca -0.00 0.49 0.07 0.00 0.02 0.00 0.00 56.10 56.68 1xoi s TRP 244 Cb -0.14 -1.92 -0.02 0.00 -1.15 0.00 0.00 33.47 30.25 1xoi s TRP 244 CO 0.03 0.70 -0.24 -1.12 0.02 0.00 0.00 176.95 176.34 1xoi s SER 245 N -1.37 2.81 0.16 2.95 0.01 -0.55 -0.50 113.70 117.20 1xoi s SER 245 Ca 0.20 -0.44 -0.25 0.00 1.31 0.00 0.00 55.95 56.78 1xoi s SER 245 Cb -0.12 -0.35 -0.08 0.00 0.21 0.00 0.00 66.02 65.68 1xoi s SER 245 CO 0.10 0.29 0.76 0.00 0.41 0.00 0.00 173.24 174.80 1xoi s ALA 246 N -0.53 3.45 -0.02 1.44 0.00 -1.26 -0.82 121.76 124.03 1xoi s ALA 246 Ca 0.08 0.34 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 1xoi s ALA 246 Cb -0.09 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1xoi s ALA 246 CO -0.01 0.29 0.11 0.50 0.00 0.00 0.00 175.76 176.65 1xoi s ARG 247 N -1.10 0.30 0.30 0.00 6.06 0.09 -4.47 118.95 120.13 1xoi s ARG 247 Ca 0.35 -0.17 -0.28 0.00 -2.50 0.00 0.00 55.73 53.13 1xoi s ARG 247 Cb -0.23 0.13 -0.09 0.00 0.06 0.00 0.00 34.95 34.81 1xoi s ARG 247 CO 0.26 -0.06 1.07 0.00 -2.50 0.00 0.00 175.30 174.07 1xoi s ALA 248 N -0.72 3.34 0.19 6.12 0.00 -1.26 0.01 121.76 129.44 1xoi s ALA 248 Ca -0.08 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1xoi s ALA 248 Cb -0.05 -3.30 0.10 0.00 0.00 0.00 0.00 23.12 19.87 1xoi s ALA 248 CO 0.01 -0.12 1.81 -1.35 0.00 0.00 0.00 175.76 176.11 1xoi h PRO 249 N 3.61 0.87 0.00 0.00 0.11 -1.95 -3.45 132.00 131.20 1xoi h PRO 249 Ca -0.47 -0.09 -0.28 0.00 0.11 0.00 0.00 66.00 65.27 1xoi h PRO 249 Cb 1.21 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1xoi h PRO 249 CO 0.66 0.64 -1.59 0.98 -0.21 0.00 0.00 178.00 178.48 1xoi n TYR 262 N -4.57 0.70 -0.04 0.65 9.36 -1.26 -5.09 117.16 116.91 1xoi n TYR 262 Ca 0.05 0.30 -0.09 0.00 3.32 0.00 0.00 57.90 61.48 1xoi n TYR 262 Cb 0.07 -1.05 -0.03 0.00 -0.63 0.00 0.00 39.34 37.71 1xoi n TYR 262 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1xoi h ILE 263 N -1.00 0.94 -0.96 2.97 1.08 -2.05 -0.78 117.51 117.71 1xoi h ILE 263 Ca -0.43 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1xoi h ILE 263 Cb 1.35 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 35.84 1xoi h ILE 263 CO -0.26 0.03 0.64 -0.61 -0.69 0.00 0.00 178.15 177.25 1xoi h GLN 264 N 0.14 1.27 -0.53 2.37 5.75 -2.05 0.21 115.11 122.26 1xoi h GLN 264 Ca 0.09 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1xoi h GLN 264 Cb 0.07 -0.29 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 1xoi h GLN 264 CO -0.10 0.84 0.29 0.00 -2.65 0.00 0.00 178.83 177.21 1xoi h ALA 265 N 1.40 0.69 -0.21 3.38 0.00 -1.82 0.28 119.26 122.97 1xoi h ALA 265 Ca 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1xoi h ALA 265 Cb -0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1xoi h ALA 265 CO -0.08 0.21 0.07 0.28 0.00 0.00 0.00 179.25 179.73 1xoi h VAL 266 N 0.72 1.18 -0.84 0.00 2.07 -0.45 -2.74 116.25 116.19 1xoi h VAL 266 Ca 0.19 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1xoi h VAL 266 Cb 0.05 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1xoi h VAL 266 CO -0.03 0.18 0.55 -0.07 0.02 0.00 0.00 177.57 178.23 1xoi h LEU 267 N 0.18 0.92 0.00 2.57 3.38 -0.60 -1.97 115.31 119.78 1xoi h LEU 267 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xoi h LEU 267 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xoi h LEU 267 CO -0.00 0.64 0.00 0.47 0.09 0.00 0.00 178.44 179.64 1xoi n ASP 268 N -4.43 0.00 0.29 -0.43 8.00 0.95 -1.54 116.55 119.39 1xoi n ASP 268 Ca 0.11 0.08 0.19 0.00 0.71 0.00 0.00 54.79 55.88 1xoi n ASP 268 Cb 0.08 -0.24 0.91 0.00 -0.02 0.00 0.00 41.12 41.85 1xoi n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1xoi h ARG 269 N 0.00 0.00 -0.59 -1.24 3.08 -1.35 -2.07 114.38 112.21 1xoi h ARG 269 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1xoi h ARG 269 Cb 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1xoi h ARG 269 CO 0.00 0.00 0.39 -0.91 -1.07 0.00 0.00 179.97 178.38 1xoi h ASN 270 N 0.00 0.41 -0.29 7.04 -0.26 -1.49 -2.79 115.58 118.19 1xoi h ASN 270 Ca 0.00 0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.78 1xoi h ASN 270 Cb 0.27 -0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.41 1xoi h ASN 270 CO 0.00 0.25 0.07 -0.07 -1.06 0.00 0.00 177.43 176.63 1xoi h LEU 271 N 0.46 0.05 -0.43 1.61 3.38 -1.61 0.44 115.31 119.19 1xoi h LEU 271 Ca 0.27 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1xoi h LEU 271 Cb 0.45 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1xoi h LEU 271 CO -0.08 0.06 -0.01 0.00 0.09 0.00 0.00 178.44 178.51 1xoi h ALA 272 N 1.20 0.59 0.00 1.53 0.00 -1.69 -2.75 119.26 118.14 1xoi h ALA 272 Ca 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xoi h ALA 272 Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xoi h ALA 272 CO -0.16 0.38 -0.01 0.93 0.00 0.00 0.00 179.25 180.39 1xoi h GLU 273 N 0.61 0.00 0.00 0.00 5.08 -1.32 -2.38 114.58 116.57 1xoi h GLU 273 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xoi h GLU 273 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1xoi h GLU 273 CO 0.02 0.01 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.11 1xoi h ASN 274 N 0.00 0.00 -0.92 1.42 -0.26 -0.60 -3.07 115.58 112.16 1xoi h ASN 274 Ca -0.00 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.80 1xoi h ASN 274 Cb 0.33 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.53 1xoi h ASN 274 CO 0.00 0.02 0.58 0.40 -1.06 0.00 0.00 177.43 177.38 1xoi h ILE 275 N 0.00 1.07 -0.47 2.81 2.04 -1.56 -2.13 117.51 119.28 1xoi h ILE 275 Ca -0.00 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 1xoi h ILE 275 Cb 0.23 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.15 1xoi h ILE 275 CO 0.00 0.20 0.08 -1.54 0.00 0.00 0.00 178.15 176.89 1xoi n SER 276 N -4.56 4.16 -0.01 1.72 3.41 -1.16 -4.62 113.62 112.55 1xoi n SER 276 Ca 0.13 -3.21 -0.13 0.00 -0.26 0.00 0.00 58.87 55.41 1xoi n SER 276 Cb 0.17 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.37 1xoi n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xoi h ARG 277 N 2.17 -0.02 -4.20 4.33 2.43 -1.40 -1.73 114.38 115.97 1xoi h ARG 277 Ca 0.13 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.06 1xoi h ARG 277 Cb 1.84 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 31.16 1xoi h ARG 277 CO 0.45 0.50 -0.72 0.08 -1.51 0.00 0.00 179.97 178.77 1xoi s VAL 278 N -4.08 0.29 -0.01 0.20 1.01 -1.26 -0.75 120.40 115.81 1xoi s VAL 278 Ca -0.16 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1xoi s VAL 278 Cb 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1xoi s VAL 278 CO 0.67 -0.26 0.94 -0.22 0.00 0.00 0.00 175.10 176.23 1xoi s LEU 279 N -1.01 4.37 -0.16 3.92 2.96 -0.89 -4.98 118.68 122.89 1xoi s LEU 279 Ca -0.08 1.60 -0.29 0.00 -0.22 0.00 0.00 54.13 55.14 1xoi s LEU 279 Cb -0.07 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1xoi s LEU 279 CO -0.00 -0.24 1.71 -0.31 -1.32 0.00 0.00 176.35 176.19 1xoi s TYR 280 N 0.96 1.92 -0.43 5.38 2.02 -1.26 -4.81 117.35 121.13 1xoi s TYR 280 Ca 0.50 0.38 0.00 0.00 -0.37 0.00 0.00 57.07 57.58 1xoi s TYR 280 Cb -0.21 -3.98 0.00 0.00 -0.40 0.00 0.00 41.96 37.37 1xoi s TYR 280 CO 0.27 -3.48 0.42 -0.35 -1.57 0.00 0.00 175.55 170.84 1xoi n PRO 281 N 7.63 0.54 -3.57 -1.71 -0.04 -1.26 -4.87 135.00 131.72 1xoi n PRO 281 Ca 0.20 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.29 1xoi n PRO 281 Cb 0.44 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 1xoi n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xoi s ASN 282 N 0.37 6.49 -0.17 3.54 0.01 -1.26 -4.48 114.94 119.43 1xoi s ASN 282 Ca 0.00 0.57 -0.01 0.00 -0.71 0.00 0.00 52.86 52.71 1xoi s ASN 282 Cb 0.00 -2.18 -0.00 0.00 0.41 0.00 0.00 41.25 39.48 1xoi s ASN 282 CO 0.00 0.17 -0.12 -0.62 -1.51 0.00 0.00 177.10 175.02 1xoi s ASP 283 N 0.07 3.87 -1.51 -1.22 -1.08 -1.26 -4.66 116.67 110.88 1xoi s ASP 283 Ca 0.17 -0.44 -0.10 0.00 -0.52 0.00 0.00 52.55 51.67 1xoi s ASP 283 Cb -0.13 -1.62 0.07 0.00 -1.46 0.00 0.00 42.92 39.78 1xoi s ASP 283 CO 0.05 0.06 0.76 0.59 0.52 0.00 0.00 175.17 177.15 1xoi n ASN 284 N 4.26 -2.82 -3.67 -0.34 4.13 -1.26 -4.97 115.26 110.59 1xoi n ASN 284 Ca -0.19 -0.89 -0.08 0.00 1.68 0.00 0.00 54.58 55.10 1xoi n ASN 284 Cb 0.51 -3.46 -0.09 0.00 -1.54 0.00 0.00 39.78 35.21 1xoi n ASN 284 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1xoi s PHE 285 N -3.51 -0.86 -0.11 3.10 5.36 -1.26 -4.16 117.98 116.54 1xoi s PHE 285 Ca 0.42 1.65 -0.22 0.00 -0.96 0.00 0.00 56.93 57.83 1xoi s PHE 285 Cb -0.22 0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 42.84 1xoi s PHE 285 CO 0.86 -0.47 0.65 0.12 -1.46 0.00 0.00 175.22 174.91 1xoi s PHE 286 N 2.17 3.51 -0.30 10.12 5.36 0.36 -4.84 117.98 134.35 1xoi s PHE 286 Ca -0.06 1.10 0.02 0.00 -0.96 0.00 0.00 56.93 57.03 1xoi s PHE 286 Cb -0.10 -2.76 0.09 0.00 -0.34 0.00 0.00 43.02 39.90 1xoi s PHE 286 CO -0.15 0.02 0.03 -2.00 -1.46 0.00 0.00 175.22 171.66 1xoi s GLU 287 N 1.11 1.38 -0.61 10.12 2.12 -1.26 -4.95 118.70 126.62 1xoi s GLU 287 Ca 0.33 -1.43 -0.06 0.00 0.36 0.00 0.00 54.97 54.17 1xoi s GLU 287 Cb -0.17 -2.74 -0.15 0.00 0.26 0.00 0.00 34.13 31.34 1xoi s GLU 287 CO 0.14 -0.84 2.82 0.41 -0.54 0.00 0.00 175.26 177.25 1xoi n GLY 288 N 4.51 3.14 3.78 -1.50 0.00 -1.26 -4.91 105.19 108.95 1xoi n GLY 288 Ca -0.03 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 1xoi n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xoi s LYS 289 N 2.00 4.57 0.34 1.61 -0.14 -1.26 -4.97 119.74 121.89 1xoi s LYS 289 Ca 0.55 1.24 0.03 0.00 -1.36 0.00 0.00 55.97 56.43 1xoi s LYS 289 Cb 0.21 -2.99 0.63 0.00 -1.68 0.00 0.00 37.83 34.00 1xoi s LYS 289 CO -0.02 0.40 1.96 1.49 -0.76 0.00 0.00 175.35 178.41 1xoi h GLU 290 N 3.60 0.86 -0.50 1.68 4.81 -2.00 -1.52 114.58 121.51 1xoi h GLU 290 Ca -0.47 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 1xoi h GLU 290 Cb 1.20 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1xoi h GLU 290 CO 0.66 0.57 0.20 1.25 -0.73 0.00 0.00 179.01 180.96 1xoi h LEU 291 N 0.89 0.65 -0.42 1.64 5.85 -1.98 -0.89 115.31 121.04 1xoi h LEU 291 Ca 0.32 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1xoi h LEU 291 Cb 0.13 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1xoi h LEU 291 CO -0.10 0.59 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.44 1xoi h ARG 292 N 0.71 0.79 -0.80 1.25 9.65 -1.65 -1.91 114.38 122.42 1xoi h ARG 292 Ca 0.17 -0.28 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1xoi h ARG 292 Cb 0.14 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 1xoi h ARG 292 CO -0.02 0.89 0.47 1.25 2.80 0.00 0.00 179.97 185.36 1xoi h LEU 293 N 0.61 0.96 -0.88 3.80 5.85 -0.87 -1.71 115.31 123.07 1xoi h LEU 293 Ca 0.11 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1xoi h LEU 293 Cb 0.57 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1xoi h LEU 293 CO 0.03 0.75 0.18 0.11 -0.34 0.00 0.00 178.44 179.17 1xoi h LYS 294 N 1.10 1.00 -0.43 1.25 1.57 -0.86 -1.72 116.57 118.48 1xoi h LYS 294 Ca 0.28 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1xoi h LYS 294 Cb -0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1xoi h LYS 294 CO -0.05 0.88 0.13 1.96 -0.57 0.00 0.00 179.45 181.79 1xoi h GLN 295 N 0.96 0.68 -0.10 3.15 4.20 -0.62 0.11 115.11 123.49 1xoi h GLN 295 Ca 0.21 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1xoi h GLN 295 Cb 0.31 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1xoi h GLN 295 CO -0.00 0.67 0.06 0.93 -0.67 0.00 0.00 178.83 179.81 1xoi h GLU 296 N 0.56 0.12 -0.49 1.46 5.08 -1.04 -1.54 114.58 118.73 1xoi h GLU 296 Ca 0.14 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1xoi h GLU 296 Cb 0.28 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1xoi h GLU 296 CO -0.00 0.08 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.07 1xoi h TYR 297 N 0.13 1.00 0.03 4.33 3.20 -1.25 -2.60 116.97 121.81 1xoi h TYR 297 Ca 0.04 -0.19 0.03 0.00 3.14 0.00 0.00 58.73 61.75 1xoi h TYR 297 Cb -0.01 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 37.96 1xoi h TYR 297 CO -0.08 0.94 -0.38 0.35 -1.64 0.00 0.00 178.16 177.36 1xoi h PHE 298 N 0.81 -1.05 -0.24 -3.82 3.57 -0.54 0.35 116.94 116.02 1xoi h PHE 298 Ca 0.13 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1xoi h PHE 298 Cb 0.62 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1xoi h PHE 298 CO 0.04 -0.47 0.14 0.28 -2.23 0.00 0.00 178.31 176.07 1xoi h VAL 299 N -0.55 1.03 -0.07 1.41 2.07 -1.26 -2.41 116.25 116.47 1xoi h VAL 299 Ca 0.05 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1xoi h VAL 299 Cb 0.62 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1xoi h VAL 299 CO -0.28 0.05 -0.04 0.58 0.02 0.00 0.00 177.57 177.91 1xoi h VAL 300 N 0.30 0.88 0.11 2.57 2.07 -1.14 0.72 116.25 121.75 1xoi h VAL 300 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1xoi h VAL 300 Cb -0.01 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1xoi h VAL 300 CO -0.04 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.49 1xoi h ALA 301 N 1.04 -0.15 -0.54 1.67 0.00 -0.22 -1.03 119.26 120.02 1xoi h ALA 301 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xoi h ALA 301 Cb 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xoi h ALA 301 CO -0.10 -0.55 0.26 0.00 0.00 0.00 0.00 179.25 178.87 1xoi h ALA 302 N 0.66 0.70 0.84 0.00 0.00 -1.41 -2.17 119.26 117.88 1xoi h ALA 302 Ca -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1xoi h ALA 302 Cb 0.17 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xoi h ALA 302 CO 0.03 0.26 -0.41 1.15 0.00 0.00 0.00 179.25 180.27 1xoi h THR 303 N 0.73 0.16 -0.80 0.00 2.02 -0.70 -1.12 112.91 113.20 1xoi h THR 303 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1xoi h THR 303 Cb 0.11 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 1xoi h THR 303 CO -0.02 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 176.30 1xoi h LEU 304 N -1.14 0.81 -0.74 2.58 3.38 -1.22 0.14 115.31 119.13 1xoi h LEU 304 Ca -0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1xoi h LEU 304 Cb 0.88 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1xoi h LEU 304 CO 0.18 0.55 0.25 -0.61 0.09 0.00 0.00 178.44 178.90 1xoi h GLN 305 N 0.95 1.14 -0.38 1.13 4.15 -1.35 -0.35 115.11 120.40 1xoi h GLN 305 Ca 0.33 -0.23 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 1xoi h GLN 305 Cb 0.07 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1xoi h GLN 305 CO -0.13 0.96 -0.21 0.22 -1.93 0.00 0.00 178.83 177.73 1xoi h ASP 306 N 1.09 0.76 -0.45 -0.69 3.58 -0.54 -0.71 116.42 119.46 1xoi h ASP 306 Ca 0.24 -0.27 -0.06 0.00 0.42 0.00 0.00 57.03 57.36 1xoi h ASP 306 Cb 0.28 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1xoi h ASP 306 CO -0.01 0.96 0.03 0.40 -2.88 0.00 0.00 179.24 177.74 1xoi h ILE 307 N 0.66 1.26 -0.35 2.25 2.04 -0.26 -1.74 117.51 121.37 1xoi h ILE 307 Ca 0.09 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.89 1xoi h ILE 307 Cb 0.72 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1xoi h ILE 307 CO 0.06 0.34 -0.06 0.40 0.00 0.00 0.00 178.15 178.89 1xoi h ILE 308 N 0.63 1.27 -0.41 -0.67 2.04 -0.92 -1.31 117.51 118.15 1xoi h ILE 308 Ca 0.13 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 64.96 1xoi h ILE 308 Cb 0.45 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1xoi h ILE 308 CO 0.02 0.36 0.10 -0.09 0.00 0.00 0.00 178.15 178.54 1xoi h ARG 309 N 0.45 0.23 -0.67 2.37 2.43 -1.03 0.94 114.38 119.10 1xoi h ARG 309 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1xoi h ARG 309 Cb 0.55 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1xoi h ARG 309 CO 0.03 0.15 0.44 -0.09 -1.51 0.00 0.00 179.97 178.99 1xoi h ARG 310 N 0.24 0.89 0.46 0.20 2.43 -1.15 -2.20 114.38 115.26 1xoi h ARG 310 Ca 0.20 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1xoi h ARG 310 Cb 0.22 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1xoi h ARG 310 CO -0.24 0.60 -0.26 0.35 -1.51 0.00 0.00 179.97 178.92 1xoi h PHE 311 N 0.91 -0.67 0.00 2.20 3.57 -0.34 -1.44 116.94 121.18 1xoi h PHE 311 Ca 0.25 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1xoi h PHE 311 Cb -0.09 0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1xoi h PHE 311 CO -0.02 -0.40 0.00 1.63 -2.23 0.00 0.00 178.31 177.28 1xoi n LYS 312 N -5.39 0.09 -0.01 1.11 5.02 0.24 -1.10 118.16 118.12 1xoi n LYS 312 Ca -0.11 0.23 0.08 0.00 -2.02 0.00 0.00 58.31 56.48 1xoi n LYS 312 Cb 0.29 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.68 1xoi n LYS 312 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xoi n ALA 313 N -1.29 2.69 0.14 7.82 0.00 -0.84 -4.40 120.51 124.63 1xoi n ALA 313 Ca 0.03 -0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.13 1xoi n ALA 313 Cb 0.05 -0.56 0.26 0.00 0.00 0.00 0.00 19.45 19.20 1xoi n ALA 313 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xoi n SER 314 N -2.02 0.22 -1.17 0.00 3.41 -0.26 -4.79 113.62 109.02 1xoi n SER 314 Ca -0.03 0.59 -0.15 0.00 -0.26 0.00 0.00 58.87 59.03 1xoi n SER 314 Cb 0.41 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.67 1xoi n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xoi n LYS 315 N -1.79 -1.60 -0.73 4.33 5.02 -1.26 -4.88 118.16 117.25 1xoi n LYS 315 Ca 0.00 1.02 -0.26 0.00 -2.02 0.00 0.00 58.31 57.06 1xoi n LYS 315 Cb 0.05 -5.43 0.03 0.00 -0.02 0.00 0.00 35.03 29.66 1xoi n LYS 315 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1xoi n PHE 316 N -2.26 -3.50 -0.95 2.13 1.16 -1.26 -4.35 117.46 108.43 1xoi n PHE 316 Ca -0.15 0.02 -0.37 0.00 -1.87 0.00 0.00 57.45 55.07 1xoi n PHE 316 Cb 0.63 -1.03 -0.06 0.00 -1.61 0.00 0.00 39.48 37.41 1xoi n PHE 316 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1xoi n GLY 317 N 2.38 0.09 2.65 4.97 0.00 -1.26 -3.49 105.19 110.53 1xoi n GLY 317 Ca -0.01 0.57 -0.00 0.00 0.00 0.00 0.00 46.02 46.58 1xoi n GLY 317 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xoi n SER 318 N 2.45 -4.65 -0.63 1.61 2.88 -1.26 -4.80 113.62 109.22 1xoi n SER 318 Ca 0.19 1.05 0.03 0.00 -1.33 0.00 0.00 58.87 58.81 1xoi n SER 318 Cb -0.03 -1.98 0.11 0.00 -0.75 0.00 0.00 64.21 61.56 1xoi n SER 318 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1xoi n THR 319 N 2.27 0.53 0.00 2.46 -2.24 -1.23 -4.66 114.28 111.41 1xoi n THR 319 Ca -0.03 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1xoi n THR 319 Cb 0.05 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1xoi n THR 319 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1xoi n ARG 320 N 0.19 0.00 -0.15 -0.78 0.63 -1.26 -4.53 116.66 110.76 1xoi n ARG 320 Ca 0.08 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.92 1xoi n ARG 320 Cb 0.34 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.33 1xoi n ARG 320 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xoi n GLY 321 N 0.00 -2.69 5.63 5.14 0.00 -1.26 -1.56 105.19 110.45 1xoi n GLY 321 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1xoi n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xoi n ALA 322 N -3.29 0.00 0.28 4.61 0.00 -1.26 0.18 120.51 121.03 1xoi n ALA 322 Ca -0.06 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.56 1xoi n ALA 322 Cb 0.17 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.32 1xoi n ALA 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xoi h ALA 323 N -0.37 1.00 -4.56 0.00 0.00 -1.88 -3.46 119.26 109.99 1xoi h ALA 323 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1xoi h ALA 323 Cb 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1xoi h ALA 323 CO 0.00 0.01 -0.25 0.25 0.00 0.00 0.00 179.25 179.27 1xoi n THR 324 N -3.11 0.00 0.00 0.00 -2.24 0.13 -3.80 114.28 105.26 1xoi n THR 324 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xoi n THR 324 Cb 0.30 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1xoi n THR 324 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1xoi n VAL 325 N -2.17 0.00 -0.16 2.28 0.31 -1.26 -4.76 118.33 112.57 1xoi n VAL 325 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1xoi n VAL 325 Cb 0.32 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1xoi n VAL 325 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1xoi n PHE 326 N 0.00 0.00 0.16 3.52 0.99 -1.25 -4.55 117.46 116.34 1xoi n PHE 326 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 1xoi n PHE 326 Cb 0.00 -1.02 0.17 0.00 -1.00 0.00 0.00 39.48 37.63 1xoi n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1xoi h ASP 327 N 0.00 0.00 0.10 4.37 3.32 -1.88 -2.79 116.42 119.55 1xoi h ASP 327 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xoi h ASP 327 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xoi h ASP 327 CO 0.00 0.46 -0.20 0.00 -1.72 0.00 0.00 179.24 177.78 1xoi n ALA 328 N -2.26 2.96 -0.13 3.45 0.00 -1.26 -4.36 120.51 118.90 1xoi n ALA 328 Ca 0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 1xoi n ALA 328 Cb 0.64 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 19.05 1xoi n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xoi h PHE 329 N 2.03 -0.35 0.00 0.00 3.57 -1.85 0.08 116.94 120.44 1xoi h PHE 329 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xoi h PHE 329 Cb 0.59 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1xoi h PHE 329 CO 0.00 -0.23 -0.02 -1.35 -2.23 0.00 0.00 178.31 174.47 1xoi h PRO 330 N -0.05 0.00 0.00 6.41 0.11 -1.78 0.28 132.00 136.97 1xoi h PRO 330 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1xoi h PRO 330 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1xoi h PRO 330 CO -0.48 0.02 -0.59 -0.25 -0.21 0.00 0.00 178.00 176.50 1xoi n ASP 331 N -3.22 0.58 -0.00 -2.05 8.00 -0.07 -4.01 116.55 115.78 1xoi n ASP 331 Ca -0.02 -0.05 0.03 0.00 0.71 0.00 0.00 54.79 55.46 1xoi n ASP 331 Cb 0.17 0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 1xoi n ASP 331 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xoi n GLN 332 N -1.81 4.02 -4.07 -1.24 1.13 -0.64 -4.50 117.38 110.27 1xoi n GLN 332 Ca 0.04 -0.01 -0.16 0.00 -1.94 0.00 0.00 57.00 54.93 1xoi n GLN 332 Cb 0.39 -0.87 -0.15 0.00 0.11 0.00 0.00 30.24 29.72 1xoi n GLN 332 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1xoi s VAL 333 N -1.76 0.33 -0.05 5.09 1.01 0.90 -1.29 120.40 124.63 1xoi s VAL 333 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1xoi s VAL 333 Cb 0.05 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1xoi s VAL 333 CO 0.27 0.13 -0.04 0.00 0.00 0.00 0.00 175.10 175.46 1xoi s ALA 334 N 0.36 0.67 -0.18 5.51 0.00 -0.60 -4.51 121.76 123.01 1xoi s ALA 334 Ca -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1xoi s ALA 334 Cb -0.07 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1xoi s ALA 334 CO -0.01 -0.07 -0.14 0.42 0.00 0.00 0.00 175.76 175.96 1xoi s ILE 335 N 1.05 1.76 -0.26 0.00 1.01 -0.66 0.01 121.20 124.11 1xoi s ILE 335 Ca -0.09 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 1xoi s ILE 335 Cb -0.14 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1xoi s ILE 335 CO -0.01 0.36 0.30 -1.58 0.00 0.00 0.00 174.94 174.02 1xoi s GLN 336 N 1.38 4.03 -0.52 2.79 2.00 0.02 -2.28 119.66 127.08 1xoi s GLN 336 Ca 0.02 -0.07 -0.25 0.00 -2.00 0.00 0.00 55.36 53.07 1xoi s GLN 336 Cb -0.14 -3.62 0.04 0.00 0.80 0.00 0.00 33.01 30.08 1xoi s GLN 336 CO -0.10 -0.17 0.95 -0.51 -0.50 0.00 0.00 175.29 174.96 1xoi s LEU 337 N 1.73 4.03 -0.89 3.68 1.02 0.39 -1.95 118.68 126.69 1xoi s LEU 337 Ca 0.13 -0.16 -0.25 0.00 0.02 0.00 0.00 54.13 53.87 1xoi s LEU 337 Cb -0.15 -2.98 0.02 0.00 0.02 0.00 0.00 46.19 43.10 1xoi s LEU 337 CO 0.09 -1.18 1.51 0.21 0.02 0.00 0.00 176.35 177.00 1xoi s ASN 338 N 2.64 6.10 0.35 2.29 2.47 -0.94 -1.72 114.94 126.13 1xoi s ASN 338 Ca 0.33 -0.92 0.00 0.00 0.42 0.00 0.00 52.86 52.70 1xoi s ASN 338 Cb -0.11 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1xoi s ASN 338 CO 0.22 -1.86 0.00 -0.67 -3.72 0.00 0.00 177.10 171.08 1xoi n ASP 339 N 10.10 -3.63 -0.12 -4.21 -0.08 -0.61 -4.24 116.55 113.77 1xoi n ASP 339 Ca 0.25 0.36 0.15 0.00 -1.51 0.00 0.00 54.79 54.03 1xoi n ASP 339 Cb 0.50 -1.01 0.69 0.00 2.34 0.00 0.00 41.12 43.64 1xoi n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1xoi n THR 340 N -1.75 0.00 -0.33 5.18 -2.24 -1.26 -4.18 114.28 109.70 1xoi n THR 340 Ca 0.00 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1xoi n THR 340 Cb 0.15 -0.16 0.35 0.00 -2.10 0.00 0.00 70.33 68.56 1xoi n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1xoi h HIS 341 N 0.57 0.97 -0.79 4.78 3.86 -1.96 0.78 115.15 123.35 1xoi h HIS 341 Ca 0.00 0.03 -0.31 0.00 -1.16 0.00 0.00 60.37 58.93 1xoi h HIS 341 Cb 0.29 -0.30 -0.19 0.00 1.06 0.00 0.00 27.41 28.28 1xoi h HIS 341 CO 0.00 0.27 0.37 -0.35 0.86 0.00 0.00 177.93 179.08 1xoi n PRO 342 N -4.67 3.04 -0.24 2.45 -0.04 -1.26 -4.63 135.00 129.66 1xoi n PRO 342 Ca 0.21 -3.07 0.21 0.00 -0.04 0.00 0.00 63.50 60.81 1xoi n PRO 342 Cb 0.54 -2.16 0.54 0.00 -0.04 0.00 0.00 33.50 32.38 1xoi n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xoi h ALA 343 N 1.93 2.30 0.00 0.55 0.00 -1.09 -0.07 119.26 122.87 1xoi h ALA 343 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1xoi h ALA 343 Cb 2.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.23 1xoi h ALA 343 CO 0.83 -0.59 0.08 1.28 0.00 0.00 0.00 179.25 180.86 1xoi n LEU 344 N -4.48 0.50 -0.15 0.00 4.77 -1.26 -1.74 117.00 114.63 1xoi n LEU 344 Ca 0.19 0.71 0.06 0.00 -0.03 0.00 0.00 56.01 56.94 1xoi n LEU 344 Cb 0.74 -0.74 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 1xoi n LEU 344 CO 0.31 -0.88 1.21 0.00 -1.33 0.00 0.00 177.39 176.70 1xoi h ALA 345 N 1.77 1.72 0.80 -1.18 0.00 -1.36 -0.48 119.26 120.53 1xoi h ALA 345 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xoi h ALA 345 Cb 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xoi h ALA 345 CO 0.00 0.18 -0.39 0.82 0.00 0.00 0.00 179.25 179.87 1xoi h ILE 346 N 0.71 0.08 0.00 0.00 2.04 -1.57 -0.87 117.51 117.90 1xoi h ILE 346 Ca 0.28 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1xoi h ILE 346 Cb 0.22 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1xoi h ILE 346 CO -0.09 0.01 -0.06 1.55 0.00 0.00 0.00 178.15 179.56 1xoi h PRO 347 N -1.23 0.00 -0.18 2.37 0.13 -1.71 -2.53 132.00 128.85 1xoi h PRO 347 Ca -0.11 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.82 1xoi h PRO 347 Cb 0.84 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.97 1xoi h PRO 347 CO 0.18 0.06 -0.68 1.49 -0.23 0.00 0.00 178.00 178.82 1xoi h GLU 348 N 0.00 0.78 -0.43 0.86 4.57 -0.91 -1.06 114.58 118.39 1xoi h GLU 348 Ca -0.00 -0.60 -0.05 0.00 -1.18 0.00 0.00 59.36 57.53 1xoi h GLU 348 Cb 0.32 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1xoi h GLU 348 CO 0.01 1.21 0.06 1.25 -1.18 0.00 0.00 179.01 180.36 1xoi h LEU 349 N 0.52 0.69 -0.67 1.64 5.85 -0.84 -1.60 115.31 120.90 1xoi h LEU 349 Ca -0.03 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.47 1xoi h LEU 349 Cb 1.30 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1xoi h LEU 349 CO 0.14 0.78 0.40 0.24 -0.34 0.00 0.00 178.44 179.66 1xoi h MET 350 N 0.58 0.73 -0.50 1.25 2.86 -1.43 0.91 114.93 119.32 1xoi h MET 350 Ca 0.13 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1xoi h MET 350 Cb 0.39 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1xoi h MET 350 CO 0.01 0.49 0.31 -0.09 1.06 0.00 0.00 176.91 178.69 1xoi h ARG 351 N 0.76 0.61 -0.16 1.72 2.43 -0.85 0.16 114.38 119.05 1xoi h ARG 351 Ca 0.29 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1xoi h ARG 351 Cb 0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1xoi h ARG 351 CO -0.14 0.41 0.03 0.82 -1.51 0.00 0.00 179.97 179.57 1xoi h ILE 352 N 0.63 1.21 -0.39 1.20 2.04 -0.67 0.45 117.51 121.99 1xoi h ILE 352 Ca 0.20 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1xoi h ILE 352 Cb -0.02 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1xoi h ILE 352 CO -0.07 0.20 0.24 -0.26 0.00 0.00 0.00 178.15 178.26 1xoi h PHE 353 N 0.05 0.50 0.00 1.37 0.05 -0.58 0.22 116.94 118.55 1xoi h PHE 353 Ca 0.05 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.84 1xoi h PHE 353 Cb 0.28 -0.17 0.00 0.00 2.00 0.00 0.00 35.95 38.07 1xoi h PHE 353 CO 0.01 0.34 -0.02 0.28 -0.18 0.00 0.00 178.31 178.74 1xoi h VAL 354 N 0.51 0.00 -0.06 -0.55 2.07 -0.68 0.36 116.25 117.91 1xoi h VAL 354 Ca 0.14 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1xoi h VAL 354 Cb -0.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1xoi h VAL 354 CO -0.03 0.00 -0.40 0.44 0.02 0.00 0.00 177.57 177.60 1xoi h ASP 355 N -0.65 0.12 0.00 0.57 3.32 -1.06 -2.27 116.42 116.45 1xoi h ASP 355 Ca 0.00 -0.05 -0.34 0.00 0.02 0.00 0.00 57.03 56.66 1xoi h ASP 355 Cb 0.02 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 1xoi h ASP 355 CO 0.00 0.52 -2.14 -0.38 -1.72 0.00 0.00 179.24 175.51 1xoi n ILE 356 N -4.04 1.12 1.54 0.35 5.41 -1.02 -4.56 119.36 118.16 1xoi n ILE 356 Ca -0.02 -0.30 0.15 0.00 1.00 0.00 0.00 62.75 63.58 1xoi n ILE 356 Cb 0.45 -1.73 0.67 0.00 -0.71 0.00 0.00 39.64 38.32 1xoi n ILE 356 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xoi n GLU 357 N -3.85 0.90 -2.60 0.38 -0.58 0.74 -4.94 120.64 110.69 1xoi n GLU 357 Ca -0.40 -0.30 -0.18 0.00 -0.42 0.00 0.00 57.16 55.86 1xoi n GLU 357 Cb 0.79 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 30.17 1xoi n GLU 357 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xoi n LYS 358 N -0.79 -2.53 -2.89 3.49 4.76 -0.71 -4.83 118.16 114.66 1xoi n LYS 358 Ca 0.17 0.79 -0.32 0.00 -2.87 0.00 0.00 58.31 56.07 1xoi n LYS 358 Cb 0.25 -5.46 -0.06 0.00 -1.84 0.00 0.00 35.03 27.92 1xoi n LYS 358 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xoi s LEU 359 N -6.01 3.93 0.45 -0.35 1.43 0.12 -4.96 118.68 113.28 1xoi s LEU 359 Ca 0.08 1.45 -0.24 0.00 -1.03 0.00 0.00 54.13 54.40 1xoi s LEU 359 Cb -0.04 -4.30 -0.08 0.00 0.03 0.00 0.00 46.19 41.81 1xoi s LEU 359 CO 0.10 -0.34 1.20 -2.16 0.23 0.00 0.00 176.35 175.38 1xoi s PRO 360 N -3.30 3.79 0.18 1.29 0.04 -1.26 -4.34 135.00 131.39 1xoi s PRO 360 Ca 0.57 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 63.26 1xoi s PRO 360 Cb -0.10 -2.49 0.09 0.00 0.04 0.00 0.00 34.50 32.04 1xoi s PRO 360 CO 0.19 -0.55 1.59 2.35 0.04 0.00 0.00 177.00 180.62 1xoi h TRP 361 N 2.19 -0.96 -1.00 0.56 7.01 -1.96 -1.01 115.95 120.78 1xoi h TRP 361 Ca -0.49 0.07 0.15 0.00 2.11 0.00 0.00 58.89 60.72 1xoi h TRP 361 Cb 1.25 0.50 -0.09 0.00 -2.10 0.00 0.00 29.16 28.72 1xoi h TRP 361 CO 0.53 -0.39 0.62 0.66 -2.79 0.00 0.00 178.44 177.07 1xoi h SER 362 N -0.20 0.85 -0.11 2.65 4.64 -1.99 0.46 113.55 119.84 1xoi h SER 362 Ca 0.21 0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1xoi h SER 362 Cb 0.55 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1xoi h SER 362 CO -0.63 0.40 -0.12 0.50 -0.87 0.00 0.00 176.83 176.11 1xoi h LYS 363 N 0.89 0.28 -0.42 4.77 1.63 -1.64 -2.36 116.57 119.72 1xoi h LYS 363 Ca 0.52 -0.15 0.04 0.00 -0.85 0.00 0.00 60.65 60.22 1xoi h LYS 363 Cb 0.66 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.26 1xoi h LYS 363 CO -0.30 0.69 0.18 0.00 -3.45 0.00 0.00 179.45 176.56 1xoi h ALA 364 N 0.59 0.51 -0.95 5.00 0.00 -0.41 -1.34 119.26 122.65 1xoi h ALA 364 Ca 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xoi h ALA 364 Cb 0.64 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1xoi h ALA 364 CO 0.03 -0.20 0.59 2.35 0.00 0.00 0.00 179.25 182.02 1xoi h TRP 365 N 0.36 1.25 0.37 0.00 -0.00 -0.94 0.70 115.95 117.69 1xoi h TRP 365 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.06 1xoi h TRP 365 Cb 0.14 -0.41 0.00 0.00 -0.00 0.00 0.00 29.16 28.89 1xoi h TRP 365 CO -0.13 0.82 -0.18 1.49 -0.00 0.00 0.00 178.44 180.44 1xoi h GLU 366 N 1.31 -0.48 -0.35 2.65 4.81 -0.82 -1.72 114.58 119.97 1xoi h GLU 366 Ca 0.34 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1xoi h GLU 366 Cb -0.08 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1xoi h GLU 366 CO -0.07 -0.30 0.12 -0.07 -0.73 0.00 0.00 179.01 177.96 1xoi h LEU 367 N -0.53 0.45 -0.02 1.64 3.38 -1.04 -2.50 115.31 116.68 1xoi h LEU 367 Ca -0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xoi h LEU 367 Cb 0.40 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xoi h LEU 367 CO 0.08 0.43 0.01 0.74 0.09 0.00 0.00 178.44 179.79 1xoi h THR 368 N 0.50 1.19 -0.69 0.22 2.02 -0.60 -2.04 112.91 113.51 1xoi h THR 368 Ca 0.12 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1xoi h THR 368 Cb 0.13 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1xoi h THR 368 CO -0.01 0.15 0.29 1.56 0.37 0.00 0.00 175.52 177.88 1xoi h GLN 369 N -0.19 1.00 0.00 6.66 4.20 -1.14 -1.90 115.11 123.74 1xoi h GLN 369 Ca 0.01 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1xoi h GLN 369 Cb 0.24 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1xoi h GLN 369 CO 0.00 0.80 -0.10 0.87 -0.67 0.00 0.00 178.83 179.73 1xoi h LYS 370 N 0.98 0.00 0.07 1.46 1.57 -1.36 -2.42 116.57 116.87 1xoi h LYS 370 Ca 0.23 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.83 1xoi h LYS 370 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1xoi h LYS 370 CO -0.02 0.10 -0.93 1.15 -0.57 0.00 0.00 179.45 179.17 1xoi h THR 371 N 0.00 1.28 -3.53 -0.16 2.02 -0.62 -3.47 112.91 108.43 1xoi h THR 371 Ca -0.00 -2.36 -0.52 0.00 0.77 0.00 0.00 66.41 64.29 1xoi h THR 371 Cb 0.51 2.86 -0.03 0.00 -1.74 0.00 0.00 68.15 69.75 1xoi h THR 371 CO 0.01 0.60 -0.02 -0.36 0.37 0.00 0.00 175.52 176.12 1xoi s PHE 372 N -2.38 3.46 -0.02 3.16 0.40 -0.81 -1.65 117.98 120.14 1xoi s PHE 372 Ca -0.20 1.06 -0.02 0.00 -0.60 0.00 0.00 56.93 57.17 1xoi s PHE 372 Cb 0.02 -2.40 0.01 0.00 0.51 0.00 0.00 43.02 41.16 1xoi s PHE 372 CO 0.72 0.24 0.05 0.00 0.70 0.00 0.00 175.22 176.94 1xoi s ALA 373 N -1.79 -0.13 -0.10 5.36 0.00 -0.97 -1.51 121.76 122.63 1xoi s ALA 373 Ca 0.48 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1xoi s ALA 373 Cb -0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1xoi s ALA 373 CO 0.20 -0.03 -0.21 -0.47 0.00 0.00 0.00 175.76 175.25 1xoi s TYR 374 N 0.06 2.61 -0.21 0.00 5.04 0.39 -0.46 117.35 124.77 1xoi s TYR 374 Ca -0.00 -0.85 -0.05 0.00 -2.44 0.00 0.00 57.07 53.72 1xoi s TYR 374 Cb -0.01 -1.72 -0.02 0.00 0.35 0.00 0.00 41.96 40.56 1xoi s TYR 374 CO -0.00 -0.31 0.01 0.99 -1.34 0.00 0.00 175.55 174.90 1xoi s THR 375 N 0.21 3.93 -0.17 4.34 2.01 -0.70 -1.18 115.64 124.07 1xoi s THR 375 Ca -0.13 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 61.40 1xoi s THR 375 Cb -0.16 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1xoi s THR 375 CO 0.07 0.41 0.37 0.21 -0.69 0.00 0.00 174.62 174.99 1xoi s ASN 376 N 1.21 6.47 -0.01 3.53 3.84 0.43 -1.57 114.94 128.84 1xoi s ASN 376 Ca 0.03 0.56 0.01 0.00 0.21 0.00 0.00 52.86 53.67 1xoi s ASN 376 Cb -0.15 -2.22 0.02 0.00 -0.55 0.00 0.00 41.25 38.35 1xoi s ASN 376 CO 0.01 -0.00 0.93 1.41 -2.79 0.00 0.00 177.10 176.66 1xoi n HIS 377 N 4.04 0.00 -4.29 0.43 8.25 -1.26 -4.03 115.22 118.35 1xoi n HIS 377 Ca -0.09 -0.45 -0.27 0.00 -0.26 0.00 0.00 57.72 56.64 1xoi n HIS 377 Cb 0.51 -0.05 -0.09 0.00 1.12 0.00 0.00 29.99 31.48 1xoi n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1xoi s THR 378 N -0.96 3.18 0.14 1.59 -1.32 -1.26 -4.77 115.64 112.24 1xoi s THR 378 Ca 0.02 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 1xoi s THR 378 Cb 0.02 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 1xoi s THR 378 CO 0.00 -0.09 0.00 0.52 -2.21 0.00 0.00 174.62 172.84 1xoi n VAL 379 N 0.11 0.93 -1.75 5.08 0.31 -1.26 -5.03 118.33 116.73 1xoi n VAL 379 Ca -0.11 0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 64.11 1xoi n VAL 379 Cb 0.55 -1.33 -0.01 0.00 -0.91 0.00 0.00 33.84 32.14 1xoi n VAL 379 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xoi n LEU 380 N -3.48 4.33 -0.22 7.52 4.77 -1.26 -4.90 117.00 123.76 1xoi n LEU 380 Ca 0.00 1.18 0.14 0.00 -0.03 0.00 0.00 56.01 57.30 1xoi n LEU 380 Cb 0.00 -1.58 0.45 0.00 -2.33 0.00 0.00 43.42 39.96 1xoi n LEU 380 CO 0.00 0.04 1.22 -0.65 -1.33 0.00 0.00 177.39 176.67 1xoi h PRO 381 N 3.87 0.53 0.00 3.23 0.11 -1.98 -0.52 132.00 137.24 1xoi h PRO 381 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xoi h PRO 381 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xoi h PRO 381 CO 0.72 0.35 0.00 0.39 -0.21 0.00 0.00 178.00 179.25 1xoi n GLU 382 N -4.52 0.18 0.10 1.05 4.71 -1.26 -2.88 120.64 118.02 1xoi n GLU 382 Ca 0.16 0.38 0.08 0.00 -0.01 0.00 0.00 57.16 57.77 1xoi n GLU 382 Cb 0.52 -1.82 -0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1xoi n GLU 382 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xoi h ALA 383 N 2.32 0.61 -2.67 0.62 0.00 -1.25 0.10 119.26 119.01 1xoi h ALA 383 Ca 0.00 -0.28 -0.52 0.00 0.00 0.00 0.00 54.91 54.11 1xoi h ALA 383 Cb 0.39 0.07 0.06 0.00 0.00 0.00 0.00 17.79 18.31 1xoi h ALA 383 CO 0.00 0.31 0.99 -0.51 0.00 0.00 0.00 179.25 180.04 1xoi s LEU 384 N -5.66 4.37 -0.21 0.00 1.43 -1.14 -4.03 118.68 113.44 1xoi s LEU 384 Ca -0.00 2.85 -0.27 0.00 -1.03 0.00 0.00 54.13 55.68 1xoi s LEU 384 Cb 0.09 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1xoi s LEU 384 CO 0.78 -0.95 0.95 -1.61 0.23 0.00 0.00 176.35 175.75 1xoi s GLU 385 N 1.03 4.26 -0.34 1.70 2.02 -1.26 -4.73 118.70 121.37 1xoi s GLU 385 Ca 0.73 1.20 -0.00 0.00 0.02 0.00 0.00 54.97 56.92 1xoi s GLU 385 Cb -0.49 -3.62 0.14 0.00 0.10 0.00 0.00 34.13 30.26 1xoi s GLU 385 CO 0.33 -0.52 0.24 1.03 0.02 0.00 0.00 175.26 176.36 1xoi s ARG 386 N 2.82 0.49 0.07 1.61 0.52 -1.26 -2.81 118.95 120.39 1xoi s ARG 386 Ca 0.41 -1.00 -0.29 0.00 -0.52 0.00 0.00 55.73 54.33 1xoi s ARG 386 Cb -0.16 -1.10 -0.05 0.00 0.52 0.00 0.00 34.95 34.16 1xoi s ARG 386 CO 0.09 -1.16 0.92 -1.58 0.02 0.00 0.00 175.30 173.58 1xoi s TRP 387 N 1.42 3.76 0.29 -0.53 0.52 -1.15 -4.70 118.94 118.55 1xoi s TRP 387 Ca 0.16 1.69 -0.29 0.00 0.02 0.00 0.00 56.10 57.68 1xoi s TRP 387 Cb -0.19 -3.01 -0.10 0.00 -1.15 0.00 0.00 33.47 29.02 1xoi s TRP 387 CO -0.09 0.17 1.33 -1.25 0.02 0.00 0.00 176.95 177.14 1xoi s PRO 388 N 0.21 4.35 0.22 4.98 0.04 -1.26 -0.41 135.00 143.12 1xoi s PRO 388 Ca 0.46 2.20 -0.08 0.00 0.04 0.00 0.00 61.00 63.62 1xoi s PRO 388 Cb -0.22 -3.10 0.28 0.00 0.04 0.00 0.00 34.50 31.50 1xoi s PRO 388 CO 0.28 -0.24 1.80 -0.39 0.04 0.00 0.00 177.00 178.49 1xoi h VAL 389 N 3.25 0.93 -0.71 -0.36 -1.51 -1.53 -2.55 116.25 113.77 1xoi h VAL 389 Ca -0.48 -0.23 0.15 0.00 -1.23 0.00 0.00 66.70 64.91 1xoi h VAL 389 Cb 1.22 0.19 -0.10 0.00 -2.13 0.00 0.00 31.29 30.47 1xoi h VAL 389 CO 0.70 0.12 0.19 0.44 -1.23 0.00 0.00 177.57 177.79 1xoi h ASP 390 N 0.67 0.07 0.23 4.19 5.19 -1.91 0.47 116.42 125.33 1xoi h ASP 390 Ca 0.32 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.85 1xoi h ASP 390 Cb 0.26 0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1xoi h ASP 390 CO -0.21 0.00 -0.11 0.25 -3.12 0.00 0.00 179.24 176.05 1xoi h LEU 391 N 0.30 -0.26 -1.41 1.55 5.85 -1.85 -1.90 115.31 117.59 1xoi h LEU 391 Ca 0.39 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1xoi h LEU 391 Cb 0.64 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1xoi h LEU 391 CO -0.46 -0.11 0.38 0.58 -0.34 0.00 0.00 178.44 178.49 1xoi h VAL 392 N -0.40 1.15 -0.80 1.05 2.07 -1.07 -1.30 116.25 116.96 1xoi h VAL 392 Ca -0.03 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1xoi h VAL 392 Cb 0.30 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1xoi h VAL 392 CO 0.05 0.15 0.36 -0.08 0.02 0.00 0.00 177.57 178.08 1xoi h GLU 393 N 0.79 1.16 -0.19 1.57 4.81 0.17 0.56 114.58 123.45 1xoi h GLU 393 Ca 0.21 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1xoi h GLU 393 Cb -0.08 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.10 1xoi h GLU 393 CO -0.04 0.91 -0.31 -0.22 -0.73 0.00 0.00 179.01 178.62 1xoi h LYS 394 N 1.14 0.54 0.16 1.92 3.64 -0.62 -2.89 116.57 120.45 1xoi h LYS 394 Ca 0.27 -0.33 -0.31 0.00 -1.27 0.00 0.00 60.65 59.02 1xoi h LYS 394 Cb 0.15 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1xoi h LYS 394 CO -0.03 0.93 -1.52 1.25 -2.27 0.00 0.00 179.45 177.81 1xoi h LEU 395 N 0.20 0.54 -5.75 5.20 5.85 -1.17 -3.37 115.31 116.80 1xoi h LEU 395 Ca 0.01 -0.91 -0.54 0.00 0.84 0.00 0.00 57.88 57.29 1xoi h LEU 395 Cb 0.89 -0.17 -0.41 0.00 0.37 0.00 0.00 40.66 41.34 1xoi h LEU 395 CO 0.07 1.69 -0.94 0.18 -0.34 0.00 0.00 178.44 179.09 1xoi n LEU 396 N -3.78 2.33 -0.25 2.25 4.77 0.19 -0.06 117.00 122.46 1xoi n LEU 396 Ca -0.23 -5.26 0.06 0.00 -0.03 0.00 0.00 56.01 50.54 1xoi n LEU 396 Cb 0.99 0.15 0.18 0.00 -2.33 0.00 0.00 43.42 42.40 1xoi n LEU 396 CO 0.48 2.28 0.90 1.55 -1.33 0.00 0.00 177.39 181.27 1xoi h PRO 397 N 3.16 0.20 -0.26 3.23 0.13 -1.47 -0.59 132.00 136.40 1xoi h PRO 397 Ca 0.12 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1xoi h PRO 397 Cb 0.77 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1xoi h PRO 397 CO 0.64 0.13 -0.08 -0.09 -0.23 0.00 0.00 178.00 178.37 1xoi h ARG 398 N 0.20 0.41 -0.05 0.86 9.65 -1.90 -2.51 114.38 121.04 1xoi h ARG 398 Ca 0.42 -0.10 -0.15 0.00 -1.10 0.00 0.00 59.98 59.05 1xoi h ARG 398 Cb 0.73 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1xoi h ARG 398 CO -0.56 0.50 -0.64 0.45 2.80 0.00 0.00 179.97 182.52 1xoi h HIS 399 N 0.39 0.28 -0.66 2.20 3.86 -1.50 -2.30 115.15 117.42 1xoi h HIS 399 Ca 0.08 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 1xoi h HIS 399 Cb 0.39 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 1xoi h HIS 399 CO 0.01 0.79 0.09 1.25 0.86 0.00 0.00 177.93 180.93 1xoi h LEU 400 N 0.15 1.07 -0.08 2.43 5.85 -0.94 0.59 115.31 124.38 1xoi h LEU 400 Ca -0.01 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1xoi h LEU 400 Cb 1.16 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1xoi h LEU 400 CO 0.10 1.07 0.04 -0.33 -0.34 0.00 0.00 178.44 178.98 1xoi h GLU 401 N 1.03 0.12 -0.24 1.25 5.08 -1.34 0.00 114.58 120.48 1xoi h GLU 401 Ca 0.20 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1xoi h GLU 401 Cb 0.47 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1xoi h GLU 401 CO 0.02 0.17 0.05 0.82 -1.00 0.00 0.00 179.01 179.06 1xoi h ILE 402 N 0.04 1.13 -0.21 3.13 2.04 -1.14 -1.11 117.51 121.39 1xoi h ILE 402 Ca 0.03 -0.45 -0.20 0.00 1.00 0.00 0.00 64.86 65.24 1xoi h ILE 402 Cb 0.09 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1xoi h ILE 402 CO -0.00 0.16 -0.66 0.40 0.00 0.00 0.00 178.15 178.05 1xoi h ILE 403 N 0.34 1.29 -0.63 -0.67 2.04 -0.41 -1.88 117.51 117.59 1xoi h ILE 403 Ca 0.08 -1.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.01 1xoi h ILE 403 Cb 0.15 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1xoi h ILE 403 CO -0.00 0.60 0.13 1.88 0.00 0.00 0.00 178.15 180.75 1xoi h TYR 404 N 0.56 1.05 -0.46 1.37 0.05 -0.37 -1.42 116.97 117.75 1xoi h TYR 404 Ca -0.02 -0.12 -0.10 0.00 0.05 0.00 0.00 58.73 58.54 1xoi h TYR 404 Cb 1.26 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 1xoi h TYR 404 CO 0.07 0.87 -0.12 1.49 -1.05 0.00 0.00 178.16 179.43 1xoi h GLU 405 N 0.95 0.89 -0.46 4.88 4.57 -1.14 0.17 114.58 124.44 1xoi h GLU 405 Ca 0.20 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1xoi h GLU 405 Cb 0.37 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1xoi h GLU 405 CO 0.00 0.99 0.27 0.82 -1.18 0.00 0.00 179.01 179.91 1xoi h ILE 406 N 0.73 1.15 -0.27 2.32 2.04 -1.16 -1.18 117.51 121.14 1xoi h ILE 406 Ca 0.11 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1xoi h ILE 406 Cb 0.67 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1xoi h ILE 406 CO 0.05 0.15 0.08 -1.13 0.00 0.00 0.00 178.15 177.30 1xoi h ASN 407 N 0.60 0.40 -0.11 1.72 -1.24 -1.03 0.12 115.58 116.05 1xoi h ASN 407 Ca 0.16 -0.21 0.04 0.00 0.71 0.00 0.00 56.30 57.00 1xoi h ASN 407 Cb 0.01 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 1xoi h ASN 407 CO -0.03 0.51 -0.15 -0.61 -1.29 0.00 0.00 177.43 175.85 1xoi h GLN 408 N 0.27 -0.19 -0.25 6.67 5.75 -0.38 0.42 115.11 127.39 1xoi h GLN 408 Ca 0.09 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1xoi h GLN 408 Cb 0.26 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1xoi h GLN 408 CO -0.00 -0.13 -0.06 0.87 -2.65 0.00 0.00 178.83 176.86 1xoi h LYS 409 N -0.20 0.38 0.38 1.69 1.79 -1.16 -0.41 116.57 119.04 1xoi h LYS 409 Ca 0.09 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1xoi h LYS 409 Cb 0.33 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1xoi h LYS 409 CO -0.23 0.46 -0.18 1.25 -1.08 0.00 0.00 179.45 179.66 1xoi h HIS 410 N 0.37 -0.48 -0.48 -1.35 2.76 0.68 -3.14 115.15 113.52 1xoi h HIS 410 Ca 0.08 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1xoi h HIS 410 Cb 0.34 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1xoi h HIS 410 CO 0.01 -0.20 0.08 -0.07 -1.30 0.00 0.00 177.93 176.45 1xoi h LEU 411 N -0.70 0.75 -0.70 0.26 3.38 -0.06 -3.03 115.31 115.22 1xoi h LEU 411 Ca -0.05 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 57.80 1xoi h LEU 411 Cb 0.49 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 40.91 1xoi h LEU 411 CO 0.09 0.82 -0.17 0.44 0.09 0.00 0.00 178.44 179.70 1xoi h ASP 412 N 0.66 -0.65 -0.28 -0.43 3.32 -1.12 0.28 116.42 118.20 1xoi h ASP 412 Ca 0.14 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 1xoi h ASP 412 Cb 0.39 0.43 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1xoi h ASP 412 CO 0.01 -0.23 0.16 0.03 -1.72 0.00 0.00 179.24 177.49 1xoi h ARG 413 N 0.00 0.38 -0.56 3.56 2.47 -1.48 0.18 114.38 118.94 1xoi h ARG 413 Ca 0.33 -0.04 0.08 0.00 -1.26 0.00 0.00 59.98 59.10 1xoi h ARG 413 Cb 0.51 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.68 1xoi h ARG 413 CO -0.72 0.31 0.21 0.82 0.56 0.00 0.00 179.97 181.15 1xoi h ILE 414 N 0.35 0.80 -0.90 2.04 2.04 -1.11 0.50 117.51 121.24 1xoi h ILE 414 Ca 0.10 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1xoi h ILE 414 Cb 0.03 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1xoi h ILE 414 CO -0.02 0.07 0.58 0.58 0.00 0.00 0.00 178.15 179.36 1xoi h VAL 415 N 0.39 1.14 -0.74 1.67 2.07 -0.43 1.36 116.25 121.71 1xoi h VAL 415 Ca 0.27 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1xoi h VAL 415 Cb 0.31 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1xoi h VAL 415 CO -0.28 0.20 0.41 0.00 0.02 0.00 0.00 177.57 177.93 1xoi h ALA 416 N 1.37 1.33 0.00 1.67 0.00 0.26 -2.37 119.26 121.53 1xoi h ALA 416 Ca 0.36 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1xoi h ALA 416 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1xoi h ALA 416 CO -0.12 0.55 -1.26 -0.07 0.00 0.00 0.00 179.25 178.35 1xoi h LEU 417 N 1.03 0.00 -6.10 0.00 3.38 0.13 -3.41 115.31 110.34 1xoi h LEU 417 Ca 0.26 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.66 1xoi h LEU 417 Cb 0.01 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.36 1xoi h LEU 417 CO -0.04 0.64 -0.92 0.49 0.09 0.00 0.00 178.44 178.69 1xoi n PHE 418 N -3.00 1.01 -0.34 1.13 3.01 0.45 -4.96 117.46 114.76 1xoi n PHE 418 Ca -0.08 -3.76 0.18 0.00 1.01 0.00 0.00 57.45 54.80 1xoi n PHE 418 Cb 0.85 -0.40 0.40 0.00 -0.01 0.00 0.00 39.48 40.32 1xoi n PHE 418 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1xoi h PRO 419 N 4.16 0.56 -0.93 -1.08 0.11 -1.65 -2.58 132.00 130.59 1xoi h PRO 419 Ca 0.12 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.58 1xoi h PRO 419 Cb 0.81 -0.13 -0.31 0.00 0.11 0.00 0.00 31.00 31.48 1xoi h PRO 419 CO 0.59 0.37 0.53 1.63 -0.21 0.00 0.00 178.00 180.91 1xoi n LYS 420 N -4.80 2.76 -3.34 1.05 4.01 -1.26 -4.72 118.16 111.85 1xoi n LYS 420 Ca 0.26 -3.40 -0.26 0.00 -0.51 0.00 0.00 58.31 54.40 1xoi n LYS 420 Cb 0.74 -2.26 -0.09 0.00 -0.51 0.00 0.00 35.03 32.92 1xoi n LYS 420 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1xoi n ASP 421 N -0.92 0.52 0.09 4.39 4.64 -0.97 -4.98 116.55 119.32 1xoi n ASP 421 Ca 0.58 -2.69 -0.12 0.00 -1.38 0.00 0.00 54.79 51.18 1xoi n ASP 421 Cb 0.83 -0.62 -0.06 0.00 -1.04 0.00 0.00 41.12 40.23 1xoi n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1xoi h VAL 422 N 3.26 0.70 -0.29 5.18 -1.51 -1.84 -2.44 116.25 119.30 1xoi h VAL 422 Ca 0.16 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.72 1xoi h VAL 422 Cb 0.86 0.70 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 1xoi h VAL 422 CO 0.49 0.00 0.27 -0.78 -1.23 0.00 0.00 177.57 176.32 1xoi h ASP 423 N -0.27 0.00 -0.37 4.19 1.82 -1.99 0.18 116.42 119.97 1xoi h ASP 423 Ca 0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1xoi h ASP 423 Cb 0.28 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1xoi h ASP 423 CO -0.06 0.00 0.17 -0.09 -1.61 0.00 0.00 179.24 177.65 1xoi h ARG 424 N 0.00 0.60 -0.26 0.28 2.43 -1.86 -1.75 114.38 113.81 1xoi h ARG 424 Ca 0.14 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1xoi h ARG 424 Cb 0.69 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1xoi h ARG 424 CO -0.00 0.49 0.11 -0.07 -1.51 0.00 0.00 179.97 179.00 1xoi h LEU 425 N 0.59 0.35 -1.40 3.80 3.38 -0.69 -1.20 115.31 120.15 1xoi h LEU 425 Ca 0.15 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xoi h LEU 425 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xoi h LEU 425 CO -0.02 0.40 -0.29 0.08 0.09 0.00 0.00 178.44 178.71 1xoi h ARG 426 N 0.28 0.00 -0.12 1.13 -0.00 -1.47 -1.54 114.38 112.65 1xoi h ARG 426 Ca 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.89 1xoi h ARG 426 Cb 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.12 1xoi h ARG 426 CO -0.01 0.29 -0.66 0.00 -0.00 0.00 0.00 179.97 179.59 1xoi h ARG 427 N 0.00 0.49 -0.01 0.08 3.08 -0.89 -3.31 114.38 113.82 1xoi h ARG 427 Ca -0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1xoi h ARG 427 Cb 0.59 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1xoi h ARG 427 CO 0.04 0.98 -0.57 -1.33 -1.07 0.00 0.00 179.97 178.02 1xoi n MET 428 N -3.90 0.90 -1.40 0.04 2.81 -0.49 -4.98 117.12 110.10 1xoi n MET 428 Ca -0.04 -0.73 -0.34 0.00 -1.81 0.00 0.00 57.70 54.78 1xoi n MET 428 Cb 0.67 -1.48 0.09 0.00 -0.71 0.00 0.00 33.22 31.78 1xoi n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xoi s SER 429 N -2.60 4.22 0.00 7.83 0.15 -0.60 -4.90 113.70 117.80 1xoi s SER 429 Ca 0.17 2.27 0.27 0.00 0.70 0.00 0.00 55.95 59.35 1xoi s SER 429 Cb 0.18 -2.58 0.84 0.00 -1.71 0.00 0.00 66.02 62.75 1xoi s SER 429 CO 0.63 -2.24 1.65 0.18 1.20 0.00 0.00 173.24 174.66 1xoi n LEU 430 N -2.85 0.28 -4.41 3.45 4.77 -1.26 -4.79 117.00 112.19 1xoi n LEU 430 Ca 0.13 0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 56.00 1xoi n LEU 430 Cb 0.51 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 1xoi n LEU 430 CO 0.48 0.07 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.53 1xoi s ILE 431 N -2.99 3.03 -0.44 -0.08 -1.09 -1.26 0.64 121.20 119.00 1xoi s ILE 431 Ca 0.13 -0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 57.74 1xoi s ILE 431 Cb 0.18 -2.24 0.08 0.00 -1.58 0.00 0.00 42.46 38.90 1xoi s ILE 431 CO 0.62 0.55 0.31 -1.61 -1.23 0.00 0.00 174.94 173.58 1xoi s GLU 432 N -0.04 2.70 0.16 2.79 2.02 0.82 -4.95 118.70 122.20 1xoi s GLU 432 Ca -0.03 -1.47 0.06 0.00 0.02 0.00 0.00 54.97 53.55 1xoi s GLU 432 Cb -0.14 -3.90 -0.05 0.00 0.10 0.00 0.00 34.13 30.14 1xoi s GLU 432 CO 0.04 -1.01 1.36 0.93 0.02 0.00 0.00 175.26 176.61 1xoi h GLU 433 N 8.52 0.05 -5.24 1.61 3.07 -1.86 -1.71 114.58 119.02 1xoi h GLU 433 Ca -0.24 -0.07 -0.67 0.00 -0.50 0.00 0.00 59.36 57.88 1xoi h GLU 433 Cb 1.09 0.02 0.05 0.00 -0.84 0.00 0.00 28.75 29.07 1xoi h GLU 433 CO 0.81 0.92 -0.04 0.39 -1.40 0.00 0.00 179.01 179.68 1xoi n GLU 434 N -3.52 0.00 0.00 2.33 4.71 -1.26 -4.34 120.64 118.56 1xoi n GLU 434 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1xoi n GLU 434 Cb 0.85 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 30.05 1xoi n GLU 434 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xoi n GLY 435 N 1.39 0.75 3.52 0.62 0.00 -1.26 -4.23 105.19 105.98 1xoi n GLY 435 Ca 0.17 -0.41 -0.60 0.00 0.00 0.00 0.00 46.02 45.18 1xoi n GLY 435 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xoi n SER 436 N -2.79 0.10 -4.75 1.61 7.64 -1.26 -4.85 113.62 109.31 1xoi n SER 436 Ca 0.00 1.16 -0.40 0.00 1.01 0.00 0.00 58.87 60.64 1xoi n SER 436 Cb 0.00 -0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 62.23 1xoi n SER 436 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xoi s LYS 437 N 0.24 4.57 0.07 1.43 1.02 -1.26 -4.78 119.74 121.03 1xoi s LYS 437 Ca 0.92 1.18 0.01 0.00 0.02 0.00 0.00 55.97 58.10 1xoi s LYS 437 Cb -1.28 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 32.66 1xoi s LYS 437 CO 0.59 0.38 -0.06 1.03 -0.92 0.00 0.00 175.35 176.37 1xoi s ARG 438 N -0.47 0.70 -0.23 1.68 0.52 -0.64 -1.30 118.95 119.20 1xoi s ARG 438 Ca 0.39 -1.15 -0.10 0.00 -0.52 0.00 0.00 55.73 54.35 1xoi s ARG 438 Cb -0.22 -0.13 -0.05 0.00 0.52 0.00 0.00 34.95 35.07 1xoi s ARG 438 CO 0.26 -0.02 0.15 0.42 0.02 0.00 0.00 175.30 176.12 1xoi s ILE 439 N -3.08 5.32 -0.68 1.52 1.01 0.45 -0.13 121.20 125.62 1xoi s ILE 439 Ca 0.05 0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 1xoi s ILE 439 Cb 0.02 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 39.07 1xoi s ILE 439 CO -0.04 0.36 1.09 0.21 0.00 0.00 0.00 174.94 176.56 1xoi s ASN 440 N 0.95 6.18 0.39 3.58 3.84 0.21 -2.93 114.94 127.16 1xoi s ASN 440 Ca 0.07 -0.72 0.09 0.00 0.21 0.00 0.00 52.86 52.51 1xoi s ASN 440 Cb -0.13 -2.48 0.81 0.00 -0.55 0.00 0.00 41.25 38.90 1xoi s ASN 440 CO 0.03 -1.58 1.96 0.24 -2.79 0.00 0.00 177.10 174.96 1xoi h MET 441 N 9.73 0.34 -0.58 0.43 2.86 -1.81 -2.31 114.93 123.58 1xoi h MET 441 Ca -0.28 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.23 1xoi h MET 441 Cb 1.06 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1xoi h MET 441 CO 1.21 0.37 0.10 0.00 1.06 0.00 0.00 176.91 179.65 1xoi h ALA 442 N 1.67 0.77 -0.70 6.32 0.00 -1.90 -0.79 119.26 124.63 1xoi h ALA 442 Ca 0.08 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xoi h ALA 442 Cb 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1xoi h ALA 442 CO 0.01 0.52 0.46 0.45 0.00 0.00 0.00 179.25 180.69 1xoi h HIS 443 N 0.86 0.88 -0.57 0.00 3.86 -1.80 0.20 115.15 118.58 1xoi h HIS 443 Ca 0.18 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1xoi h HIS 443 Cb 0.42 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1xoi h HIS 443 CO 0.03 0.56 0.38 1.25 0.86 0.00 0.00 177.93 181.01 1xoi h LEU 444 N 0.95 0.66 -0.85 2.43 5.85 -1.08 -1.90 115.31 121.38 1xoi h LEU 444 Ca 0.26 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 1xoi h LEU 444 Cb -0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1xoi h LEU 444 CO -0.05 0.49 0.24 0.00 -0.34 0.00 0.00 178.44 178.77 1xoi h ILE 446 N 1.05 1.24 0.00 0.00 2.04 -0.54 -2.15 117.51 119.15 1xoi h ILE 446 Ca 0.23 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1xoi h ILE 446 Cb 0.27 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1xoi h ILE 446 CO -0.01 0.31 0.00 -0.37 0.00 0.00 0.00 178.15 178.07 1xoi h VAL 447 N 0.55 0.00 -0.02 1.67 -1.51 -1.26 -3.17 116.25 112.52 1xoi h VAL 447 Ca 0.13 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1xoi h VAL 447 Cb 0.38 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1xoi h VAL 447 CO 0.01 0.00 -0.37 0.61 -1.23 0.00 0.00 177.57 176.59 1xoi n GLY 448 N 0.75 0.11 3.52 5.19 0.00 -0.77 -4.93 105.19 109.06 1xoi n GLY 448 Ca 0.03 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1xoi n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xoi s SER 449 N -2.40 4.01 0.00 1.61 0.01 -0.82 -3.63 113.70 112.47 1xoi s SER 449 Ca 0.21 -0.60 0.26 0.00 1.31 0.00 0.00 55.95 57.13 1xoi s SER 449 Cb 0.19 -0.59 0.64 0.00 0.21 0.00 0.00 66.02 66.46 1xoi s SER 449 CO 0.52 0.14 1.50 0.00 0.41 0.00 0.00 173.24 175.80 1xoi n HIS 450 N 0.39 0.00 -3.74 2.43 1.44 -0.57 -4.86 115.22 110.32 1xoi n HIS 450 Ca -0.13 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.46 1xoi n HIS 450 Cb 0.54 -0.13 -0.11 0.00 0.12 0.00 0.00 29.99 30.41 1xoi n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xoi s ALA 451 N -2.59 -0.87 -0.07 1.59 0.00 -1.26 -4.74 121.76 113.83 1xoi s ALA 451 Ca 0.21 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1xoi s ALA 451 Cb 0.19 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1xoi s ALA 451 CO 0.56 -0.19 -0.04 0.08 0.00 0.00 0.00 175.76 176.17 1xoi s VAL 452 N 0.49 0.64 0.08 0.00 1.01 -0.88 -0.46 120.40 121.28 1xoi s VAL 452 Ca -0.03 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1xoi s VAL 452 Cb -0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1xoi s VAL 452 CO -0.03 0.28 -0.13 0.54 0.00 0.00 0.00 175.10 175.76 1xoi s ASN 453 N 1.38 1.62 0.66 3.32 4.22 -0.33 -0.60 114.94 125.22 1xoi s ASN 453 Ca -0.03 -0.65 0.05 0.00 -2.14 0.00 0.00 52.86 50.10 1xoi s ASN 453 Cb -0.13 -0.04 0.12 0.00 1.28 0.00 0.00 41.25 42.48 1xoi s ASN 453 CO -0.03 -0.11 0.91 -0.83 -2.04 0.00 0.00 177.10 175.01 1xoi s GLY 454 N -1.85 1.72 -0.10 0.45 0.00 -0.97 -0.42 107.32 106.14 1xoi s GLY 454 Ca -0.01 -2.07 0.13 0.00 0.00 0.00 0.00 44.72 42.77 1xoi s GLY 454 CO 0.02 -1.51 1.27 3.33 0.00 0.00 0.00 173.10 176.21 1xoi n VAL 455 N -2.56 1.68 -3.64 1.40 0.24 -1.26 -2.41 118.33 111.79 1xoi n VAL 455 Ca 0.17 -1.59 -0.07 0.00 -2.04 0.00 0.00 64.34 60.81 1xoi n VAL 455 Cb 0.61 0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.98 1xoi n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xoi s ALA 456 N -2.08 -2.06 0.23 2.33 0.00 -1.26 -1.69 121.76 117.23 1xoi s ALA 456 Ca 0.29 1.79 -0.15 0.00 0.00 0.00 0.00 51.96 53.88 1xoi s ALA 456 Cb 0.22 -1.50 0.26 0.00 0.00 0.00 0.00 23.12 22.10 1xoi s ALA 456 CO 0.08 -0.20 1.58 0.87 0.00 0.00 0.00 175.76 178.10 1xoi h LYS 457 N 3.61 -0.05 -0.60 0.00 1.57 -1.91 0.66 116.57 119.85 1xoi h LYS 457 Ca -0.26 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1xoi h LYS 457 Cb 1.18 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 1xoi h LYS 457 CO 0.15 -0.03 0.37 0.97 -0.57 0.00 0.00 179.45 180.34 1xoi h ILE 458 N -0.05 1.17 0.04 1.86 2.10 -1.91 -1.67 117.51 119.05 1xoi h ILE 458 Ca 0.34 -0.35 -0.16 0.00 1.08 0.00 0.00 64.86 65.76 1xoi h ILE 458 Cb 0.59 0.31 0.02 0.00 -1.09 0.00 0.00 36.82 36.65 1xoi h ILE 458 CO -0.85 0.17 -0.66 -0.74 -1.08 0.00 0.00 178.15 175.00 1xoi h HIS 459 N 0.82 0.58 -0.23 2.19 2.76 -0.91 -2.93 115.15 117.44 1xoi h HIS 459 Ca 0.22 -0.35 -0.04 0.00 -2.20 0.00 0.00 60.37 58.00 1xoi h HIS 459 Cb -0.05 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 1xoi h HIS 459 CO 0.00 1.19 -0.04 0.77 -1.30 0.00 0.00 177.93 178.55 1xoi h SER 460 N -0.20 0.32 -0.30 3.26 0.02 0.32 -1.33 113.55 115.64 1xoi h SER 460 Ca -0.09 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 1xoi h SER 460 Cb 1.41 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1xoi h SER 460 CO 0.13 0.41 -0.15 -0.78 -1.14 0.00 0.00 176.83 175.30 1xoi h ASP 461 N 0.33 0.66 -0.64 3.07 3.58 -1.36 -1.37 116.42 120.69 1xoi h ASP 461 Ca 0.07 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.08 1xoi h ASP 461 Cb 0.30 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1xoi h ASP 461 CO 0.01 0.92 0.28 0.40 -2.88 0.00 0.00 179.24 177.98 1xoi h ILE 462 N 0.39 1.23 -0.46 2.25 2.04 -1.26 0.72 117.51 122.42 1xoi h ILE 462 Ca 0.07 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1xoi h ILE 462 Cb 0.67 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1xoi h ILE 462 CO 0.05 0.27 0.20 0.58 0.00 0.00 0.00 178.15 179.25 1xoi h VAL 463 N 0.89 1.20 -0.01 1.67 2.07 -1.18 -0.59 116.25 120.29 1xoi h VAL 463 Ca 0.22 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1xoi h VAL 463 Cb 0.16 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1xoi h VAL 463 CO -0.02 0.22 -0.22 0.50 0.02 0.00 0.00 177.57 178.07 1xoi h LYS 464 N 0.60 0.17 0.00 1.57 3.64 -1.05 0.03 116.57 121.53 1xoi h LYS 464 Ca 0.15 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xoi h LYS 464 Cb 0.16 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1xoi h LYS 464 CO -0.02 0.89 -0.96 0.25 -2.27 0.00 0.00 179.45 177.34 1xoi n THR 465 N -4.53 0.53 0.00 1.00 -2.24 0.23 -3.36 114.28 105.91 1xoi n THR 465 Ca -0.09 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1xoi n THR 465 Cb 0.48 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1xoi n THR 465 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xoi n LYS 466 N -2.52 0.00 -0.26 -0.78 5.02 -0.35 -4.45 118.16 114.83 1xoi n LYS 466 Ca 0.01 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.36 1xoi n LYS 466 Cb 0.52 -0.05 0.19 0.00 -0.02 0.00 0.00 35.03 35.67 1xoi n LYS 466 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xoi h VAL 467 N 0.00 0.43 -0.51 -0.18 2.07 -1.34 -2.68 116.25 114.04 1xoi h VAL 467 Ca 0.00 -0.07 -0.37 0.00 0.82 0.00 0.00 66.70 67.08 1xoi h VAL 467 Cb 0.00 0.21 -0.30 0.00 -1.52 0.00 0.00 31.29 29.68 1xoi h VAL 467 CO 0.00 0.04 -0.73 0.49 0.02 0.00 0.00 177.57 177.39 1xoi n PHE 468 N -5.23 1.85 -0.17 1.57 0.99 -0.00 -4.82 117.46 111.66 1xoi n PHE 468 Ca 0.15 -1.98 -0.02 0.00 -0.00 0.00 0.00 57.45 55.60 1xoi n PHE 468 Cb 0.49 -0.31 0.07 0.00 -1.00 0.00 0.00 39.48 38.73 1xoi n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1xoi h LYS 469 N 1.82 0.14 -0.57 -1.08 3.64 -1.48 -0.55 116.57 118.48 1xoi h LYS 469 Ca 0.24 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.74 1xoi h LYS 469 Cb 1.37 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 1xoi h LYS 469 CO 0.51 0.09 0.39 -0.44 -2.27 0.00 0.00 179.45 177.73 1xoi h ASP 470 N 0.14 0.19 0.10 4.20 3.32 -1.87 -1.91 116.42 120.59 1xoi h ASP 470 Ca 0.26 0.01 -0.24 0.00 0.02 0.00 0.00 57.03 57.08 1xoi h ASP 470 Cb 0.39 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1xoi h ASP 470 CO -0.41 0.11 -1.20 -0.26 -1.72 0.00 0.00 179.24 175.75 1xoi h PHE 471 N 0.21 0.38 -0.58 4.55 -1.00 -1.52 -3.33 116.94 115.64 1xoi h PHE 471 Ca 0.27 -0.28 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1xoi h PHE 471 Cb 0.79 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.31 1xoi h PHE 471 CO -0.00 1.47 0.24 0.66 -1.61 0.00 0.00 178.31 179.06 1xoi h SER 472 N -0.44 0.77 -0.54 2.17 4.64 -0.97 0.23 113.55 119.41 1xoi h SER 472 Ca -0.26 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1xoi h SER 472 Cb 1.64 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.50 1xoi h SER 472 CO 0.04 0.69 0.33 -0.33 -0.87 0.00 0.00 176.83 176.69 1xoi h GLU 473 N 0.83 0.72 -0.29 4.77 5.08 -1.52 0.52 114.58 124.70 1xoi h GLU 473 Ca 0.20 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 1xoi h GLU 473 Cb 0.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1xoi h GLU 473 CO -0.02 0.51 -0.43 1.25 -1.00 0.00 0.00 179.01 179.32 1xoi h LEU 474 N 0.72 0.77 -6.25 1.33 6.46 -1.55 -3.36 115.31 113.44 1xoi h LEU 474 Ca 0.19 -0.36 -0.59 0.00 -0.12 0.00 0.00 57.88 57.00 1xoi h LEU 474 Cb -0.03 -0.22 -0.40 0.00 -0.73 0.00 0.00 40.66 39.28 1xoi h LEU 474 CO -0.04 1.10 -0.84 -0.62 -0.62 0.00 0.00 178.44 177.42 1xoi n GLU 475 N -4.02 1.44 0.00 1.25 1.02 0.76 -5.00 120.64 116.09 1xoi n GLU 475 Ca -0.02 -3.90 0.00 0.00 -0.02 0.00 0.00 57.16 53.22 1xoi n GLU 475 Cb 0.55 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1xoi n GLU 475 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1xoi n PRO 476 N 1.45 0.00 0.00 3.49 -0.02 0.18 -1.96 135.00 138.14 1xoi n PRO 476 Ca 0.25 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1xoi n PRO 476 Cb 0.46 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1xoi n PRO 476 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xoi n ASP 477 N -2.24 0.00 -0.03 2.55 8.00 -1.26 -2.08 116.55 121.49 1xoi n ASP 477 Ca 0.00 0.15 -0.16 0.00 0.71 0.00 0.00 54.79 55.49 1xoi n ASP 477 Cb 0.00 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 1xoi n ASP 477 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1xoi h LYS 478 N 0.00 0.58 -6.67 -1.24 3.64 -1.68 -3.45 116.57 107.75 1xoi h LYS 478 Ca 0.00 -0.48 -0.50 0.00 -1.27 0.00 0.00 60.65 58.40 1xoi h LYS 478 Cb 0.60 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1xoi h LYS 478 CO 0.00 1.10 0.36 -0.06 -2.27 0.00 0.00 179.45 178.57 1xoi s PHE 479 N -3.69 3.91 0.28 1.91 0.40 -0.88 -2.07 117.98 117.83 1xoi s PHE 479 Ca -0.12 1.87 0.03 0.00 -0.60 0.00 0.00 56.93 58.10 1xoi s PHE 479 Cb 0.06 -3.01 -0.03 0.00 0.51 0.00 0.00 43.02 40.55 1xoi s PHE 479 CO 0.84 0.35 0.25 -0.65 0.70 0.00 0.00 175.22 176.71 1xoi s GLN 480 N -0.66 1.56 0.05 0.44 -0.21 0.23 -4.94 119.66 116.13 1xoi s GLN 480 Ca 0.44 -1.83 0.07 0.00 0.02 0.00 0.00 55.36 54.06 1xoi s GLN 480 Cb -0.25 0.32 -0.03 0.00 1.00 0.00 0.00 33.01 34.06 1xoi s GLN 480 CO 0.31 -0.57 -0.21 1.21 -2.12 0.00 0.00 175.29 173.92 1xoi s ASN 481 N -3.27 2.46 -0.32 5.90 3.84 -1.26 -2.30 114.94 119.99 1xoi s ASN 481 Ca 0.39 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 52.91 1xoi s ASN 481 Cb 0.04 -0.19 0.14 0.00 -0.55 0.00 0.00 41.25 40.69 1xoi s ASN 481 CO 0.21 0.14 0.30 -0.54 -2.79 0.00 0.00 177.10 174.42 1xoi s LYS 482 N -1.30 0.43 0.19 0.43 -0.14 -1.01 -4.91 119.74 113.43 1xoi s LYS 482 Ca 0.07 -0.53 -0.31 0.00 -1.36 0.00 0.00 55.97 53.85 1xoi s LYS 482 Cb -0.09 -0.79 -0.10 0.00 -1.68 0.00 0.00 37.83 35.17 1xoi s LYS 482 CO 0.02 -1.10 1.52 0.99 -0.76 0.00 0.00 175.35 176.03 1xoi s THR 483 N 1.91 2.63 1.13 2.17 2.01 -1.26 -4.10 115.64 120.14 1xoi s THR 483 Ca 0.13 0.48 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 1xoi s THR 483 Cb -0.15 -3.31 0.20 0.00 0.01 0.00 0.00 72.50 69.24 1xoi s THR 483 CO -0.21 0.05 0.56 0.59 -0.69 0.00 0.00 174.62 174.93 1xoi n ASN 484 N 3.40 -1.96 -3.74 3.53 3.02 -0.68 -4.63 115.26 114.20 1xoi n ASN 484 Ca 0.11 -0.10 -0.08 0.00 -0.03 0.00 0.00 54.58 54.48 1xoi n ASN 484 Cb 0.39 -1.14 -0.02 0.00 -0.61 0.00 0.00 39.78 38.40 1xoi n ASN 484 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xoi s GLY 485 N -2.15 0.16 0.05 7.41 0.00 -1.26 -4.81 107.32 106.72 1xoi s GLY 485 Ca 0.63 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.86 1xoi s GLY 485 CO 0.66 -0.27 -0.13 -0.26 0.00 0.00 0.00 173.10 173.10 1xoi s ILE 486 N -3.69 0.99 -0.05 0.90 -4.36 -0.04 -4.46 121.20 110.49 1xoi s ILE 486 Ca 0.15 -1.13 -0.30 0.00 -0.26 0.00 0.00 60.65 59.11 1xoi s ILE 486 Cb -0.05 -0.95 -0.03 0.00 1.25 0.00 0.00 42.46 42.68 1xoi s ILE 486 CO 0.08 -0.16 1.18 0.28 0.24 0.00 0.00 174.94 176.56 1xoi s THR 487 N -1.11 4.29 -1.60 8.37 -1.32 -1.26 -0.97 115.64 122.04 1xoi s THR 487 Ca -0.02 1.62 0.18 0.00 -1.21 0.00 0.00 61.69 62.26 1xoi s THR 487 Cb -0.09 -4.04 0.38 0.00 -1.51 0.00 0.00 72.50 67.24 1xoi s THR 487 CO 0.02 0.01 1.53 -0.81 -2.21 0.00 0.00 174.62 173.16 1xoi n PRO 488 N 5.08 0.35 0.00 7.08 -0.04 -1.26 -1.72 135.00 144.49 1xoi n PRO 488 Ca 0.11 0.08 -0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1xoi n PRO 488 Cb 0.46 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1xoi n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xoi h ARG 489 N 0.00 -0.02 -0.27 0.54 -0.00 -1.90 -2.21 114.38 110.51 1xoi h ARG 489 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1xoi h ARG 489 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.08 1xoi h ARG 489 CO 0.00 -0.01 0.17 -0.09 0.00 0.00 0.00 179.97 180.04 1xoi h ARG 490 N -0.13 0.37 -0.79 0.04 2.43 -1.96 0.27 114.38 114.61 1xoi h ARG 490 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xoi h ARG 490 Cb 0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1xoi h ARG 490 CO 0.00 0.26 0.00 0.91 -1.51 0.00 0.00 179.97 179.64 1xoi n TRP 491 N -4.88 0.67 0.00 2.20 7.02 -0.70 -2.03 117.44 119.71 1xoi n TRP 491 Ca -0.02 -0.24 0.00 0.00 -1.02 0.00 0.00 57.50 56.22 1xoi n TRP 491 Cb 0.04 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 28.71 1xoi n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1xoi n LEU 492 N 0.21 0.00 -0.25 -0.99 -0.00 -1.15 -4.78 117.00 110.05 1xoi n LEU 492 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.09 1xoi n LEU 492 Cb 0.53 0.36 0.11 0.00 -0.00 0.00 0.00 43.42 44.42 1xoi n LEU 492 CO 0.10 -0.48 1.11 -0.07 -0.00 0.00 0.00 177.39 178.05 1xoi h LEU 493 N 0.00 0.59 0.11 -1.96 3.38 -0.68 -0.02 115.31 116.73 1xoi h LEU 493 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xoi h LEU 493 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xoi h LEU 493 CO 0.00 0.38 -0.05 0.25 0.09 0.00 0.00 178.44 179.11 1xoi h LEU 494 N 0.73 -0.13 -1.18 1.67 6.46 -0.62 -3.28 115.31 118.97 1xoi h LEU 494 Ca 0.32 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.02 1xoi h LEU 494 Cb 0.20 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1xoi h LEU 494 CO -0.19 0.37 -0.13 0.00 -0.62 0.00 0.00 178.44 177.88 1xoi n ASN 496 N -3.26 1.38 -0.17 0.00 2.85 -0.02 -4.81 115.26 111.22 1xoi n ASN 496 Ca 0.01 -3.07 0.19 0.00 -0.11 0.00 0.00 54.58 51.60 1xoi n ASN 496 Cb 0.39 -0.62 0.57 0.00 1.24 0.00 0.00 39.78 41.36 1xoi n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xoi h PRO 497 N 3.22 0.28 -0.14 1.20 0.13 -1.64 -1.27 132.00 133.79 1xoi h PRO 497 Ca 0.10 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1xoi h PRO 497 Cb 0.87 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1xoi h PRO 497 CO 0.55 0.19 0.07 0.78 -0.23 0.00 0.00 178.00 179.36 1xoi h GLY 498 N 0.29 0.21 0.84 1.56 0.00 -1.91 0.39 103.07 104.45 1xoi h GLY 498 Ca 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1xoi h GLY 498 CO -0.11 0.09 0.04 -2.00 0.00 0.00 0.00 176.54 174.56 1xoi h LEU 499 N 0.11 0.29 -0.72 3.11 6.46 -1.64 -1.98 115.31 120.93 1xoi h LEU 499 Ca 0.05 -0.24 0.12 0.00 -0.12 0.00 0.00 57.88 57.68 1xoi h LEU 499 Cb 0.10 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 39.87 1xoi h LEU 499 CO -0.01 0.46 0.32 0.00 -0.62 0.00 0.00 178.44 178.59 1xoi h ALA 500 N 0.84 1.00 -0.04 1.25 0.00 -1.14 -0.85 119.26 120.32 1xoi h ALA 500 Ca 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xoi h ALA 500 Cb 0.29 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xoi h ALA 500 CO 0.00 -0.14 0.02 1.49 0.00 0.00 0.00 179.25 180.62 1xoi h GLU 501 N 0.51 0.05 -0.49 0.00 4.81 -0.76 -1.08 114.58 117.62 1xoi h GLU 501 Ca 0.37 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.66 1xoi h GLU 501 Cb 0.49 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1xoi h GLU 501 CO -0.33 0.17 0.16 1.25 -0.73 0.00 0.00 179.01 179.53 1xoi h LEU 502 N -0.08 0.15 -0.44 1.64 6.46 -0.73 0.35 115.31 122.66 1xoi h LEU 502 Ca 0.01 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 1xoi h LEU 502 Cb 0.14 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1xoi h LEU 502 CO -0.00 0.12 -0.02 0.40 -0.62 0.00 0.00 178.44 178.31 1xoi h ILE 503 N 0.33 1.26 -0.34 4.05 2.04 -1.10 -2.78 117.51 120.97 1xoi h ILE 503 Ca 0.23 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 65.02 1xoi h ILE 503 Cb 0.25 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1xoi h ILE 503 CO -0.25 0.37 0.21 0.00 0.00 0.00 0.00 178.15 178.49 1xoi h ALA 504 N 0.90 0.43 -0.81 1.87 0.00 -0.59 0.39 119.26 121.45 1xoi h ALA 504 Ca 0.12 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1xoi h ALA 504 Cb 0.53 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1xoi h ALA 504 CO 0.03 -0.13 0.53 0.93 0.00 0.00 0.00 179.25 180.60 1xoi h GLU 505 N 0.43 0.67 0.14 0.00 5.08 -0.85 0.37 114.58 120.43 1xoi h GLU 505 Ca 0.13 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 58.19 1xoi h GLU 505 Cb -0.02 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.09 1xoi h GLU 505 CO -0.05 0.45 -1.29 0.87 -1.00 0.00 0.00 179.01 177.99 1xoi h LYS 506 N 0.69 0.30 0.00 2.33 1.79 -1.11 -3.41 116.57 117.16 1xoi h LYS 506 Ca 0.38 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1xoi h LYS 506 Cb 0.54 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1xoi h LYS 506 CO -0.15 1.25 -0.00 0.44 -1.08 0.00 0.00 179.45 179.90 1xoi n ILE 507 N -3.93 0.90 0.00 1.86 -5.35 0.06 -5.10 119.36 107.81 1xoi n ILE 507 Ca -0.21 -0.92 0.00 0.00 -0.27 0.00 0.00 62.75 61.35 1xoi n ILE 507 Cb 0.91 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1xoi n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xoi n GLY 508 N -0.47 -0.41 0.69 3.28 0.00 0.13 -4.64 105.19 103.77 1xoi n GLY 508 Ca 0.01 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.38 1xoi n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xoi n GLU 509 N -0.42 1.93 -0.08 1.61 1.02 -1.26 -4.23 120.64 119.22 1xoi n GLU 509 Ca 0.00 -1.39 0.15 0.00 -0.02 0.00 0.00 57.16 55.90 1xoi n GLU 509 Cb 0.00 -1.47 0.55 0.00 -0.02 0.00 0.00 31.44 30.50 1xoi n GLU 509 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1xoi h ASP 510 N 3.40 0.28 -0.33 1.62 3.45 -1.95 -2.59 116.42 120.29 1xoi h ASP 510 Ca 0.00 0.01 0.10 0.00 0.43 0.00 0.00 57.03 57.57 1xoi h ASP 510 Cb 0.73 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 1xoi h ASP 510 CO 0.00 0.16 0.31 0.10 -1.57 0.00 0.00 179.24 178.24 1xoi h TYR 511 N 0.30 0.00 -0.84 4.55 -0.00 -1.77 -2.34 116.97 116.87 1xoi h TYR 511 Ca 0.29 0.00 0.06 0.00 -0.00 0.00 0.00 58.73 59.08 1xoi h TYR 511 Cb 0.73 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.40 1xoi h TYR 511 CO -0.00 0.00 0.52 -0.39 -0.00 0.00 0.00 178.16 178.29 1xoi h VAL 512 N 0.00 1.04 0.00 -0.90 -1.51 -1.81 -1.91 116.25 111.16 1xoi h VAL 512 Ca 0.16 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1xoi h VAL 512 Cb 0.79 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1xoi h VAL 512 CO -0.00 0.17 -1.04 0.29 -1.23 0.00 0.00 177.57 175.76 1xoi n LYS 513 N -4.63 0.23 -3.40 5.19 5.02 -0.92 -4.61 118.16 115.04 1xoi n LYS 513 Ca 0.12 -0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.13 1xoi n LYS 513 Cb 0.17 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 1xoi n LYS 513 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xoi s ASP 514 N -3.68 1.96 0.59 4.39 3.68 -0.95 -5.00 116.67 117.66 1xoi s ASP 514 Ca 0.04 -2.48 0.33 0.00 2.13 0.00 0.00 52.55 52.57 1xoi s ASP 514 Cb 0.15 -0.23 1.88 0.00 -1.45 0.00 0.00 42.92 43.27 1xoi s ASP 514 CO 0.81 -0.24 2.24 0.25 0.13 0.00 0.00 175.17 178.37 1xoi h LEU 515 N 6.36 0.00 -2.64 -1.34 5.85 -1.61 -1.48 115.31 120.45 1xoi h LEU 515 Ca 0.15 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1xoi h LEU 515 Cb 0.96 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1xoi h LEU 515 CO 0.29 0.02 0.08 0.77 -0.34 0.00 0.00 178.44 179.26 1xoi h SER 516 N 0.00 0.00 0.05 1.25 4.64 -1.85 -0.28 113.55 117.36 1xoi h SER 516 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xoi h SER 516 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1xoi h SER 516 CO 0.00 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.52 1xoi h GLN 517 N 0.00 0.00 0.00 4.77 1.08 -1.59 -2.25 115.11 117.12 1xoi h GLN 517 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1xoi h GLN 517 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1xoi h GLN 517 CO -0.00 0.00 0.00 -0.07 -0.95 0.00 0.00 178.83 177.81 1xoi h LEU 518 N 0.00 0.00 -2.89 1.46 3.38 -1.27 -1.94 115.31 114.05 1xoi h LEU 518 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xoi h LEU 518 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xoi h LEU 518 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.24 1xoi h THR 519 N 0.00 0.10 0.00 0.22 1.35 -1.17 0.02 112.91 113.43 1xoi h THR 519 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1xoi h THR 519 Cb 0.14 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1xoi h THR 519 CO 0.00 0.00 -0.04 0.11 -0.25 0.00 0.00 175.52 175.34 1xoi h LYS 520 N 0.00 0.00 0.00 4.72 1.57 -1.60 -1.63 116.57 119.63 1xoi h LYS 520 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xoi h LYS 520 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1xoi h LYS 520 CO -0.00 0.04 0.09 -0.07 -0.57 0.00 0.00 179.45 178.94 1xoi h LEU 521 N 0.00 0.00 -2.55 2.94 3.38 -1.20 -1.29 115.31 116.59 1xoi h LEU 521 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xoi h LEU 521 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xoi h LEU 521 CO 0.00 0.00 0.07 0.45 0.09 0.00 0.00 178.44 179.06 1xoi h HIS 522 N 0.00 0.00 0.00 1.13 3.86 -1.48 -1.41 115.15 117.25 1xoi h HIS 522 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xoi h HIS 522 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1xoi h HIS 522 CO 0.00 0.00 0.00 0.77 0.86 0.00 0.00 177.93 179.56 1xoi h SER 523 N 0.00 0.00 -0.66 2.45 0.02 -1.46 -2.70 113.55 111.20 1xoi h SER 523 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xoi h SER 523 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1xoi h SER 523 CO -0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 1xoi n PHE 524 N -2.87 1.17 -0.32 3.45 3.01 -0.53 -4.63 117.46 116.74 1xoi n PHE 524 Ca -0.01 -0.56 0.23 0.00 1.01 0.00 0.00 57.45 58.12 1xoi n PHE 524 Cb 0.18 -0.12 0.51 0.00 -0.01 0.00 0.00 39.48 40.04 1xoi n PHE 524 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1xoi h LEU 525 N 3.98 0.44 -2.40 4.37 3.38 -1.62 0.33 115.31 123.78 1xoi h LEU 525 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xoi h LEU 525 Cb 1.19 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xoi h LEU 525 CO 0.11 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1xoi n GLY 526 N -1.48 1.80 3.56 0.83 0.00 -1.26 -4.88 105.19 103.75 1xoi n GLY 526 Ca 0.25 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1xoi n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xoi s ASP 527 N -1.19 6.29 0.20 1.61 3.68 0.10 -4.87 116.67 122.49 1xoi s ASP 527 Ca 0.32 -0.97 -0.10 0.00 2.13 0.00 0.00 52.55 53.92 1xoi s ASP 527 Cb 0.18 -2.56 0.23 0.00 -1.45 0.00 0.00 42.92 39.31 1xoi s ASP 527 CO 0.25 -1.71 1.77 0.44 0.13 0.00 0.00 175.17 176.05 1xoi h ASP 528 N 10.07 0.35 -0.70 -0.34 5.19 -1.90 -1.22 116.42 127.88 1xoi h ASP 528 Ca -0.01 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1xoi h ASP 528 Cb 1.03 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.49 1xoi h ASP 528 CO 1.36 0.22 0.43 0.58 -3.12 0.00 0.00 179.24 178.71 1xoi h VAL 529 N 0.50 1.09 -0.06 -1.35 2.07 -1.97 0.17 116.25 116.70 1xoi h VAL 529 Ca 0.28 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1xoi h VAL 529 Cb 0.26 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1xoi h VAL 529 CO -0.23 0.15 0.03 0.15 0.02 0.00 0.00 177.57 177.69 1xoi h PHE 530 N 0.85 0.08 -0.95 1.57 3.57 -1.70 -0.08 116.94 120.27 1xoi h PHE 530 Ca 0.28 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.89 1xoi h PHE 530 Cb 0.03 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.67 1xoi h PHE 530 CO -0.04 0.14 0.61 -0.07 -2.23 0.00 0.00 178.31 176.71 1xoi h LEU 531 N -0.00 0.86 -0.33 0.59 3.38 -0.75 0.31 115.31 119.37 1xoi h LEU 531 Ca 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xoi h LEU 531 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xoi h LEU 531 CO -0.00 0.47 0.11 0.03 0.09 0.00 0.00 178.44 179.14 1xoi h ARG 532 N 0.93 0.50 -0.76 1.13 3.08 -0.04 -1.52 114.38 117.70 1xoi h ARG 532 Ca 0.46 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1xoi h ARG 532 Cb 0.48 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1xoi h ARG 532 CO -0.22 0.52 0.43 0.93 -1.07 0.00 0.00 179.97 180.56 1xoi h GLU 533 N 0.37 1.05 -0.21 0.04 5.08 0.87 -1.02 114.58 120.77 1xoi h GLU 533 Ca 0.11 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xoi h GLU 533 Cb 0.22 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1xoi h GLU 533 CO -0.01 0.77 0.12 1.25 -1.00 0.00 0.00 179.01 180.14 1xoi h LEU 534 N 1.06 0.27 -1.08 1.33 5.85 -0.13 -2.19 115.31 120.42 1xoi h LEU 534 Ca 0.27 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1xoi h LEU 534 Cb 0.01 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1xoi h LEU 534 CO -0.05 0.28 0.23 0.00 -0.34 0.00 0.00 178.44 178.57 1xoi h ALA 535 N 1.00 1.27 -0.38 1.25 0.00 -0.82 -2.60 119.26 118.98 1xoi h ALA 535 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xoi h ALA 535 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xoi h ALA 535 CO -0.01 0.54 0.22 -0.22 0.00 0.00 0.00 179.25 179.77 1xoi h LYS 536 N 0.87 0.52 -0.15 0.00 3.64 -0.84 0.25 116.57 120.86 1xoi h LYS 536 Ca 0.21 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1xoi h LYS 536 Cb 0.19 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1xoi h LYS 536 CO -0.02 0.41 -0.10 0.28 -2.27 0.00 0.00 179.45 177.75 1xoi h VAL 537 N 0.49 0.69 -0.57 2.00 2.07 -1.10 0.53 116.25 120.36 1xoi h VAL 537 Ca 0.14 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1xoi h VAL 537 Cb 0.03 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1xoi h VAL 537 CO -0.02 0.00 0.32 0.50 0.02 0.00 0.00 177.57 178.39 1xoi h LYS 538 N -0.10 0.61 -0.39 1.57 1.63 -1.17 -1.04 116.57 117.68 1xoi h LYS 538 Ca 0.09 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.93 1xoi h LYS 538 Cb 0.24 -0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.66 1xoi h LYS 538 CO -0.22 0.40 -0.09 0.37 -3.45 0.00 0.00 179.45 176.46 1xoi h GLN 539 N 0.63 0.00 -0.69 1.90 4.15 0.74 0.31 115.11 122.15 1xoi h GLN 539 Ca 0.24 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 1xoi h GLN 539 Cb 0.08 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 1xoi h GLN 539 CO -0.13 0.00 0.39 0.93 -1.93 0.00 0.00 178.83 178.09 1xoi h GLU 540 N 0.00 0.96 -0.37 1.69 5.08 0.77 -1.40 114.58 121.31 1xoi h GLU 540 Ca 0.19 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1xoi h GLU 540 Cb 0.28 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1xoi h GLU 540 CO -0.40 0.71 0.15 -0.91 -1.00 0.00 0.00 179.01 177.57 1xoi h ASN 541 N 0.95 0.51 -0.27 1.42 -0.26 -0.46 -1.75 115.58 115.72 1xoi h ASN 541 Ca 0.25 -0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 1xoi h ASN 541 Cb 0.02 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1xoi h ASN 541 CO -0.04 0.54 0.13 0.11 -1.06 0.00 0.00 177.43 177.11 1xoi h LYS 542 N 0.46 0.44 0.21 0.81 1.57 -0.70 -0.24 116.57 119.12 1xoi h LYS 542 Ca 0.12 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1xoi h LYS 542 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xoi h LYS 542 CO -0.01 0.36 -0.10 1.25 -0.57 0.00 0.00 179.45 180.38 1xoi h LEU 543 N 0.44 -0.24 -0.58 2.94 5.85 -0.89 0.38 115.31 123.21 1xoi h LEU 543 Ca 0.11 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1xoi h LEU 543 Cb 0.08 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1xoi h LEU 543 CO -0.01 0.18 0.29 0.50 -0.34 0.00 0.00 178.44 179.06 1xoi h LYS 544 N -0.71 0.53 -0.17 1.25 3.64 -1.04 -1.50 116.57 118.56 1xoi h LYS 544 Ca -0.03 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1xoi h LYS 544 Cb 0.49 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1xoi h LYS 544 CO 0.05 0.35 -0.35 0.35 -2.27 0.00 0.00 179.45 177.58 1xoi h PHE 545 N 0.54 0.41 -0.20 1.91 3.57 -1.04 -2.41 116.94 119.73 1xoi h PHE 545 Ca 0.26 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1xoi h PHE 545 Cb 0.20 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1xoi h PHE 545 CO -0.11 0.66 -0.09 0.77 -2.23 0.00 0.00 178.31 177.32 1xoi h SER 546 N 0.31 0.29 -0.30 0.41 0.02 -0.07 0.20 113.55 114.41 1xoi h SER 546 Ca 0.04 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1xoi h SER 546 Cb 0.76 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1xoi h SER 546 CO 0.06 0.42 0.11 1.56 -1.14 0.00 0.00 176.83 177.84 1xoi h GLN 547 N 0.30 0.46 0.17 3.45 4.20 -0.81 -1.63 115.11 121.24 1xoi h GLN 547 Ca 0.06 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.69 1xoi h GLN 547 Cb 0.35 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1xoi h GLN 547 CO 0.02 0.49 -0.30 0.35 -0.67 0.00 0.00 178.83 178.73 1xoi h PHE 548 N 0.34 -0.80 -0.76 2.96 3.57 -0.99 -2.19 116.94 119.08 1xoi h PHE 548 Ca 0.10 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.75 1xoi h PHE 548 Cb 0.21 0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.19 1xoi h PHE 548 CO 0.00 -0.41 0.33 -0.07 -2.23 0.00 0.00 178.31 175.93 1xoi h LEU 549 N -0.55 0.36 -0.43 0.59 3.38 -0.81 -1.83 115.31 116.02 1xoi h LEU 549 Ca 0.02 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 1xoi h LEU 549 Cb 0.55 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1xoi h LEU 549 CO -0.14 0.16 -0.52 -0.33 0.09 0.00 0.00 178.44 177.70 1xoi h GLU 550 N 0.50 0.72 0.00 1.13 5.08 -1.08 0.27 114.58 121.20 1xoi h GLU 550 Ca 0.41 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xoi h GLU 550 Cb 0.57 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1xoi h GLU 550 CO -0.37 1.06 0.00 1.79 -1.00 0.00 0.00 179.01 180.50 1xoi h THR 551 N 0.56 0.00 0.06 1.13 1.35 -0.99 -3.25 112.91 111.76 1xoi h THR 551 Ca 0.02 -0.68 -0.37 0.00 -0.55 0.00 0.00 66.41 64.82 1xoi h THR 551 Cb 1.09 1.67 -0.04 0.00 -1.73 0.00 0.00 68.15 69.14 1xoi h THR 551 CO 0.11 0.00 -2.22 -0.62 -0.25 0.00 0.00 175.52 172.54 1xoi n GLU 552 N -3.03 0.70 -4.90 4.72 -0.58 -0.72 -4.95 120.64 111.88 1xoi n GLU 552 Ca 0.02 0.20 -0.31 0.00 -0.42 0.00 0.00 57.16 56.66 1xoi n GLU 552 Cb 0.39 -1.62 -0.14 0.00 -0.57 0.00 0.00 31.44 29.50 1xoi n GLU 552 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1xoi s TYR 553 N -2.54 2.43 -0.22 -0.32 1.51 0.93 -5.01 117.35 114.13 1xoi s TYR 553 Ca -0.27 -0.34 0.19 0.00 -1.01 0.00 0.00 57.07 55.64 1xoi s TYR 553 Cb 0.08 -1.46 1.05 0.00 -0.11 0.00 0.00 41.96 41.52 1xoi s TYR 553 CO 0.70 0.14 1.58 1.17 -1.11 0.00 0.00 175.55 178.03 1xoi n LYS 554 N 1.88 0.13 -1.29 -0.62 4.81 -1.26 -4.28 118.16 117.53 1xoi n LYS 554 Ca -0.17 0.62 -0.34 0.00 -0.87 0.00 0.00 58.31 57.56 1xoi n LYS 554 Cb 0.52 -1.95 0.11 0.00 0.02 0.00 0.00 35.03 33.73 1xoi n LYS 554 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1xoi s VAL 555 N -3.49 2.18 -0.22 3.15 1.01 -1.26 -5.03 120.40 116.74 1xoi s VAL 555 Ca -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1xoi s VAL 555 Cb 0.06 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1xoi s VAL 555 CO 0.18 -0.05 -0.05 -0.75 0.00 0.00 0.00 175.10 174.42 1xoi s LYS 556 N -4.01 3.36 -0.03 2.72 2.47 -1.26 -4.49 119.74 118.50 1xoi s LYS 556 Ca 0.74 -0.64 -0.19 0.00 -1.56 0.00 0.00 55.97 54.33 1xoi s LYS 556 Cb -0.29 -2.98 -0.05 0.00 -1.46 0.00 0.00 37.83 33.05 1xoi s LYS 556 CO 0.48 -0.19 0.52 0.42 0.16 0.00 0.00 175.35 176.74 1xoi s ILE 557 N 1.45 5.00 -0.66 5.43 -1.09 -1.26 -5.01 121.20 125.05 1xoi s ILE 557 Ca 0.05 1.08 -0.25 0.00 -2.23 0.00 0.00 60.65 59.31 1xoi s ILE 557 Cb -0.14 -3.85 0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1xoi s ILE 557 CO -0.04 0.43 1.08 0.21 -1.23 0.00 0.00 174.94 175.40 1xoi s ASN 558 N -0.19 6.21 0.00 3.58 3.84 -1.26 -4.86 114.94 122.26 1xoi s ASN 558 Ca 0.28 -0.64 0.01 0.00 0.21 0.00 0.00 52.86 52.72 1xoi s ASN 558 Cb -0.17 -2.48 0.06 0.00 -0.55 0.00 0.00 41.25 38.11 1xoi s ASN 558 CO 0.15 -1.54 1.02 -0.81 -2.79 0.00 0.00 177.10 173.12 1xoi n PRO 559 N 8.28 0.00 0.00 0.43 -0.04 -1.26 -0.54 135.00 141.87 1xoi n PRO 559 Ca 0.00 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.04 1xoi n PRO 559 Cb 0.47 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.64 1xoi n PRO 559 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xoi n SER 560 N -1.48 0.84 -4.81 3.54 2.88 -1.26 -4.94 113.62 108.40 1xoi n SER 560 Ca 0.00 -0.64 -0.34 0.00 -1.33 0.00 0.00 58.87 56.56 1xoi n SER 560 Cb 0.02 0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.77 1xoi n SER 560 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xoi s SER 561 N -2.82 6.73 0.06 -3.46 1.04 0.30 -4.87 113.70 110.68 1xoi s SER 561 Ca 0.15 1.79 -0.31 0.00 0.48 0.00 0.00 55.95 58.07 1xoi s SER 561 Cb 0.18 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.69 1xoi s SER 561 CO 0.67 -0.51 1.30 -0.32 0.98 0.00 0.00 173.24 175.35 1xoi s MET 562 N -3.14 4.36 -0.55 4.02 -2.45 -0.30 -4.73 119.30 116.51 1xoi s MET 562 Ca 0.63 1.90 -0.24 0.00 -1.25 0.00 0.00 55.69 56.74 1xoi s MET 562 Cb -0.12 -3.36 0.04 0.00 1.25 0.00 0.00 34.83 32.64 1xoi s MET 562 CO 0.16 -0.38 0.93 -0.06 1.05 0.00 0.00 175.02 176.72 1xoi s PHE 563 N 1.37 2.80 -0.43 4.11 0.40 -1.26 -1.03 117.98 123.93 1xoi s PHE 563 Ca 0.61 -0.04 -0.17 0.00 -0.60 0.00 0.00 56.93 56.73 1xoi s PHE 563 Cb -0.32 -4.07 0.03 0.00 0.51 0.00 0.00 43.02 39.17 1xoi s PHE 563 CO 0.29 -1.35 0.43 0.34 0.70 0.00 0.00 175.22 175.62 1xoi s ASP 564 N 2.86 6.18 -0.04 1.36 -1.08 -0.31 -1.29 116.67 124.35 1xoi s ASP 564 Ca 0.30 -0.76 0.06 0.00 -0.52 0.00 0.00 52.55 51.62 1xoi s ASP 564 Cb -0.13 -2.22 -0.01 0.00 -1.46 0.00 0.00 42.92 39.11 1xoi s ASP 564 CO 0.19 -0.58 -0.22 -0.69 0.52 0.00 0.00 175.17 174.38 1xoi s VAL 565 N 2.07 1.82 -0.34 1.11 1.01 0.06 -0.30 120.40 125.83 1xoi s VAL 565 Ca 0.11 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1xoi s VAL 565 Cb -0.18 -1.54 0.11 0.00 0.00 0.00 0.00 36.38 34.78 1xoi s VAL 565 CO 0.13 0.51 0.15 -1.58 0.00 0.00 0.00 175.10 174.31 1xoi s GLN 566 N -0.21 0.68 -0.14 2.72 0.74 -0.13 -0.78 119.66 122.53 1xoi s GLN 566 Ca -0.00 -1.18 0.02 0.00 0.05 0.00 0.00 55.36 54.24 1xoi s GLN 566 Cb -0.12 -1.74 0.01 0.00 1.10 0.00 0.00 33.01 32.26 1xoi s GLN 566 CO 0.02 -1.07 -0.20 0.14 -0.55 0.00 0.00 175.29 173.63 1xoi s VAL 567 N 1.38 1.93 0.00 1.34 -7.23 -1.26 -1.50 120.40 115.06 1xoi s VAL 567 Ca 0.13 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1xoi s VAL 567 Cb -0.19 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1xoi s VAL 567 CO -0.18 0.52 0.00 2.29 -0.31 0.00 0.00 175.10 177.43 1xoi n LYS 568 N 4.23 -0.20 -1.76 4.82 2.85 -0.81 -4.99 118.16 122.30 1xoi n LYS 568 Ca -0.20 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.66 1xoi n LYS 568 Cb 0.51 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.90 1xoi n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1xoi n ARG 569 N -0.24 2.34 -2.46 -1.58 5.12 -1.26 -3.87 116.66 114.71 1xoi n ARG 569 Ca 0.00 0.83 -0.42 0.00 -1.93 0.00 0.00 57.85 56.33 1xoi n ARG 569 Cb 0.00 -2.62 -0.03 0.00 -1.16 0.00 0.00 32.46 28.66 1xoi n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xoi s ILE 570 N -1.17 4.25 -0.09 0.55 -1.09 -0.60 -4.90 121.20 118.14 1xoi s ILE 570 Ca 0.59 1.58 -0.30 0.00 -2.23 0.00 0.00 60.65 60.29 1xoi s ILE 570 Cb -0.46 -4.01 0.07 0.00 -1.58 0.00 0.00 42.46 36.48 1xoi s ILE 570 CO 0.59 0.01 0.71 -2.28 -1.23 0.00 0.00 174.94 172.74 1xoi s HIS 571 N 2.11 -0.66 0.32 3.97 2.46 -1.26 -4.70 115.29 117.53 1xoi s HIS 571 Ca 0.56 1.22 0.00 0.00 0.47 0.00 0.00 55.06 57.31 1xoi s HIS 571 Cb -0.25 0.39 0.53 0.00 -0.13 0.00 0.00 32.58 33.12 1xoi s HIS 571 CO 0.23 -0.56 1.97 0.93 -2.47 0.00 0.00 174.74 174.83 1xoi h GLU 572 N 3.28 0.92 0.00 2.88 5.08 -1.96 -1.77 114.58 123.01 1xoi h GLU 572 Ca -0.27 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1xoi h GLU 572 Cb 1.14 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1xoi h GLU 572 CO 0.33 0.65 -0.07 0.10 -1.00 0.00 0.00 179.01 179.02 1xoi h TYR 573 N 0.94 0.00 0.00 4.33 -0.00 -1.96 -1.58 116.97 118.70 1xoi h TYR 573 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.81 1xoi h TYR 573 Cb -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.66 1xoi h TYR 573 CO 0.00 0.07 -0.79 0.87 -0.00 0.00 0.00 178.16 178.32 1xoi h LYS 574 N 0.00 0.00 -5.11 0.10 1.79 -1.68 -2.90 116.57 108.77 1xoi h LYS 574 Ca -0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 1xoi h LYS 574 Cb 0.52 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.31 1xoi h LYS 574 CO 0.01 0.79 -0.63 0.54 -1.08 0.00 0.00 179.45 179.07 1xoi n ARG 575 N -3.48 -6.01 0.06 3.15 1.74 -0.60 -3.88 116.66 107.64 1xoi n ARG 575 Ca -0.00 0.72 0.08 0.00 -0.77 0.00 0.00 57.85 57.88 1xoi n ARG 575 Cb 0.79 -5.37 0.36 0.00 -1.02 0.00 0.00 32.46 27.23 1xoi n ARG 575 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xoi n GLN 576 N -3.88 0.08 -0.14 5.56 0.00 -1.26 -1.64 117.38 116.11 1xoi n GLN 576 Ca -0.16 0.38 -0.10 0.00 0.00 0.00 0.00 57.00 57.11 1xoi n GLN 576 Cb 0.61 -1.68 -0.01 0.00 0.00 0.00 0.00 30.24 29.16 1xoi n GLN 576 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1xoi h LEU 577 N 0.00 0.68 -0.83 2.61 6.46 -1.90 -0.74 115.31 121.59 1xoi h LEU 577 Ca 0.00 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 57.47 1xoi h LEU 577 Cb 0.24 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 1xoi h LEU 577 CO 0.00 0.81 0.55 0.25 -0.62 0.00 0.00 178.44 179.43 1xoi h LEU 578 N 0.52 0.95 -0.46 2.25 5.85 -1.69 -0.77 115.31 121.96 1xoi h LEU 578 Ca 0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1xoi h LEU 578 Cb 0.46 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1xoi h LEU 578 CO 0.02 0.68 0.26 -1.13 -0.34 0.00 0.00 178.44 177.93 1xoi h ASN 579 N 1.12 0.57 -0.98 1.25 -0.00 -1.45 -2.11 115.58 113.98 1xoi h ASN 579 Ca 0.31 -0.08 0.03 0.00 -0.00 0.00 0.00 56.30 56.56 1xoi h ASN 579 Cb -0.12 -0.14 -0.05 0.00 -0.00 0.00 0.00 38.32 38.00 1xoi h ASN 579 CO -0.07 0.48 0.64 0.00 -0.00 0.00 0.00 177.43 178.48 1xoi h LEU 581 N 1.26 0.67 -1.14 0.00 3.38 -0.59 -1.16 115.31 117.72 1xoi h LEU 581 Ca 0.38 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 1xoi h LEU 581 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1xoi h LEU 581 CO -0.11 0.55 0.02 -0.74 0.09 0.00 0.00 178.44 178.24 1xoi h HIS 582 N 0.73 0.64 -0.41 1.13 2.76 -0.65 0.77 115.15 120.13 1xoi h HIS 582 Ca 0.19 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 1xoi h HIS 582 Cb 0.01 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 1xoi h HIS 582 CO -0.02 0.61 0.14 0.28 -1.30 0.00 0.00 177.93 177.64 1xoi h VAL 583 N 0.59 1.21 -0.48 5.26 2.07 -0.30 0.47 116.25 125.08 1xoi h VAL 583 Ca 0.13 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 1xoi h VAL 583 Cb 0.35 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1xoi h VAL 583 CO 0.01 0.24 -0.03 0.40 0.02 0.00 0.00 177.57 178.22 1xoi h ILE 584 N 0.52 1.25 -0.64 4.57 2.04 -0.84 -1.03 117.51 123.37 1xoi h ILE 584 Ca 0.13 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1xoi h ILE 584 Cb 0.23 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1xoi h ILE 584 CO -0.01 0.37 0.40 0.74 0.00 0.00 0.00 178.15 179.65 1xoi h THR 585 N 0.75 1.18 -0.46 -0.27 2.02 -0.29 0.08 112.91 115.92 1xoi h THR 585 Ca 0.14 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1xoi h THR 585 Cb 0.49 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1xoi h THR 585 CO 0.02 0.19 -0.00 0.24 0.37 0.00 0.00 175.52 176.34 1xoi h MET 586 N 0.87 0.82 -0.33 6.66 2.86 -0.45 -2.42 114.93 122.94 1xoi h MET 586 Ca 0.23 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1xoi h MET 586 Cb -0.04 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 1xoi h MET 586 CO -0.05 0.87 0.12 -0.92 1.06 0.00 0.00 176.91 178.00 1xoi h TYR 587 N 0.67 0.22 0.00 -0.22 3.20 -0.74 -1.68 116.97 118.42 1xoi h TYR 587 Ca 0.13 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1xoi h TYR 587 Cb 0.51 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 1xoi h TYR 587 CO 0.04 0.10 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.62 1xoi h ASN 588 N 0.27 0.00 -0.06 -2.11 2.35 -0.85 -1.83 115.58 113.35 1xoi h ASN 588 Ca 0.15 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.69 1xoi h ASN 588 Cb 0.11 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.50 1xoi h ASN 588 CO -0.15 0.12 -0.78 0.03 -1.65 0.00 0.00 177.43 175.00 1xoi h ARG 589 N 0.00 0.64 -0.33 0.81 3.08 -0.86 -2.68 114.38 115.04 1xoi h ARG 589 Ca -0.00 -0.60 -0.00 0.00 0.07 0.00 0.00 59.98 59.44 1xoi h ARG 589 Cb 0.31 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1xoi h ARG 589 CO 0.02 1.21 0.19 0.82 -1.07 0.00 0.00 179.97 181.14 1xoi h ILE 590 N 0.28 1.12 -0.46 2.04 2.04 -0.69 -1.78 117.51 120.05 1xoi h ILE 590 Ca -0.08 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1xoi h ILE 590 Cb 1.44 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1xoi h ILE 590 CO 0.16 0.12 0.30 0.11 0.00 0.00 0.00 178.15 178.84 1xoi h LYS 591 N 0.42 0.61 0.00 2.37 1.79 -1.41 -0.28 116.57 120.07 1xoi h LYS 591 Ca 0.12 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1xoi h LYS 591 Cb 0.02 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1xoi h LYS 591 CO -0.02 0.41 -0.17 -0.22 -1.08 0.00 0.00 179.45 178.37 1xoi h LYS 592 N 0.63 0.00 -1.00 3.15 3.11 -1.23 -3.35 116.57 117.87 1xoi h LYS 592 Ca 0.17 0.00 -0.38 0.00 -2.81 0.00 0.00 60.65 57.63 1xoi h LYS 592 Cb -0.07 0.00 -0.27 0.00 -1.00 0.00 0.00 32.23 30.90 1xoi h LYS 592 CO -0.04 0.17 -0.80 -3.47 -2.81 0.00 0.00 179.45 172.50 1xoi n ASP 593 N -3.93 -1.24 0.00 4.20 -0.08 -0.69 -5.00 116.55 109.81 1xoi n ASP 593 Ca -0.02 -3.08 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 1xoi n ASP 593 Cb 0.26 0.61 0.00 0.00 2.34 0.00 0.00 41.12 44.34 1xoi n ASP 593 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1xoi n PRO 594 N 1.27 0.00 0.00 -0.67 -0.02 -0.15 -1.58 135.00 133.86 1xoi n PRO 594 Ca 0.15 0.14 0.01 0.00 -2.02 0.00 0.00 63.50 61.78 1xoi n PRO 594 Cb 0.60 -1.75 -0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1xoi n PRO 594 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xoi n LYS 595 N -1.06 3.01 -1.47 -0.52 5.02 -1.26 -5.06 118.16 116.81 1xoi n LYS 595 Ca 0.00 -0.29 -0.36 0.00 -2.02 0.00 0.00 58.31 55.64 1xoi n LYS 595 Cb 0.25 -0.80 0.09 0.00 -0.02 0.00 0.00 35.03 34.56 1xoi n LYS 595 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xoi n LYS 596 N -0.49 0.73 -1.78 1.97 4.81 -0.61 -4.89 118.16 117.90 1xoi n LYS 596 Ca 0.01 0.31 -0.42 0.00 -0.87 0.00 0.00 58.31 57.34 1xoi n LYS 596 Cb 0.04 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 32.58 1xoi n LYS 596 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1xoi s LEU 597 N -4.76 4.40 -0.06 3.14 1.43 -1.26 -4.97 118.68 116.59 1xoi s LEU 597 Ca 0.79 2.59 -0.03 0.00 -1.03 0.00 0.00 54.13 56.45 1xoi s LEU 597 Cb -0.35 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.37 1xoi s LEU 597 CO 0.45 -1.00 0.13 0.12 0.23 0.00 0.00 176.35 176.28 1xoi s PHE 598 N 3.74 -0.14 -0.14 0.29 5.36 -1.26 -5.11 117.98 120.71 1xoi s PHE 598 Ca 0.82 0.44 -0.29 0.00 -0.96 0.00 0.00 56.93 56.94 1xoi s PHE 598 Cb -0.41 -0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.16 1xoi s PHE 598 CO 0.37 -0.15 1.24 0.08 -1.46 0.00 0.00 175.22 175.30 1xoi s VAL 599 N 1.08 4.28 0.43 3.12 1.01 -1.26 -4.98 120.40 124.08 1xoi s VAL 599 Ca -0.08 1.56 -0.25 0.00 0.00 0.00 0.00 61.98 63.21 1xoi s VAL 599 Cb -0.11 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1xoi s VAL 599 CO -0.05 -0.11 1.31 -2.84 0.00 0.00 0.00 175.10 173.41 1xoi s PRO 600 N 3.21 3.84 0.05 2.72 0.02 -1.26 -4.92 135.00 138.66 1xoi s PRO 600 Ca 0.55 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.75 1xoi s PRO 600 Cb -0.22 -2.67 -0.03 0.00 0.02 0.00 0.00 34.50 31.60 1xoi s PRO 600 CO 0.16 -0.59 -0.10 1.03 -0.33 0.00 0.00 177.00 177.16 1xoi s ARG 601 N -2.36 0.64 -0.28 5.54 0.52 -1.00 -1.15 118.95 120.85 1xoi s ARG 601 Ca 0.59 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 55.00 1xoi s ARG 601 Cb -0.38 -0.49 0.07 0.00 0.52 0.00 0.00 34.95 34.67 1xoi s ARG 601 CO 0.48 0.10 -0.06 0.99 0.02 0.00 0.00 175.30 176.83 1xoi s THR 602 N -1.35 2.12 -0.31 0.02 2.01 -0.20 -1.80 115.64 116.12 1xoi s THR 602 Ca -0.07 -1.79 -0.18 0.00 0.31 0.00 0.00 61.69 59.96 1xoi s THR 602 Cb -0.10 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1xoi s THR 602 CO 0.01 -0.21 0.53 -0.69 -0.69 0.00 0.00 174.62 173.57 1xoi s VAL 603 N 1.08 5.02 -0.18 3.82 1.01 0.15 -1.16 120.40 130.15 1xoi s VAL 603 Ca -0.03 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 1xoi s VAL 603 Cb -0.20 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1xoi s VAL 603 CO -0.06 -0.10 -0.12 -0.63 0.00 0.00 0.00 175.10 174.18 1xoi s ILE 604 N 2.40 2.83 -0.09 2.22 1.01 0.59 -0.66 121.20 129.50 1xoi s ILE 604 Ca 0.20 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1xoi s ILE 604 Cb -0.15 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.11 1xoi s ILE 604 CO 0.12 0.49 -0.11 -0.63 0.00 0.00 0.00 174.94 174.81 1xoi s ILE 605 N 1.04 1.12 0.08 2.92 1.01 -0.60 -0.96 121.20 125.80 1xoi s ILE 605 Ca -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1xoi s ILE 605 Cb -0.15 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1xoi s ILE 605 CO -0.03 0.37 0.07 -0.83 0.00 0.00 0.00 174.94 174.52 1xoi s GLY 606 N 1.09 0.38 0.00 6.18 0.00 -0.56 -1.10 107.32 113.31 1xoi s GLY 606 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1xoi s GLY 606 CO -0.01 -1.12 0.00 0.61 0.00 0.00 0.00 173.10 172.58 1xoi n GLY 607 N 0.02 4.08 3.89 0.20 0.00 -1.25 -1.92 105.19 110.21 1xoi n GLY 607 Ca -0.13 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 1xoi n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xoi s LYS 608 N -2.90 3.61 -0.03 1.61 1.02 -1.26 -4.63 119.74 117.16 1xoi s LYS 608 Ca 0.00 -0.08 0.02 0.00 0.02 0.00 0.00 55.97 55.92 1xoi s LYS 608 Cb 0.00 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 1xoi s LYS 608 CO 0.00 0.52 -0.05 0.00 -0.92 0.00 0.00 175.35 174.90 1xoi s ALA 609 N -1.55 3.07 0.33 5.17 0.00 -1.26 -1.56 121.76 125.96 1xoi s ALA 609 Ca 0.37 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1xoi s ALA 609 Cb -0.13 -1.24 -0.11 0.00 0.00 0.00 0.00 23.12 21.65 1xoi s ALA 609 CO 0.23 0.60 1.45 0.00 0.00 0.00 0.00 175.76 178.03 1xoi s ALA 610 N -0.92 3.59 0.33 0.00 0.00 -1.26 -4.87 121.76 118.63 1xoi s ALA 610 Ca 0.15 1.45 0.12 0.00 0.00 0.00 0.00 51.96 53.69 1xoi s ALA 610 Cb -0.11 -3.57 1.03 0.00 0.00 0.00 0.00 23.12 20.47 1xoi s ALA 610 CO 0.05 -0.89 1.65 -1.35 0.00 0.00 0.00 175.76 175.22 1xoi h PRO 611 N 3.68 0.25 -0.66 0.00 0.11 -1.98 -0.91 132.00 132.49 1xoi h PRO 611 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xoi h PRO 611 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xoi h PRO 611 CO 0.69 0.16 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 1xoi n GLY 612 N -1.31 2.64 3.40 -0.55 0.00 -1.26 -4.79 105.19 103.32 1xoi n GLY 612 Ca 0.30 -0.83 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 1xoi n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xoi s TYR 613 N -1.83 3.47 0.14 1.61 6.14 -0.35 -4.93 117.35 121.60 1xoi s TYR 613 Ca 0.50 -1.77 -0.25 0.00 0.64 0.00 0.00 57.07 56.19 1xoi s TYR 613 Cb 0.32 -4.09 -0.00 0.00 0.42 0.00 0.00 41.96 38.61 1xoi s TYR 613 CO 0.24 -1.27 1.61 1.25 0.64 0.00 0.00 175.55 178.03 1xoi h HIS 614 N 8.14 -0.89 -0.86 4.97 -0.00 -1.86 -2.35 115.15 122.30 1xoi h HIS 614 Ca 0.16 0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.61 1xoi h HIS 614 Cb 1.00 0.42 -0.05 0.00 -0.00 0.00 0.00 27.41 28.78 1xoi h HIS 614 CO 1.09 -0.39 0.57 0.52 -0.00 0.00 0.00 177.93 179.71 1xoi h MET 615 N -0.36 1.02 -0.75 5.26 2.07 -1.99 -1.79 114.93 118.39 1xoi h MET 615 Ca 0.11 -0.06 -0.02 0.00 -2.07 0.00 0.00 59.70 57.66 1xoi h MET 615 Cb 0.54 -0.23 -0.03 0.00 -1.87 0.00 0.00 31.60 30.01 1xoi h MET 615 CO -0.39 0.68 0.39 0.00 1.07 0.00 0.00 176.91 178.66 1xoi h ALA 616 N 1.50 0.96 -0.30 6.32 0.00 -1.82 -0.74 119.26 125.19 1xoi h ALA 616 Ca 0.35 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1xoi h ALA 616 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xoi h ALA 616 CO -0.11 0.49 -0.20 0.87 0.00 0.00 0.00 179.25 180.31 1xoi h LYS 617 N 1.04 0.55 -0.43 0.00 1.57 -0.87 -2.29 116.57 116.14 1xoi h LYS 617 Ca 0.26 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1xoi h LYS 617 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xoi h LYS 617 CO -0.04 0.72 -0.07 0.52 -0.57 0.00 0.00 179.45 180.01 1xoi h MET 618 N 0.49 0.80 -0.61 3.15 2.86 -0.91 -2.48 114.93 118.23 1xoi h MET 618 Ca 0.08 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1xoi h MET 618 Cb 0.62 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1xoi h MET 618 CO 0.04 0.90 0.40 0.82 1.06 0.00 0.00 176.91 180.13 1xoi h ILE 619 N 0.63 1.16 0.02 -1.22 2.04 -0.86 0.15 117.51 119.43 1xoi h ILE 619 Ca 0.11 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1xoi h ILE 619 Cb 0.59 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1xoi h ILE 619 CO 0.04 0.16 -0.01 0.40 0.00 0.00 0.00 178.15 178.74 1xoi h ILE 620 N 0.83 1.18 -0.25 -0.67 2.04 -1.21 -1.53 117.51 117.91 1xoi h ILE 620 Ca 0.22 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1xoi h ILE 620 Cb -0.08 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1xoi h ILE 620 CO -0.05 0.15 0.14 0.50 0.00 0.00 0.00 178.15 178.90 1xoi h LYS 621 N -0.29 0.34 0.32 2.37 3.11 -0.98 0.12 116.57 121.56 1xoi h LYS 621 Ca -0.00 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 1xoi h LYS 621 Cb 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 1xoi h LYS 621 CO 0.00 0.25 -0.15 1.25 -2.81 0.00 0.00 179.45 178.00 1xoi h LEU 622 N 0.35 -0.36 -0.26 5.20 6.46 -0.71 0.16 115.31 126.14 1xoi h LEU 622 Ca 0.09 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1xoi h LEU 622 Cb 0.01 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 1xoi h LEU 622 CO -0.02 -0.13 -0.04 0.40 -0.62 0.00 0.00 178.44 178.04 1xoi h ILE 623 N -0.58 0.77 -0.52 4.05 2.04 -0.54 0.21 117.51 122.94 1xoi h ILE 623 Ca -0.04 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1xoi h ILE 623 Cb 0.42 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1xoi h ILE 623 CO 0.07 0.01 0.16 0.71 0.00 0.00 0.00 178.15 179.10 1xoi h THR 624 N 0.03 1.21 0.33 -0.27 1.35 -0.93 0.27 112.91 114.90 1xoi h THR 624 Ca 0.13 -0.71 -0.02 0.00 -0.55 0.00 0.00 66.41 65.26 1xoi h THR 624 Cb 0.18 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1xoi h THR 624 CO -0.25 0.27 -0.16 0.28 -0.25 0.00 0.00 175.52 175.41 1xoi h SER 625 N 0.75 -0.38 -0.72 5.36 0.02 0.40 -1.54 113.55 117.45 1xoi h SER 625 Ca 0.17 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1xoi h SER 625 Cb 0.22 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1xoi h SER 625 CO -0.01 -0.17 0.41 0.58 -1.14 0.00 0.00 176.83 176.50 1xoi h VAL 626 N -0.57 0.97 -0.66 2.27 2.07 -0.39 -2.29 116.25 117.65 1xoi h VAL 626 Ca -0.05 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1xoi h VAL 626 Cb 0.42 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1xoi h VAL 626 CO 0.07 0.13 0.42 0.00 0.02 0.00 0.00 177.57 178.22 1xoi h ALA 627 N 1.37 0.86 -0.91 1.67 0.00 -0.75 0.39 119.26 121.88 1xoi h ALA 627 Ca 0.33 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1xoi h ALA 627 Cb 0.21 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1xoi h ALA 627 CO -0.19 0.21 0.60 -0.44 0.00 0.00 0.00 179.25 179.42 1xoi h ASP 628 N 0.84 1.00 0.04 0.00 3.32 -0.70 0.17 116.42 121.09 1xoi h ASP 628 Ca 0.26 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1xoi h ASP 628 Cb -0.02 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1xoi h ASP 628 CO -0.09 0.70 -0.02 0.58 -1.72 0.00 0.00 179.24 178.69 1xoi h VAL 629 N 1.17 1.23 0.14 -1.35 2.07 -1.19 -2.95 116.25 115.37 1xoi h VAL 629 Ca 0.36 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1xoi h VAL 629 Cb -0.03 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1xoi h VAL 629 CO -0.11 0.23 -0.08 0.58 0.02 0.00 0.00 177.57 178.22 1xoi h VAL 630 N -0.47 0.84 0.00 2.57 2.07 -0.60 -2.00 116.25 118.66 1xoi h VAL 630 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1xoi h VAL 630 Cb 0.43 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1xoi h VAL 630 CO 0.01 0.00 -0.10 0.78 0.02 0.00 0.00 177.57 178.28 1xoi h ASN 631 N -0.20 0.00 -0.08 0.57 2.35 -0.79 -3.10 115.58 114.33 1xoi h ASN 631 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xoi h ASN 631 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1xoi h ASN 631 CO 0.02 0.10 0.00 0.59 -1.65 0.00 0.00 177.43 176.50 1xoi n ASN 632 N -3.53 2.54 -4.57 5.81 3.02 -1.11 -4.88 115.26 112.54 1xoi n ASN 632 Ca -0.02 -1.74 -0.43 0.00 -0.03 0.00 0.00 54.58 52.36 1xoi n ASN 632 Cb 0.24 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 1xoi n ASN 632 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xoi s ASP 633 N -1.36 6.48 0.40 6.41 3.68 -0.76 -4.91 116.67 126.60 1xoi s ASP 633 Ca 0.22 0.09 0.22 0.00 2.13 0.00 0.00 52.55 55.21 1xoi s ASP 633 Cb 0.15 -2.49 1.23 0.00 -1.45 0.00 0.00 42.92 40.35 1xoi s ASP 633 CO 0.22 -1.24 1.68 -0.65 0.13 0.00 0.00 175.17 175.31 1xoi h PRO 634 N 9.27 0.24 -0.09 4.34 0.11 -1.90 -0.86 132.00 143.11 1xoi h PRO 634 Ca -0.24 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.73 1xoi h PRO 634 Cb 1.07 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1xoi h PRO 634 CO 1.10 0.16 -0.47 1.98 -0.21 0.00 0.00 178.00 180.55 1xoi h MET 635 N 0.25 0.21 0.23 1.05 4.05 -1.97 -3.15 114.93 115.60 1xoi h MET 635 Ca 0.73 -0.11 -0.33 0.00 -0.28 0.00 0.00 59.70 59.71 1xoi h MET 635 Cb 1.98 0.01 0.03 0.00 -0.80 0.00 0.00 31.60 32.82 1xoi h MET 635 CO -0.45 0.65 -1.50 -0.39 0.23 0.00 0.00 176.91 175.45 1xoi h VAL 636 N 0.17 1.20 0.00 -5.77 -1.51 -1.52 -3.48 116.25 105.35 1xoi h VAL 636 Ca 0.01 -2.63 0.00 0.00 -1.23 0.00 0.00 66.70 62.85 1xoi h VAL 636 Cb 0.91 2.98 0.00 0.00 -2.13 0.00 0.00 31.29 33.04 1xoi h VAL 636 CO 0.07 0.81 0.00 0.61 -1.23 0.00 0.00 177.57 177.83 1xoi n GLY 637 N 1.75 2.60 0.00 5.19 0.00 -0.81 -0.60 105.19 113.33 1xoi n GLY 637 Ca -0.19 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.84 1xoi n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xoi n SER 638 N 1.34 0.00 -0.02 1.61 3.41 -1.26 -3.45 113.62 115.26 1xoi n SER 638 Ca 0.00 -1.04 -0.07 0.00 -0.26 0.00 0.00 58.87 57.50 1xoi n SER 638 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 1xoi n SER 638 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xoi h LYS 639 N 0.00 0.59 -2.51 4.33 1.57 -1.22 -3.45 116.57 115.88 1xoi h LYS 639 Ca 0.00 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1xoi h LYS 639 Cb 0.00 -0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.05 1xoi h LYS 639 CO 0.00 0.87 -0.23 -1.17 -0.57 0.00 0.00 179.45 178.35 1xoi s LEU 640 N -8.59 -0.26 -0.02 2.94 2.96 -1.22 -2.38 118.68 112.11 1xoi s LEU 640 Ca -0.08 1.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1xoi s LEU 640 Cb 0.13 1.57 -0.01 0.00 0.50 0.00 0.00 46.19 48.38 1xoi s LEU 640 CO 0.82 -0.20 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.97 1xoi s LYS 641 N 1.40 1.30 -0.09 1.98 -0.14 -0.75 -4.62 119.74 118.83 1xoi s LYS 641 Ca -0.09 -0.51 0.04 0.00 -1.36 0.00 0.00 55.97 54.04 1xoi s LYS 641 Cb -0.08 -1.22 0.00 0.00 -1.68 0.00 0.00 37.83 34.86 1xoi s LYS 641 CO -0.14 0.27 -0.23 0.08 -0.76 0.00 0.00 175.35 174.57 1xoi s VAL 642 N -0.16 1.99 -0.05 3.17 1.01 -1.26 0.32 120.40 125.41 1xoi s VAL 642 Ca 0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1xoi s VAL 642 Cb -0.08 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1xoi s VAL 642 CO 0.00 0.54 -0.08 -0.63 0.00 0.00 0.00 175.10 174.93 1xoi s ILE 643 N 0.33 0.82 -0.50 2.22 -1.09 0.16 -4.85 121.20 118.30 1xoi s ILE 643 Ca -0.18 -0.31 -0.18 0.00 -2.23 0.00 0.00 60.65 57.75 1xoi s ILE 643 Cb -0.18 -0.77 0.06 0.00 -1.58 0.00 0.00 42.46 39.99 1xoi s ILE 643 CO 0.08 0.28 0.56 0.12 -1.23 0.00 0.00 174.94 174.75 1xoi s PHE 644 N 0.67 3.10 -0.31 3.97 5.36 -1.26 -1.56 117.98 127.95 1xoi s PHE 644 Ca -0.11 -0.63 -0.28 0.00 -0.96 0.00 0.00 56.93 54.94 1xoi s PHE 644 Cb -0.14 -3.43 -0.02 0.00 -0.34 0.00 0.00 43.02 39.09 1xoi s PHE 644 CO 0.02 -0.97 1.84 -1.17 -1.46 0.00 0.00 175.22 173.48 1xoi s LEU 645 N 2.37 3.52 0.43 6.12 0.20 -0.26 -4.95 118.68 126.11 1xoi s LEU 645 Ca 0.12 1.40 -0.22 0.00 0.69 0.00 0.00 54.13 56.12 1xoi s LEU 645 Cb -0.20 -3.52 -0.09 0.00 -0.43 0.00 0.00 46.19 41.94 1xoi s LEU 645 CO 0.11 -1.71 1.02 -1.61 -0.29 0.00 0.00 176.35 173.87 1xoi s GLU 646 N 5.68 4.07 -1.45 1.98 2.02 -1.26 -3.82 118.70 125.91 1xoi s GLU 646 Ca 0.82 1.36 -0.08 0.00 0.02 0.00 0.00 54.97 57.09 1xoi s GLU 646 Cb -0.24 -2.32 0.05 0.00 0.10 0.00 0.00 34.13 31.72 1xoi s GLU 646 CO 0.34 -0.20 0.84 -1.71 0.02 0.00 0.00 175.26 174.55 1xoi n ASN 647 N -0.47 -3.14 -4.68 -0.19 5.15 -1.24 -4.88 115.26 105.81 1xoi n ASN 647 Ca 0.07 -0.82 -0.46 0.00 -0.60 0.00 0.00 54.58 52.77 1xoi n ASN 647 Cb 0.52 -3.85 -0.04 0.00 -0.53 0.00 0.00 39.78 35.88 1xoi n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xoi n TYR 648 N -4.51 2.38 -3.91 1.20 9.36 -1.26 -4.87 117.16 115.56 1xoi n TYR 648 Ca -0.10 0.08 -0.08 0.00 3.32 0.00 0.00 57.90 61.12 1xoi n TYR 648 Cb 0.59 -2.63 -0.02 0.00 -0.63 0.00 0.00 39.34 36.65 1xoi n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1xoi s ARG 649 N 2.28 1.80 0.17 2.98 1.70 -1.26 -4.71 118.95 121.91 1xoi s ARG 649 Ca 0.84 -1.18 -0.26 0.00 -0.47 0.00 0.00 55.73 54.66 1xoi s ARG 649 Cb -0.63 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.35 1xoi s ARG 649 CO 0.42 -0.80 1.57 0.28 -1.08 0.00 0.00 175.30 175.68 1xoi h VAL 650 N 2.08 0.09 -0.32 4.99 2.07 -1.94 0.21 116.25 123.43 1xoi h VAL 650 Ca -0.24 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1xoi h VAL 650 Cb 1.25 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1xoi h VAL 650 CO 0.30 0.00 0.21 0.77 0.02 0.00 0.00 177.57 178.88 1xoi h SER 651 N -0.24 0.34 0.38 0.57 4.64 -1.95 -1.29 113.55 116.00 1xoi h SER 651 Ca 0.18 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.27 1xoi h SER 651 Cb 0.56 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1xoi h SER 651 CO -0.67 0.24 -0.93 0.25 -0.87 0.00 0.00 176.83 174.85 1xoi h LEU 652 N 0.39 0.48 -1.07 5.97 6.46 -1.52 -3.14 115.31 122.89 1xoi h LEU 652 Ca 0.12 -0.39 0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1xoi h LEU 652 Cb 0.02 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 39.75 1xoi h LEU 652 CO -0.03 1.18 0.63 0.00 -0.62 0.00 0.00 178.44 179.61 1xoi h ALA 653 N 0.78 1.33 0.00 1.25 0.00 0.43 -0.41 119.26 122.65 1xoi h ALA 653 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xoi h ALA 653 Cb 1.56 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xoi h ALA 653 CO 0.16 0.62 0.00 0.93 0.00 0.00 0.00 179.25 180.96 1xoi h GLU 654 N 1.28 0.00 0.00 0.00 5.08 -1.25 -1.99 114.58 117.70 1xoi h GLU 654 Ca 0.35 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.49 1xoi h GLU 654 Cb -0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1xoi h GLU 654 CO -0.08 0.00 -1.33 1.63 -1.00 0.00 0.00 179.01 178.23 1xoi n LYS 655 N -3.01 0.54 -0.09 2.33 5.02 -0.26 -4.47 118.16 118.22 1xoi n LYS 655 Ca -0.02 0.49 -0.14 0.00 -2.02 0.00 0.00 58.31 56.62 1xoi n LYS 655 Cb 0.14 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.43 1xoi n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1xoi h VAL 656 N -1.00 1.29 -0.39 -0.18 3.04 -1.23 -3.33 116.25 114.45 1xoi h VAL 656 Ca -0.33 -1.58 0.07 0.00 -1.01 0.00 0.00 66.70 63.86 1xoi h VAL 656 Cb 1.19 1.58 -0.07 0.00 -2.01 0.00 0.00 31.29 31.98 1xoi h VAL 656 CO -0.20 0.51 -0.04 0.40 -1.01 0.00 0.00 177.57 177.24 1xoi h ILE 657 N 0.58 0.67 0.00 3.17 2.04 -1.61 -1.53 117.51 120.81 1xoi h ILE 657 Ca 0.04 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1xoi h ILE 657 Cb 0.99 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1xoi h ILE 657 CO 0.09 0.01 0.00 -0.65 0.00 0.00 0.00 178.15 177.61 1xoi h PRO 658 N 0.06 0.00 -0.70 2.37 0.11 -1.78 -2.05 132.00 130.01 1xoi h PRO 658 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1xoi h PRO 658 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1xoi h PRO 658 CO -0.35 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.44 1xoi n ALA 659 N -2.06 2.39 -2.40 -0.75 0.00 -0.59 -4.71 120.51 112.39 1xoi n ALA 659 Ca -0.02 -1.24 -0.37 0.00 0.00 0.00 0.00 53.44 51.81 1xoi n ALA 659 Cb 0.11 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1xoi n ALA 659 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xoi s THR 660 N -1.07 4.90 -0.20 0.00 2.01 -0.77 -4.59 115.64 115.91 1xoi s THR 660 Ca 0.47 0.93 0.03 0.00 0.31 0.00 0.00 61.69 63.43 1xoi s THR 660 Cb 0.25 -3.77 -0.14 0.00 0.01 0.00 0.00 72.50 68.84 1xoi s THR 660 CO 0.32 0.47 -0.16 0.47 -0.69 0.00 0.00 174.62 175.03 1xoi n ASP 661 N 1.46 2.27 -3.91 3.53 8.00 -0.64 -4.11 116.55 123.14 1xoi n ASP 661 Ca -0.10 -0.10 -0.26 0.00 0.71 0.00 0.00 54.79 55.03 1xoi n ASP 661 Cb 0.52 -0.21 -0.17 0.00 -0.02 0.00 0.00 41.12 41.24 1xoi n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xoi s LEU 662 N -6.11 1.21 -0.26 0.64 1.98 -0.41 -0.85 118.68 114.88 1xoi s LEU 662 Ca -0.26 -0.29 -0.13 0.00 -2.89 0.00 0.00 54.13 50.56 1xoi s LEU 662 Cb 0.07 -0.82 -0.04 0.00 0.66 0.00 0.00 46.19 46.06 1xoi s LEU 662 CO 0.49 -0.11 0.27 -0.55 -1.89 0.00 0.00 176.35 174.57 1xoi s SER 663 N 1.60 6.17 -0.32 3.68 0.15 0.11 -0.76 113.70 124.34 1xoi s SER 663 Ca 0.03 0.19 -0.22 0.00 0.70 0.00 0.00 55.95 56.65 1xoi s SER 663 Cb -0.13 -2.16 -0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1xoi s SER 663 CO -0.07 -0.07 0.71 -1.61 1.20 0.00 0.00 173.24 173.39 1xoi s GLU 664 N 1.66 3.87 -0.46 5.44 0.41 0.04 -1.16 118.70 128.49 1xoi s GLU 664 Ca 0.11 0.36 0.06 0.00 -0.41 0.00 0.00 54.97 55.10 1xoi s GLU 664 Cb -0.15 -3.75 0.21 0.00 -1.78 0.00 0.00 34.13 28.66 1xoi s GLU 664 CO 0.09 -0.67 0.48 1.04 -0.49 0.00 0.00 175.26 175.71 1xoi n GLN 665 N 6.09 0.87 -1.54 1.61 1.13 -0.63 -4.75 117.38 120.16 1xoi n GLN 665 Ca 0.01 -3.52 -0.23 0.00 -1.94 0.00 0.00 57.00 51.33 1xoi n GLN 665 Cb 0.48 -1.61 0.08 0.00 0.11 0.00 0.00 30.24 29.30 1xoi n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1xoi n ILE 666 N 1.89 2.85 -1.91 5.09 -5.35 -1.26 -2.71 119.36 117.96 1xoi n ILE 666 Ca 0.25 -3.51 -0.34 0.00 -0.27 0.00 0.00 62.75 58.88 1xoi n ILE 666 Cb 0.48 -0.95 0.04 0.00 -1.74 0.00 0.00 39.64 37.47 1xoi n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xoi s SER 667 N -2.84 5.17 0.18 7.28 1.04 -1.25 -4.67 113.70 118.61 1xoi s SER 667 Ca 0.53 2.19 -0.32 0.00 0.48 0.00 0.00 55.95 58.84 1xoi s SER 667 Cb 0.44 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.87 1xoi s SER 667 CO 0.02 -1.60 1.67 -0.89 0.98 0.00 0.00 173.24 173.42 1xoi s THR 668 N -1.95 2.30 -0.11 2.02 2.01 -1.10 -4.66 115.64 114.15 1xoi s THR 668 Ca 0.72 0.19 -0.40 0.00 0.31 0.00 0.00 61.69 62.52 1xoi s THR 668 Cb -0.25 -3.12 -0.17 0.00 0.01 0.00 0.00 72.50 68.96 1xoi s THR 668 CO 0.36 0.01 1.44 0.00 -0.69 0.00 0.00 174.62 175.74 1xoi n ALA 669 N 4.11 -1.32 -0.12 7.40 0.00 -1.26 -1.04 120.51 128.28 1xoi n ALA 669 Ca 0.15 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1xoi n ALA 669 Cb 0.37 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1xoi n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xoi n GLY 670 N 2.98 0.55 0.09 0.00 0.00 -1.26 -4.69 105.19 102.87 1xoi n GLY 670 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1xoi n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xoi n THR 671 N -2.00 1.24 -3.03 2.61 -2.24 -0.20 -4.84 114.28 105.82 1xoi n THR 671 Ca 0.00 -0.68 -0.44 0.00 -2.27 0.00 0.00 64.05 60.65 1xoi n THR 671 Cb 0.00 -0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 1xoi n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1xoi s GLU 672 N -2.44 3.07 0.29 -0.78 2.56 -1.26 -4.78 118.70 115.36 1xoi s GLU 672 Ca -0.15 -1.17 0.00 0.00 0.00 0.00 0.00 54.97 53.66 1xoi s GLU 672 Cb 0.06 -4.26 0.69 0.00 2.00 0.00 0.00 34.13 32.62 1xoi s GLU 672 CO 0.67 -1.63 1.59 0.00 -0.56 0.00 0.00 175.26 175.33 1xoi h ALA 673 N 9.31 1.12 0.00 6.30 0.00 -1.88 -2.71 119.26 131.40 1xoi h ALA 673 Ca -0.29 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xoi h ALA 673 Cb 1.08 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1xoi h ALA 673 CO 1.13 -0.53 0.00 0.45 0.00 0.00 0.00 179.25 180.30 1xoi n SER 674 N -5.43 -1.59 0.00 0.00 2.88 -1.26 -4.34 113.62 103.87 1xoi n SER 674 Ca 0.21 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1xoi n SER 674 Cb 0.70 1.63 0.00 0.00 -0.75 0.00 0.00 64.21 65.79 1xoi n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xoi n GLY 675 N 0.22 -1.48 0.00 0.46 0.00 -1.26 -0.68 105.19 102.45 1xoi n GLY 675 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1xoi n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xoi n THR 676 N -0.58 0.00 -0.22 2.61 -2.24 -1.26 -4.72 114.28 107.87 1xoi n THR 676 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1xoi n THR 676 Cb 0.00 -0.03 0.25 0.00 -2.10 0.00 0.00 70.33 68.45 1xoi n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xoi h GLY 677 N 0.00 1.08 0.56 3.38 0.00 -1.94 -0.69 103.07 105.46 1xoi h GLY 677 Ca 0.00 -0.40 0.12 0.00 0.00 0.00 0.00 47.33 47.05 1xoi h GLY 677 CO 0.00 0.38 0.61 3.45 0.00 0.00 0.00 176.54 180.98 1xoi h ASN 678 N 1.02 0.84 -0.35 0.19 -1.07 -1.94 -1.23 115.58 113.04 1xoi h ASN 678 Ca 0.29 0.04 -0.13 0.00 0.07 0.00 0.00 56.30 56.56 1xoi h ASN 678 Cb -0.09 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 36.02 1xoi h ASN 678 CO -0.07 0.46 -0.28 0.24 0.07 0.00 0.00 177.43 177.85 1xoi h MET 679 N 0.91 0.87 -0.32 4.14 2.86 -1.44 -2.55 114.93 119.40 1xoi h MET 679 Ca 0.46 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1xoi h MET 679 Cb 0.50 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1xoi h MET 679 CO -0.22 1.04 0.08 0.87 1.06 0.00 0.00 176.91 179.73 1xoi h LYS 680 N 0.74 0.51 -0.71 1.72 1.57 -0.83 -0.83 116.57 118.74 1xoi h LYS 680 Ca 0.09 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1xoi h LYS 680 Cb 0.84 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1xoi h LYS 680 CO 0.07 0.58 0.38 0.74 -0.57 0.00 0.00 179.45 180.65 1xoi h PHE 681 N 0.35 0.98 -0.72 -1.35 0.04 -1.36 -1.35 116.94 113.53 1xoi h PHE 681 Ca 0.10 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1xoi h PHE 681 Cb 0.30 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 1xoi h PHE 681 CO 0.02 0.70 0.36 1.98 -0.60 0.00 0.00 178.31 180.77 1xoi h MET 682 N 0.98 1.03 0.00 1.51 4.05 -1.22 -2.12 114.93 119.16 1xoi h MET 682 Ca 0.25 -0.14 -0.06 0.00 -0.28 0.00 0.00 59.70 59.46 1xoi h MET 682 Cb 0.05 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1xoi h MET 682 CO -0.04 0.80 -0.31 1.25 0.23 0.00 0.00 176.91 178.84 1xoi h LEU 683 N 1.00 0.00 -2.67 3.39 6.46 -0.82 -3.26 115.31 119.41 1xoi h LEU 683 Ca 0.25 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1xoi h LEU 683 Cb 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1xoi h LEU 683 CO -0.03 0.31 0.00 0.59 -0.62 0.00 0.00 178.44 178.68 1xoi n ASN 684 N -3.71 4.05 0.00 1.25 3.02 -0.54 -4.92 115.26 114.41 1xoi n ASN 684 Ca -0.01 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 1xoi n ASN 684 Cb 0.41 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1xoi n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xoi n GLY 685 N 1.12 0.78 3.69 7.41 0.00 -1.15 -4.81 105.19 112.22 1xoi n GLY 685 Ca 0.22 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1xoi n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xoi s ALA 686 N -2.00 3.27 0.09 4.61 0.00 -0.85 -4.81 121.76 122.07 1xoi s ALA 686 Ca 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 1xoi s ALA 686 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1xoi s ALA 686 CO 0.00 0.59 0.37 -0.51 0.00 0.00 0.00 175.76 176.20 1xoi s LEU 687 N -2.66 4.32 -0.14 0.00 1.43 -0.03 -4.39 118.68 117.20 1xoi s LEU 687 Ca 0.27 0.66 -0.07 0.00 -1.03 0.00 0.00 54.13 53.96 1xoi s LEU 687 Cb -0.10 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 1xoi s LEU 687 CO 0.19 0.13 0.10 -0.89 0.23 0.00 0.00 176.35 176.11 1xoi s THR 688 N -1.49 5.13 -0.19 5.49 2.01 -1.26 0.09 115.64 125.43 1xoi s THR 688 Ca 0.35 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.43 1xoi s THR 688 Cb -0.13 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 69.13 1xoi s THR 688 CO 0.21 0.55 -0.16 -0.51 -0.69 0.00 0.00 174.62 174.02 1xoi s ILE 689 N -0.47 2.40 0.04 1.82 2.07 -0.31 -0.61 121.20 126.13 1xoi s ILE 689 Ca 0.11 -0.83 -0.28 0.00 -1.41 0.00 0.00 60.65 58.24 1xoi s ILE 689 Cb -0.12 -2.03 0.10 0.00 0.13 0.00 0.00 42.46 40.54 1xoi s ILE 689 CO 0.02 0.51 1.21 -0.83 -1.91 0.00 0.00 174.94 173.94 1xoi s GLY 690 N 1.28 -0.18 0.53 1.50 0.00 -0.25 -1.60 107.32 108.60 1xoi s GLY 690 Ca 0.04 0.19 -0.03 0.00 0.00 0.00 0.00 44.72 44.91 1xoi s GLY 690 CO -0.09 2.73 0.81 -0.51 0.00 0.00 0.00 173.10 176.03 1xoi s THR 691 N -2.28 3.75 -1.30 0.90 -4.23 -1.10 -1.70 115.64 109.68 1xoi s THR 691 Ca 0.22 -0.22 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 1xoi s THR 691 Cb 0.01 -3.45 0.08 0.00 1.34 0.00 0.00 72.50 70.48 1xoi s THR 691 CO -0.00 -0.40 1.74 0.80 -0.54 0.00 0.00 174.62 176.22 1xoi n MET 692 N -2.38 3.20 -3.97 3.99 1.56 -1.26 -4.70 117.12 113.56 1xoi n MET 692 Ca 0.03 -3.30 -0.09 0.00 -0.27 0.00 0.00 57.70 54.08 1xoi n MET 692 Cb 0.58 -3.46 -0.11 0.00 2.15 0.00 0.00 33.22 32.38 1xoi n MET 692 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1xoi s ASP 693 N 4.08 0.23 0.67 6.12 3.68 -1.26 -4.62 116.67 125.58 1xoi s ASP 693 Ca 0.53 -0.52 0.00 0.00 2.13 0.00 0.00 52.55 54.69 1xoi s ASP 693 Cb 0.04 0.14 0.00 0.00 -1.45 0.00 0.00 42.92 41.65 1xoi s ASP 693 CO 0.07 -0.37 0.00 0.61 0.13 0.00 0.00 175.17 175.61 1xoi n GLY 694 N 1.31 2.39 0.00 2.66 0.00 -1.02 -1.27 105.19 109.26 1xoi n GLY 694 Ca -0.22 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.61 1xoi n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xoi n ALA 695 N 7.68 2.18 -0.34 4.61 0.00 0.15 -3.22 120.51 131.57 1xoi n ALA 695 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.40 1xoi n ALA 695 Cb 0.00 -1.39 0.24 0.00 0.00 0.00 0.00 19.45 18.30 1xoi n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xoi h ASN 696 N 0.00 0.92 -0.61 0.00 2.35 -1.38 -0.15 115.58 116.71 1xoi h ASN 696 Ca 0.00 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1xoi h ASN 696 Cb 0.27 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1xoi h ASN 696 CO 0.00 0.53 0.40 0.58 -1.65 0.00 0.00 177.43 177.30 1xoi h VAL 697 N 1.01 1.15 0.00 2.81 2.07 -1.64 -0.71 116.25 120.95 1xoi h VAL 697 Ca 0.46 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 1xoi h VAL 697 Cb 0.39 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1xoi h VAL 697 CO -0.22 0.15 -0.33 -0.33 0.02 0.00 0.00 177.57 176.87 1xoi h GLU 698 N 0.82 0.00 -0.42 1.57 5.08 -1.49 -0.30 114.58 119.85 1xoi h GLU 698 Ca 0.22 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1xoi h GLU 698 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1xoi h GLU 698 CO -0.05 0.33 -0.26 0.52 -1.00 0.00 0.00 179.01 178.54 1xoi h MET 699 N 0.00 0.92 -0.50 2.33 2.86 -0.39 -0.09 114.93 120.06 1xoi h MET 699 Ca -0.00 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.15 1xoi h MET 699 Cb 0.93 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1xoi h MET 699 CO 0.04 1.09 0.07 0.00 1.06 0.00 0.00 176.91 179.17 1xoi h ALA 700 N 0.82 0.67 -0.15 6.32 0.00 -0.77 -1.29 119.26 124.85 1xoi h ALA 700 Ca 0.09 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xoi h ALA 700 Cb 0.84 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xoi h ALA 700 CO 0.07 0.41 0.04 0.93 0.00 0.00 0.00 179.25 180.71 1xoi h GLU 701 N 0.71 0.11 -0.11 0.00 5.08 -0.78 0.24 114.58 119.83 1xoi h GLU 701 Ca 0.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1xoi h GLU 701 Cb 0.41 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xoi h GLU 701 CO 0.01 0.07 0.02 0.93 -1.00 0.00 0.00 179.01 179.04 1xoi h GLU 702 N 0.11 0.18 -0.01 2.33 4.39 -0.84 -3.29 114.58 117.44 1xoi h GLU 702 Ca 0.07 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1xoi h GLU 702 Cb 0.05 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1xoi h GLU 702 CO -0.08 0.39 -0.27 0.00 -1.16 0.00 0.00 179.01 177.89 1xoi n ALA 703 N -2.27 3.11 -0.04 3.43 0.00 -0.50 -4.87 120.51 119.37 1xoi n ALA 703 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1xoi n ALA 703 Cb 0.17 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1xoi n ALA 703 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xoi n GLY 704 N 1.35 -0.31 0.36 0.00 0.00 0.82 -4.52 105.19 102.87 1xoi n GLY 704 Ca 0.12 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 45.07 1xoi n GLY 704 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xoi h GLU 705 N 0.00 0.42 0.00 1.61 4.81 -1.83 -0.60 114.58 118.99 1xoi h GLU 705 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xoi h GLU 705 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1xoi h GLU 705 CO 0.00 0.28 0.00 -0.85 -0.73 0.00 0.00 179.01 177.71 1xoi n GLU 706 N -4.47 0.04 -0.37 1.92 0.00 -1.26 -2.16 120.64 114.35 1xoi n GLU 706 Ca 0.10 0.20 0.09 0.00 0.00 0.00 0.00 57.16 57.55 1xoi n GLU 706 Cb 0.38 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.60 1xoi n GLU 706 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1xoi n ASN 707 N -1.46 3.45 -4.01 -1.84 3.02 -0.23 -4.85 115.26 109.34 1xoi n ASN 707 Ca 0.05 -2.11 -0.13 0.00 -0.03 0.00 0.00 54.58 52.36 1xoi n ASN 707 Cb 0.18 -0.44 -0.12 0.00 -0.61 0.00 0.00 39.78 38.79 1xoi n ASN 707 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xoi s LEU 708 N -1.17 2.18 -1.16 3.41 1.02 -0.92 -4.76 118.68 117.28 1xoi s LEU 708 Ca 0.41 -0.40 -0.13 0.00 0.02 0.00 0.00 54.13 54.03 1xoi s LEU 708 Cb 0.23 -0.14 0.20 0.00 0.02 0.00 0.00 46.19 46.50 1xoi s LEU 708 CO 0.25 -0.14 1.32 -0.36 0.02 0.00 0.00 176.35 177.44 1xoi s PHE 709 N -1.02 3.70 0.32 0.29 0.40 0.22 -4.96 117.98 116.95 1xoi s PHE 709 Ca -0.07 -2.25 -0.20 0.00 -0.60 0.00 0.00 56.93 53.80 1xoi s PHE 709 Cb -0.08 -4.17 -0.09 0.00 0.51 0.00 0.00 43.02 39.19 1xoi s PHE 709 CO 0.00 -1.27 0.83 0.42 0.70 0.00 0.00 175.22 175.90 1xoi s ILE 710 N 0.82 4.48 0.33 0.64 -1.09 -1.25 -1.09 121.20 124.04 1xoi s ILE 710 Ca 0.39 1.36 -0.17 0.00 -2.23 0.00 0.00 60.65 59.99 1xoi s ILE 710 Cb -0.05 -3.75 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1xoi s ILE 710 CO -0.03 -0.05 0.73 0.72 -1.23 0.00 0.00 174.94 175.08 1xoi s PHE 711 N -1.84 0.05 0.09 3.97 -0.12 -0.69 -4.91 117.98 114.53 1xoi s PHE 711 Ca 0.52 -0.60 0.00 0.00 -0.05 0.00 0.00 56.93 56.80 1xoi s PHE 711 Cb -0.13 0.71 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 1xoi s PHE 711 CO 0.19 -1.38 0.00 0.41 -0.05 0.00 0.00 175.22 174.38 1xoi n GLY 712 N -0.49 -1.90 3.76 1.99 0.00 -1.26 -4.26 105.19 103.02 1xoi n GLY 712 Ca -0.06 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 1xoi n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xoi s MET 713 N -0.92 3.32 0.51 1.61 -1.94 -1.26 -4.91 119.30 115.71 1xoi s MET 713 Ca 0.00 2.04 0.07 0.00 -1.71 0.00 0.00 55.69 56.09 1xoi s MET 713 Cb 0.00 -2.27 0.03 0.00 2.01 0.00 0.00 34.83 34.60 1xoi s MET 713 CO 0.00 -0.99 0.50 1.03 -0.01 0.00 0.00 175.02 175.56 1xoi s ARG 714 N -2.89 2.37 0.30 2.03 0.52 -1.26 -4.44 118.95 115.58 1xoi s ARG 714 Ca 0.70 -1.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.19 1xoi s ARG 714 Cb -0.35 -2.34 0.67 0.00 0.52 0.00 0.00 34.95 33.44 1xoi s ARG 714 CO 0.42 -0.54 1.80 0.97 0.02 0.00 0.00 175.30 177.97 1xoi h ILE 715 N 0.68 0.80 -0.22 1.52 2.10 -1.83 -0.61 117.51 119.94 1xoi h ILE 715 Ca -0.36 -0.30 -0.12 0.00 1.08 0.00 0.00 64.86 65.16 1xoi h ILE 715 Cb 1.29 -0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 36.86 1xoi h ILE 715 CO 0.53 0.16 -0.36 0.44 -1.08 0.00 0.00 178.15 177.83 1xoi h ASP 716 N 0.86 0.50 -0.34 2.19 3.32 -1.96 -2.72 116.42 118.28 1xoi h ASP 716 Ca 0.55 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1xoi h ASP 716 Cb 0.73 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1xoi h ASP 716 CO -0.33 0.82 -0.08 0.44 -1.72 0.00 0.00 179.24 178.37 1xoi h ASP 717 N 0.41 0.66 -0.48 6.45 3.32 -1.53 -1.84 116.42 123.40 1xoi h ASP 717 Ca 0.04 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 56.75 1xoi h ASP 717 Cb 0.82 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1xoi h ASP 717 CO 0.07 0.87 0.32 0.58 -1.72 0.00 0.00 179.24 179.35 1xoi h VAL 718 N 0.44 1.08 -0.07 -1.35 2.07 -1.21 -0.75 116.25 116.46 1xoi h VAL 718 Ca 0.09 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1xoi h VAL 718 Cb 0.58 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1xoi h VAL 718 CO 0.03 0.11 -0.03 0.00 0.02 0.00 0.00 177.57 177.70 1xoi h ALA 719 N 1.71 0.10 -0.49 1.67 0.00 -1.20 -1.14 119.26 119.91 1xoi h ALA 719 Ca 0.19 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1xoi h ALA 719 Cb 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xoi h ALA 719 CO -0.04 -0.16 0.24 0.00 0.00 0.00 0.00 179.25 179.28 1xoi h ALA 720 N 0.64 0.62 -0.44 0.00 0.00 -0.81 0.61 119.26 119.87 1xoi h ALA 720 Ca 0.02 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xoi h ALA 720 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1xoi h ALA 720 CO 0.01 -0.11 0.27 1.25 0.00 0.00 0.00 179.25 180.67 1xoi h LEU 721 N 0.47 0.45 -1.13 0.00 5.85 -1.08 0.55 115.31 120.43 1xoi h LEU 721 Ca 0.22 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1xoi h LEU 721 Cb 0.13 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1xoi h LEU 721 CO -0.16 0.32 0.42 0.44 -0.34 0.00 0.00 178.44 179.12 1xoi h ASP 722 N 0.55 0.91 0.73 1.25 3.32 -0.36 0.59 116.42 123.41 1xoi h ASP 722 Ca 0.17 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1xoi h ASP 722 Cb -0.02 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.31 1xoi h ASP 722 CO -0.06 0.72 -0.35 0.50 -1.72 0.00 0.00 179.24 178.33 1xoi h LYS 723 N 1.03 -0.95 -0.40 3.56 3.64 -0.09 -3.02 116.57 120.34 1xoi h LYS 723 Ca 0.26 0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.82 1xoi h LYS 723 Cb 0.01 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1xoi h LYS 723 CO -0.04 -0.63 0.28 -0.22 -2.27 0.00 0.00 179.45 176.57 1xoi h LYS 724 N -1.23 0.04 0.00 1.90 3.64 -0.77 -3.48 116.57 116.67 1xoi h LYS 724 Ca -0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1xoi h LYS 724 Cb 0.76 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1xoi h LYS 724 CO 0.17 0.03 0.00 0.41 -2.27 0.00 0.00 179.45 177.78 1xoi n GLY 725 N -1.60 1.94 3.59 5.01 0.00 0.20 -5.01 105.19 109.32 1xoi n GLY 725 Ca 0.06 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1xoi n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xoi s TYR 726 N 0.00 3.11 -0.63 1.61 5.04 -1.23 -4.87 117.35 120.39 1xoi s TYR 726 Ca 0.00 0.55 -0.00 0.00 -2.44 0.00 0.00 57.07 55.18 1xoi s TYR 726 Cb 0.00 -3.40 0.16 0.00 0.35 0.00 0.00 41.96 39.07 1xoi s TYR 726 CO 0.00 -0.73 0.42 -2.00 -1.34 0.00 0.00 175.55 171.90 1xoi s GLU 727 N 3.10 2.45 0.26 4.97 2.12 -1.26 -4.97 118.70 125.37 1xoi s GLU 727 Ca 0.31 -2.70 -0.02 0.00 0.36 0.00 0.00 54.97 52.92 1xoi s GLU 727 Cb -0.13 -3.60 0.55 0.00 0.26 0.00 0.00 34.13 31.20 1xoi s GLU 727 CO 0.17 -1.17 1.72 0.00 -0.54 0.00 0.00 175.26 175.43 1xoi h ALA 728 N 6.63 1.17 -1.02 6.30 0.00 -1.88 -1.15 119.26 129.31 1xoi h ALA 728 Ca -0.01 0.14 0.27 0.00 0.00 0.00 0.00 54.91 55.31 1xoi h ALA 728 Cb 0.90 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 1xoi h ALA 728 CO 0.72 -0.26 0.61 1.57 0.00 0.00 0.00 179.25 181.89 1xoi h LYS 729 N 0.42 0.48 -0.86 0.00 2.10 -1.90 -1.23 116.57 115.58 1xoi h LYS 729 Ca 0.46 -0.03 0.09 0.00 -2.00 0.00 0.00 60.65 59.18 1xoi h LYS 729 Cb 0.77 -0.11 -0.12 0.00 -0.90 0.00 0.00 32.23 31.87 1xoi h LYS 729 CO -0.46 0.32 -0.53 1.49 -2.00 0.00 0.00 179.45 178.26 1xoi h GLU 730 N 0.49 -0.08 -0.61 0.07 4.81 -1.63 0.62 114.58 118.24 1xoi h GLU 730 Ca 0.66 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.86 1xoi h GLU 730 Cb 1.39 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 1xoi h GLU 730 CO -0.46 -0.06 0.26 1.88 -0.73 0.00 0.00 179.01 179.90 1xoi h TYR 731 N -0.09 0.92 -0.44 0.92 -1.99 -1.39 -2.79 116.97 112.11 1xoi h TYR 731 Ca 0.18 -0.06 0.09 0.00 2.00 0.00 0.00 58.73 60.94 1xoi h TYR 731 Cb 0.49 -0.28 -0.09 0.00 2.00 0.00 0.00 36.73 38.85 1xoi h TYR 731 CO -0.92 0.72 -0.14 -0.92 -0.00 0.00 0.00 178.16 176.90 1xoi h TYR 732 N 0.85 -0.31 0.00 4.88 3.20 -0.76 -1.06 116.97 123.76 1xoi h TYR 732 Ca 0.21 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1xoi h TYR 732 Cb 0.17 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1xoi h TYR 732 CO 0.01 -0.22 0.00 -1.91 -1.64 0.00 0.00 178.16 174.40 1xoi n GLU 733 N -5.35 0.23 -0.00 1.82 4.07 -0.25 -3.67 120.64 117.49 1xoi n GLU 733 Ca 0.03 0.02 0.08 0.00 -0.06 0.00 0.00 57.16 57.23 1xoi n GLU 733 Cb 0.26 -1.50 -0.11 0.00 -0.06 0.00 0.00 31.44 30.03 1xoi n GLU 733 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xoi n ALA 734 N -1.38 3.29 -3.98 4.31 0.00 -0.51 -4.86 120.51 117.38 1xoi n ALA 734 Ca 0.10 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 1xoi n ALA 734 Cb 0.27 -0.56 -0.15 0.00 0.00 0.00 0.00 19.45 19.01 1xoi n ALA 734 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xoi s LEU 735 N -3.45 4.18 0.23 0.00 1.43 -0.57 -5.01 118.68 115.49 1xoi s LEU 735 Ca -0.00 -1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 51.07 1xoi s LEU 735 Cb 0.11 -1.49 0.40 0.00 0.03 0.00 0.00 46.19 45.24 1xoi s LEU 735 CO 0.65 -0.36 1.72 1.55 0.23 0.00 0.00 176.35 180.14 1xoi h PRO 736 N 7.71 0.38 -0.92 1.29 0.13 -1.89 -1.08 132.00 137.62 1xoi h PRO 736 Ca -0.07 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1xoi h PRO 736 Cb 1.02 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.01 1xoi h PRO 736 CO 0.50 0.25 0.60 0.93 -0.23 0.00 0.00 178.00 180.06 1xoi h GLU 737 N 0.39 1.09 -0.32 0.86 5.08 -1.95 -1.44 114.58 118.29 1xoi h GLU 737 Ca 0.38 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1xoi h GLU 737 Cb 0.57 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1xoi h GLU 737 CO -0.40 0.72 -0.25 1.25 -1.00 0.00 0.00 179.01 179.34 1xoi h LEU 738 N 1.12 0.78 -0.17 1.33 5.85 -1.60 -2.72 115.31 119.89 1xoi h LEU 738 Ca 0.38 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1xoi h LEU 738 Cb 0.08 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1xoi h LEU 738 CO -0.13 1.05 -0.12 0.50 -0.34 0.00 0.00 178.44 179.41 1xoi h LYS 739 N 0.50 -0.12 -0.77 1.25 3.64 -0.44 0.11 116.57 120.75 1xoi h LYS 739 Ca 0.06 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1xoi h LYS 739 Cb 0.81 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 1xoi h LYS 739 CO 0.06 -0.08 0.47 1.25 -2.27 0.00 0.00 179.45 178.89 1xoi h LEU 740 N -0.12 0.74 0.42 5.20 5.85 -1.30 0.99 115.31 127.09 1xoi h LEU 740 Ca 0.10 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1xoi h LEU 740 Cb 0.27 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1xoi h LEU 740 CO -0.24 0.49 -0.21 0.58 -0.34 0.00 0.00 178.44 178.72 1xoi h VAL 741 N 0.88 0.57 0.06 1.05 2.07 -0.95 -1.43 116.25 118.50 1xoi h VAL 741 Ca 0.33 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 1xoi h VAL 741 Cb 0.12 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1xoi h VAL 741 CO -0.15 0.00 -0.04 0.40 0.02 0.00 0.00 177.57 177.80 1xoi h ILE 742 N -0.57 0.92 -0.69 4.57 1.08 -0.43 -2.01 117.51 120.39 1xoi h ILE 742 Ca -0.06 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.51 1xoi h ILE 742 Cb 0.44 0.92 -0.07 0.00 -3.07 0.00 0.00 36.82 35.04 1xoi h ILE 742 CO 0.09 0.00 0.31 0.44 -0.69 0.00 0.00 178.15 178.30 1xoi h ASP 743 N -0.09 0.37 -0.54 1.72 3.32 -0.79 0.14 116.42 120.54 1xoi h ASP 743 Ca -0.00 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1xoi h ASP 743 Cb 0.08 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1xoi h ASP 743 CO 0.00 0.20 0.29 1.56 -1.72 0.00 0.00 179.24 179.58 1xoi h GLN 744 N 0.52 0.55 -0.22 3.56 4.20 -0.92 0.28 115.11 123.07 1xoi h GLN 744 Ca 0.35 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1xoi h GLN 744 Cb 0.41 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1xoi h GLN 744 CO -0.30 0.36 0.02 0.82 -0.67 0.00 0.00 178.83 179.06 1xoi h ILE 745 N 0.56 1.24 -0.10 2.54 2.04 -0.53 0.11 117.51 123.37 1xoi h ILE 745 Ca 0.24 -0.82 -0.11 0.00 1.00 0.00 0.00 64.86 65.18 1xoi h ILE 745 Cb 0.12 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1xoi h ILE 745 CO -0.15 0.25 -0.41 -0.78 0.00 0.00 0.00 178.15 177.06 1xoi h ASP 746 N 0.16 0.23 0.20 1.72 3.58 -0.38 -3.16 116.42 118.78 1xoi h ASP 746 Ca 0.07 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1xoi h ASP 746 Cb 0.36 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1xoi h ASP 746 CO 0.01 0.62 -0.28 0.59 -2.88 0.00 0.00 179.24 177.30 1xoi n ASN 747 N -4.03 1.14 0.00 2.28 3.02 0.94 -4.67 115.26 113.95 1xoi n ASN 747 Ca -0.01 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1xoi n ASN 747 Cb 0.47 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1xoi n ASN 747 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xoi n GLY 748 N 1.34 0.93 0.25 7.41 0.00 -1.07 -4.76 105.19 109.30 1xoi n GLY 748 Ca 0.12 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1xoi n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xoi h PHE 749 N 0.00 0.16 -0.40 1.61 3.57 -1.03 -1.87 116.94 118.99 1xoi h PHE 749 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xoi h PHE 749 Cb 0.00 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1xoi h PHE 749 CO 0.00 0.22 0.00 1.19 -2.23 0.00 0.00 178.31 177.49 1xoi n PHE 750 N -4.39 0.51 -2.85 0.41 3.72 -1.26 -4.53 117.46 109.08 1xoi n PHE 750 Ca -0.01 -0.27 -0.11 0.00 -0.05 0.00 0.00 57.45 57.00 1xoi n PHE 750 Cb 0.18 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.76 1xoi n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xoi n SER 751 N 1.42 -1.81 -0.04 4.37 3.41 -0.86 -4.70 113.62 115.41 1xoi n SER 751 Ca 0.19 -3.38 -0.08 0.00 -0.26 0.00 0.00 58.87 55.33 1xoi n SER 751 Cb 0.59 1.28 -0.02 0.00 -0.26 0.00 0.00 64.21 65.80 1xoi n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1xoi h PRO 752 N 3.41 -0.19 0.00 4.33 0.13 -1.60 0.37 132.00 138.46 1xoi h PRO 752 Ca -0.07 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1xoi h PRO 752 Cb 1.04 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xoi h PRO 752 CO 0.28 -0.12 0.00 1.63 -0.23 0.00 0.00 178.00 179.55 1xoi n LYS 753 N -5.34 0.33 -2.73 0.86 4.76 -1.26 -3.56 118.16 111.22 1xoi n LYS 753 Ca -0.01 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.37 1xoi n LYS 753 Cb 0.25 -1.33 0.05 0.00 -1.84 0.00 0.00 35.03 32.16 1xoi n LYS 753 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1xoi n GLN 754 N -0.83 0.52 -0.39 1.97 7.27 0.02 -5.07 117.38 120.87 1xoi n GLN 754 Ca 0.05 -1.47 0.31 0.00 0.07 0.00 0.00 57.00 55.97 1xoi n GLN 754 Cb 0.02 -1.04 0.61 0.00 2.41 0.00 0.00 30.24 32.24 1xoi n GLN 754 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1xoi h PRO 755 N 4.01 0.20 -0.45 3.69 0.11 -1.33 -2.78 132.00 135.45 1xoi h PRO 755 Ca -0.12 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 1xoi h PRO 755 Cb 1.10 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1xoi h PRO 755 CO 0.11 0.13 0.05 -0.40 -0.21 0.00 0.00 178.00 177.68 1xoi n ASP 756 N -4.57 4.53 -0.33 -2.05 5.75 -1.26 -2.72 116.55 115.89 1xoi n ASP 756 Ca 0.31 -3.09 0.07 0.00 -0.01 0.00 0.00 54.79 52.07 1xoi n ASP 756 Cb 1.20 -0.63 0.24 0.00 -1.03 0.00 0.00 41.12 40.89 1xoi n ASP 756 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1xoi h LEU 757 N 2.56 0.77 -2.76 -2.12 5.85 -1.83 -2.69 115.31 115.09 1xoi h LEU 757 Ca 0.07 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xoi h LEU 757 Cb 1.79 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1xoi h LEU 757 CO 0.41 0.38 0.00 0.49 -0.34 0.00 0.00 178.44 179.38 1xoi n PHE 758 N -4.72 1.39 0.05 1.25 3.72 -1.26 -4.49 117.46 113.40 1xoi n PHE 758 Ca 0.18 -0.52 0.14 0.00 -0.05 0.00 0.00 57.45 57.20 1xoi n PHE 758 Cb 0.39 -0.30 0.61 0.00 -0.94 0.00 0.00 39.48 39.24 1xoi n PHE 758 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1xoi h LYS 759 N 3.23 0.14 -0.36 -1.08 3.64 -1.83 0.03 116.57 120.34 1xoi h LYS 759 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1xoi h LYS 759 Cb 1.41 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1xoi h LYS 759 CO 0.27 0.09 0.17 -0.44 -2.27 0.00 0.00 179.45 177.27 1xoi h ASP 760 N 0.14 0.48 -0.25 4.20 3.45 -1.85 0.27 116.42 122.87 1xoi h ASP 760 Ca 0.18 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 1xoi h ASP 760 Cb 0.53 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1xoi h ASP 760 CO -0.02 0.49 0.11 0.40 -1.57 0.00 0.00 179.24 178.64 1xoi h ILE 761 N 0.45 1.15 0.11 0.35 2.04 -1.38 -1.45 117.51 118.78 1xoi h ILE 761 Ca 0.12 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1xoi h ILE 761 Cb 0.14 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1xoi h ILE 761 CO -0.01 0.15 -0.23 0.40 0.00 0.00 0.00 178.15 178.46 1xoi h ILE 762 N 0.26 0.48 -0.90 -0.67 1.08 -0.96 0.28 117.51 117.07 1xoi h ILE 762 Ca 0.08 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.68 1xoi h ILE 762 Cb 0.14 0.48 -0.09 0.00 -3.07 0.00 0.00 36.82 34.29 1xoi h ILE 762 CO -0.01 0.00 0.52 0.78 -0.69 0.00 0.00 178.15 178.75 1xoi h ASN 763 N -0.43 0.71 0.09 1.72 4.21 -0.33 0.88 115.58 122.43 1xoi h ASN 763 Ca 0.03 0.07 -0.18 0.00 1.21 0.00 0.00 56.30 57.43 1xoi h ASN 763 Cb 0.45 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1xoi h ASN 763 CO -0.14 0.35 -0.66 -0.03 -1.29 0.00 0.00 177.43 175.66 1xoi h MET 764 N 0.79 0.54 -0.17 0.81 4.05 -0.77 -1.01 114.93 119.17 1xoi h MET 764 Ca 0.47 -0.39 -0.12 0.00 -0.28 0.00 0.00 59.70 59.37 1xoi h MET 764 Cb 0.55 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1xoi h MET 764 CO -0.30 1.01 -0.41 1.25 0.23 0.00 0.00 176.91 178.70 1xoi h LEU 765 N 0.39 0.40 0.04 3.39 5.85 0.67 0.36 115.31 126.41 1xoi h LEU 765 Ca -0.02 -0.17 -0.33 0.00 0.84 0.00 0.00 57.88 58.20 1xoi h LEU 765 Cb 1.23 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1xoi h LEU 765 CO 0.12 0.77 -1.94 0.49 -0.34 0.00 0.00 178.44 177.54 1xoi n PHE 766 N -4.03 0.88 0.00 1.25 3.01 0.20 -4.59 117.46 114.18 1xoi n PHE 766 Ca -0.02 0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1xoi n PHE 766 Cb 0.49 -1.14 0.00 0.00 -0.01 0.00 0.00 39.48 38.82 1xoi n PHE 766 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1xoi n TYR 767 N -3.16 0.00 -2.58 1.38 4.02 -0.39 -4.32 117.16 112.12 1xoi n TYR 767 Ca -0.26 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.66 1xoi n TYR 767 Cb 1.06 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.42 1xoi n TYR 767 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1xoi n HIS 768 N -1.10 0.49 -2.94 -0.72 8.25 -0.44 -5.01 115.22 113.75 1xoi n HIS 768 Ca 0.00 -1.13 -0.44 0.00 -0.26 0.00 0.00 57.72 55.89 1xoi n HIS 768 Cb 0.00 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 30.90 1xoi n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xoi s ASP 769 N -2.70 6.60 0.00 0.41 -1.08 0.11 -4.84 116.67 115.18 1xoi s ASP 769 Ca 0.32 -2.00 0.04 0.00 -0.52 0.00 0.00 52.55 50.40 1xoi s ASP 769 Cb 0.37 -2.39 0.27 0.00 -1.46 0.00 0.00 42.92 39.70 1xoi s ASP 769 CO -0.12 -1.07 0.99 -2.11 0.52 0.00 0.00 175.17 173.38 1xoi n ARG 770 N 6.54 0.80 -0.17 4.34 1.85 -1.26 -2.79 116.66 125.97 1xoi n ARG 770 Ca 0.22 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 57.13 1xoi n ARG 770 Cb 0.49 -1.09 0.14 0.00 -1.05 0.00 0.00 32.46 30.95 1xoi n ARG 770 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1xoi n PHE 771 N -0.59 0.35 -4.13 2.89 3.72 -1.26 -5.03 117.46 113.41 1xoi n PHE 771 Ca 0.03 -0.73 -0.42 0.00 -0.05 0.00 0.00 57.45 56.29 1xoi n PHE 771 Cb 0.02 -0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 38.40 1xoi n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1xoi n LYS 772 N -0.52 -0.55 -0.01 -1.08 4.01 -1.12 -4.76 118.16 114.13 1xoi n LYS 772 Ca 0.12 0.10 -0.11 0.00 -0.51 0.00 0.00 58.31 57.91 1xoi n LYS 772 Cb 0.56 -2.92 -0.05 0.00 -0.51 0.00 0.00 35.03 32.11 1xoi n LYS 772 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xoi h VAL 773 N -2.37 1.07 -0.17 -0.18 2.07 -1.93 -2.70 116.25 112.03 1xoi h VAL 773 Ca -0.70 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 1xoi h VAL 773 Cb 1.40 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1xoi h VAL 773 CO 0.57 0.06 -0.13 -0.26 0.02 0.00 0.00 177.57 177.84 1xoi h PHE 774 N 0.10 0.29 -0.00 1.57 0.05 -1.90 -2.70 116.94 114.33 1xoi h PHE 774 Ca 0.04 -0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1xoi h PHE 774 Cb 0.05 -0.08 -0.00 0.00 2.00 0.00 0.00 35.95 37.92 1xoi h PHE 774 CO -0.05 0.40 0.00 0.00 -0.18 0.00 0.00 178.31 178.49 1xoi h ALA 775 N 1.61 1.87 -0.01 2.45 0.00 -1.86 -2.62 119.26 120.71 1xoi h ALA 775 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xoi h ALA 775 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xoi h ALA 775 CO 0.02 -0.01 -0.43 -0.25 0.00 0.00 0.00 179.25 178.59 1xoi n ASP 776 N -4.35 1.23 -0.00 0.00 8.00 -1.09 -4.71 116.55 115.63 1xoi n ASP 776 Ca -0.03 -1.12 -0.14 0.00 0.71 0.00 0.00 54.79 54.22 1xoi n ASP 776 Cb 0.09 0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 41.76 1xoi n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1xoi h TYR 777 N 1.07 -1.44 0.12 1.24 3.20 -1.15 0.16 116.97 120.17 1xoi h TYR 777 Ca 0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1xoi h TYR 777 Cb 0.44 0.65 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 1xoi h TYR 777 CO 0.00 -0.52 -0.30 1.49 -1.64 0.00 0.00 178.16 177.19 1xoi h GLU 778 N -0.55 -0.50 -0.30 1.82 4.81 -1.84 0.13 114.58 118.14 1xoi h GLU 778 Ca 0.05 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xoi h GLU 778 Cb 0.67 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1xoi h GLU 778 CO -0.42 -0.33 0.19 0.00 -0.73 0.00 0.00 179.01 177.73 1xoi h ALA 779 N 0.17 1.78 -0.03 2.92 0.00 -1.84 -0.81 119.26 121.45 1xoi h ALA 779 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xoi h ALA 779 Cb 0.54 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xoi h ALA 779 CO -0.17 0.20 -0.01 -0.92 0.00 0.00 0.00 179.25 178.35 1xoi h TYR 780 N 0.41 0.07 -0.57 0.00 3.20 0.21 -1.38 116.97 118.91 1xoi h TYR 780 Ca 0.11 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1xoi h TYR 780 Cb -0.04 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1xoi h TYR 780 CO 0.00 0.44 0.19 0.28 -1.64 0.00 0.00 178.16 177.43 1xoi h VAL 781 N -0.32 1.22 -0.56 1.81 2.07 -0.46 -0.01 116.25 119.99 1xoi h VAL 781 Ca 0.01 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 1xoi h VAL 781 Cb 0.42 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1xoi h VAL 781 CO 0.00 0.28 -0.04 0.50 0.02 0.00 0.00 177.57 178.34 1xoi h LYS 782 N 0.83 1.01 -0.49 1.57 3.64 -1.10 -2.18 116.57 119.86 1xoi h LYS 782 Ca 0.19 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1xoi h LYS 782 Cb 0.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1xoi h LYS 782 CO -0.01 1.01 0.06 0.00 -2.27 0.00 0.00 179.45 178.24 1xoi h GLN 784 N 0.69 0.88 -0.80 0.00 1.08 -0.70 -1.03 115.11 115.23 1xoi h GLN 784 Ca 0.15 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1xoi h GLN 784 Cb 0.42 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1xoi h GLN 784 CO 0.01 0.58 0.46 -0.44 -0.95 0.00 0.00 178.83 178.50 1xoi h ASP 785 N 0.90 0.97 -0.72 1.46 3.32 -1.23 -1.66 116.42 119.46 1xoi h ASP 785 Ca 0.37 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.38 1xoi h ASP 785 Cb 0.21 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1xoi h ASP 785 CO -0.19 0.76 0.45 0.11 -1.72 0.00 0.00 179.24 178.65 1xoi h LYS 786 N 1.09 0.84 -0.23 3.56 1.57 -1.00 -1.39 116.57 121.01 1xoi h LYS 786 Ca 0.28 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1xoi h LYS 786 Cb -0.01 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 1xoi h LYS 786 CO -0.05 0.56 -0.07 0.28 -0.57 0.00 0.00 179.45 179.60 1xoi h VAL 787 N 0.87 0.75 -0.92 0.50 2.07 -0.36 -1.93 116.25 117.22 1xoi h VAL 787 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.87 1xoi h VAL 787 Cb 0.04 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1xoi h VAL 787 CO -0.12 0.00 0.59 0.28 0.02 0.00 0.00 177.57 178.34 1xoi h SER 788 N -0.01 0.95 0.09 0.57 0.02 -0.72 -1.20 113.55 113.25 1xoi h SER 788 Ca 0.11 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1xoi h SER 788 Cb 0.19 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1xoi h SER 788 CO -0.25 0.62 -0.13 1.56 -1.14 0.00 0.00 176.83 177.49 1xoi h GLN 789 N 1.09 -0.26 -0.44 3.45 1.08 -0.55 -1.96 115.11 117.52 1xoi h GLN 789 Ca 0.39 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.63 1xoi h GLN 789 Cb 0.13 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1xoi h GLN 789 CO -0.16 -0.17 0.29 1.25 -0.95 0.00 0.00 178.83 179.09 1xoi h LEU 790 N -0.27 0.46 -2.02 1.46 5.85 -0.93 -1.27 115.31 118.59 1xoi h LEU 790 Ca 0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1xoi h LEU 790 Cb 0.28 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1xoi h LEU 790 CO -0.06 0.32 -0.10 0.22 -0.34 0.00 0.00 178.44 178.48 1xoi h TYR 791 N 0.54 0.00 0.00 1.25 3.20 -0.46 -0.59 116.97 120.90 1xoi h TYR 791 Ca 0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1xoi h TYR 791 Cb 0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1xoi h TYR 791 CO -0.00 0.10 0.00 -1.33 -1.64 0.00 0.00 178.16 175.29 1xoi n MET 792 N -3.69 0.21 -3.71 1.82 2.81 -0.48 -4.13 117.12 109.95 1xoi n MET 792 Ca -0.02 0.33 -0.35 0.00 -1.81 0.00 0.00 57.70 55.85 1xoi n MET 792 Cb 0.21 -1.83 -0.09 0.00 -0.71 0.00 0.00 33.22 30.80 1xoi n MET 792 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1xoi s ASN 793 N -4.29 5.52 0.33 7.83 3.84 -0.23 -4.96 114.94 122.97 1xoi s ASN 793 Ca 0.07 -3.42 0.11 0.00 0.21 0.00 0.00 52.86 49.83 1xoi s ASN 793 Cb 0.11 -1.85 0.97 0.00 -0.55 0.00 0.00 41.25 39.93 1xoi s ASN 793 CO 0.47 -0.24 1.68 -0.65 -2.79 0.00 0.00 177.10 175.57 1xoi h PRO 794 N 6.30 0.37 -0.37 0.43 0.11 -1.76 0.51 132.00 137.59 1xoi h PRO 794 Ca 0.09 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 1xoi h PRO 794 Cb 0.86 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1xoi h PRO 794 CO 0.78 0.25 -0.40 -0.22 -0.21 0.00 0.00 178.00 178.20 1xoi h LYS 795 N 0.39 0.92 -0.28 1.05 3.64 -1.93 -1.80 116.57 118.57 1xoi h LYS 795 Ca 0.68 -0.50 -0.19 0.00 -1.27 0.00 0.00 60.65 59.37 1xoi h LYS 795 Cb 1.45 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1xoi h LYS 795 CO -0.57 1.15 -0.57 0.00 -2.27 0.00 0.00 179.45 177.19 1xoi h ALA 796 N 0.76 0.45 0.05 5.00 0.00 -1.52 -1.79 119.26 122.21 1xoi h ALA 796 Ca 0.05 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xoi h ALA 796 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xoi h ALA 796 CO 0.10 0.68 -0.03 2.35 0.00 0.00 0.00 179.25 182.35 1xoi h TRP 797 N 0.66 -0.07 0.00 0.00 2.91 -0.94 -2.06 115.95 116.45 1xoi h TRP 797 Ca 0.01 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1xoi h TRP 797 Cb 1.19 0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.86 1xoi h TRP 797 CO 0.07 0.05 -0.05 -0.91 -1.03 0.00 0.00 178.44 176.57 1xoi h ASN 798 N -0.17 0.00 0.20 2.65 2.35 -1.36 -1.20 115.58 118.05 1xoi h ASN 798 Ca -0.01 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 1xoi h ASN 798 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1xoi h ASN 798 CO 0.01 0.05 -0.68 0.74 -1.65 0.00 0.00 177.43 175.91 1xoi h THR 799 N 0.00 1.36 -0.17 2.81 2.02 -1.03 -1.32 112.91 116.58 1xoi h THR 799 Ca -0.00 -2.03 -0.22 0.00 0.77 0.00 0.00 66.41 64.93 1xoi h THR 799 Cb 0.56 2.01 0.01 0.00 -1.74 0.00 0.00 68.15 68.99 1xoi h THR 799 CO 0.01 0.62 -0.74 -0.03 0.37 0.00 0.00 175.52 175.74 1xoi h MET 800 N 0.31 0.78 -0.45 6.66 1.85 -0.79 -2.80 114.93 120.49 1xoi h MET 800 Ca -0.02 -0.61 0.05 0.00 -0.61 0.00 0.00 59.70 58.51 1xoi h MET 800 Cb 1.24 0.12 -0.04 0.00 0.43 0.00 0.00 31.60 33.34 1xoi h MET 800 CO 0.12 1.22 0.19 0.28 -0.40 0.00 0.00 176.91 178.32 1xoi h VAL 801 N 0.54 0.91 -0.96 -5.77 2.07 -1.10 -1.36 116.25 110.58 1xoi h VAL 801 Ca -0.04 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1xoi h VAL 801 Cb 1.36 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1xoi h VAL 801 CO 0.15 0.07 0.62 0.25 0.02 0.00 0.00 177.57 178.69 1xoi h LEU 802 N 0.39 1.12 -1.21 2.57 5.85 -1.22 -0.52 115.31 122.30 1xoi h LEU 802 Ca 0.20 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1xoi h LEU 802 Cb 0.15 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1xoi h LEU 802 CO -0.17 0.82 -0.22 0.11 -0.34 0.00 0.00 178.44 178.64 1xoi h LYS 803 N 1.31 0.27 0.07 1.25 1.57 -1.11 0.29 116.57 120.23 1xoi h LYS 803 Ca 0.35 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1xoi h LYS 803 Cb -0.13 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1xoi h LYS 803 CO -0.07 0.49 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.35 1xoi h ASN 804 N 0.25 -0.08 -0.77 0.86 2.35 -0.27 -2.72 115.58 115.19 1xoi h ASN 804 Ca 0.04 -0.39 0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1xoi h ASN 804 Cb 0.53 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 1xoi h ASN 804 CO 0.04 0.37 0.51 0.40 -1.65 0.00 0.00 177.43 177.09 1xoi h ILE 805 N -0.56 1.19 0.00 2.81 2.04 -0.98 -1.89 117.51 120.11 1xoi h ILE 805 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1xoi h ILE 805 Cb 0.47 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1xoi h ILE 805 CO 0.02 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.36 1xoi h ALA 806 N 1.29 1.00 -0.29 1.87 0.00 -0.96 -2.77 119.26 119.40 1xoi h ALA 806 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1xoi h ALA 806 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xoi h ALA 806 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.18 1xoi n ALA 807 N -1.93 2.22 1.54 0.00 0.00 -0.75 -2.67 120.51 118.92 1xoi n ALA 807 Ca -0.00 -1.23 0.14 0.00 0.00 0.00 0.00 53.44 52.35 1xoi n ALA 807 Cb 0.19 -0.40 0.59 0.00 0.00 0.00 0.00 19.45 19.83 1xoi n ALA 807 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xoi n SER 808 N 0.28 1.01 -0.34 0.00 3.41 -0.96 -4.37 113.62 112.65 1xoi n SER 808 Ca 0.11 -1.19 0.09 0.00 -0.26 0.00 0.00 58.87 57.62 1xoi n SER 808 Cb 0.44 0.01 0.26 0.00 -0.26 0.00 0.00 64.21 64.66 1xoi n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1xoi h GLY 809 N 4.91 1.62 2.00 5.00 0.00 -1.79 -0.81 103.07 114.00 1xoi h GLY 809 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1xoi h GLY 809 CO 0.00 0.03 0.00 0.07 0.00 0.00 0.00 176.54 176.64 1xoi h LYS 810 N 0.81 0.00 -0.63 4.80 5.09 -1.88 -2.57 116.57 122.20 1xoi h LYS 810 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.25 1xoi h LYS 810 Cb 0.67 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.00 1xoi h LYS 810 CO -0.33 0.00 0.00 1.19 -2.09 0.00 0.00 179.45 178.22 1xoi n PHE 811 N -2.92 0.76 -2.77 0.07 3.72 -0.31 -4.74 117.46 111.27 1xoi n PHE 811 Ca -0.02 -0.29 -0.41 0.00 -0.05 0.00 0.00 57.45 56.69 1xoi n PHE 811 Cb 0.13 -0.18 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 1xoi n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xoi s SER 812 N -0.59 7.52 0.14 4.37 0.15 -0.97 -0.86 113.70 123.46 1xoi s SER 812 Ca 0.24 1.81 0.15 0.00 0.70 0.00 0.00 55.95 58.85 1xoi s SER 812 Cb 0.16 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 62.59 1xoi s SER 812 CO 0.10 0.03 1.47 -1.54 1.20 0.00 0.00 173.24 174.50 1xoi n SER 813 N 2.32 0.31 -0.21 5.45 3.41 -0.15 -1.50 113.62 123.25 1xoi n SER 813 Ca 0.00 0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 59.13 1xoi n SER 813 Cb 0.49 -0.66 0.02 0.00 -0.26 0.00 0.00 64.21 63.80 1xoi n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xoi h ASP 814 N 0.00 0.98 -0.48 4.04 3.45 -1.91 -0.31 116.42 122.19 1xoi h ASP 814 Ca 0.00 -0.28 -0.06 0.00 0.43 0.00 0.00 57.03 57.12 1xoi h ASP 814 Cb 0.17 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 1xoi h ASP 814 CO 0.00 1.01 0.06 -0.09 -1.57 0.00 0.00 179.24 178.65 1xoi h ARG 815 N 0.91 0.81 0.27 3.56 2.43 -1.58 -2.00 114.38 118.78 1xoi h ARG 815 Ca 0.18 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1xoi h ARG 815 Cb 0.46 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1xoi h ARG 815 CO 0.02 0.82 -0.15 1.15 -1.51 0.00 0.00 179.97 180.30 1xoi h THR 816 N 0.68 0.69 -0.99 0.20 2.02 -1.39 -2.70 112.91 111.42 1xoi h THR 816 Ca 0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.34 1xoi h THR 816 Cb 0.42 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1xoi h THR 816 CO 0.01 0.00 0.65 0.40 0.37 0.00 0.00 175.52 176.96 1xoi h ILE 817 N -0.39 1.24 -0.41 3.11 1.08 -1.01 -1.78 117.51 119.35 1xoi h ILE 817 Ca -0.03 -0.45 0.07 0.00 -0.39 0.00 0.00 64.86 64.05 1xoi h ILE 817 Cb 0.32 -0.20 -0.06 0.00 -3.07 0.00 0.00 36.82 33.81 1xoi h ILE 817 CO 0.04 0.24 0.07 0.11 -0.69 0.00 0.00 178.15 177.93 1xoi h LYS 818 N 1.33 0.19 -0.22 2.37 1.57 -1.18 0.20 116.57 120.83 1xoi h LYS 818 Ca 0.37 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1xoi h LYS 818 Cb -0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1xoi h LYS 818 CO -0.09 0.13 0.11 0.93 -0.57 0.00 0.00 179.45 179.96 1xoi h GLU 819 N 0.20 0.23 -0.07 3.15 5.08 -1.08 0.60 114.58 122.68 1xoi h GLU 819 Ca 0.20 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1xoi h GLU 819 Cb 0.25 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1xoi h GLU 819 CO -0.27 0.15 -0.14 1.88 -1.00 0.00 0.00 179.01 179.63 1xoi h TYR 820 N 0.23 -0.36 -0.89 4.33 0.05 -0.66 0.17 116.97 119.84 1xoi h TYR 820 Ca 0.09 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.93 1xoi h TYR 820 Cb 0.02 0.17 -0.06 0.00 1.01 0.00 0.00 36.73 37.87 1xoi h TYR 820 CO -0.09 -0.21 0.57 0.00 -1.05 0.00 0.00 178.16 177.38 1xoi h ALA 821 N 0.81 1.21 0.09 3.88 0.00 -0.26 0.24 119.26 125.23 1xoi h ALA 821 Ca 0.07 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 1xoi h ALA 821 Cb 0.30 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xoi h ALA 821 CO -0.19 0.37 -1.15 0.37 0.00 0.00 0.00 179.25 178.66 1xoi h GLN 822 N 1.07 0.61 -0.01 0.00 4.15 -0.52 0.25 115.11 120.66 1xoi h GLN 822 Ca 0.37 -0.79 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1xoi h GLN 822 Cb 0.09 0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1xoi h GLN 822 CO -0.15 1.35 -0.29 0.09 -1.93 0.00 0.00 178.83 177.90 1xoi n ASN 823 N -3.85 1.85 0.05 -0.69 3.02 0.56 -4.54 115.26 111.66 1xoi n ASN 823 Ca -0.13 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 1xoi n ASN 823 Cb 0.94 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 1xoi n ASN 823 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1xoi n ILE 824 N 0.10 0.20 0.16 2.41 5.41 0.75 -4.88 119.36 123.51 1xoi n ILE 824 Ca 0.08 0.07 0.07 0.00 1.00 0.00 0.00 62.75 63.96 1xoi n ILE 824 Cb 0.38 -0.88 0.07 0.00 -0.71 0.00 0.00 39.64 38.50 1xoi n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1xoi h TRP 825 N 0.00 0.00 -5.52 1.39 6.55 -1.37 -3.48 115.95 113.51 1xoi h TRP 825 Ca 0.00 0.00 -0.28 0.00 0.95 0.00 0.00 58.89 59.56 1xoi h TRP 825 Cb 0.21 0.00 0.18 0.00 -0.86 0.00 0.00 29.16 28.69 1xoi h TRP 825 CO 0.00 0.26 -0.81 -1.71 -1.05 0.00 0.00 178.44 175.13 1xoi n ASN 826 N -3.10 -4.55 -4.38 -3.49 5.15 0.70 -4.92 115.26 100.68 1xoi n ASN 826 Ca 0.02 -0.66 -0.19 0.00 -0.60 0.00 0.00 54.58 53.15 1xoi n ASN 826 Cb 0.65 -5.14 -0.10 0.00 -0.53 0.00 0.00 39.78 34.65 1xoi n ASN 826 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1xoi s VAL 827 N -3.37 0.99 -0.11 3.44 -7.23 -0.15 -5.00 120.40 108.96 1xoi s VAL 827 Ca 0.25 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1xoi s VAL 827 Cb -0.03 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1xoi s VAL 827 CO 0.73 -0.11 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.67 1xoi s GLU 828 N -3.92 1.95 0.51 4.82 2.02 -1.26 -4.30 118.70 118.53 1xoi s GLU 828 Ca 0.34 -0.45 -0.22 0.00 0.02 0.00 0.00 54.97 54.66 1xoi s GLU 828 Cb 0.07 -1.77 -0.07 0.00 0.10 0.00 0.00 34.13 32.46 1xoi s GLU 828 CO 0.13 -0.14 1.07 -0.35 0.02 0.00 0.00 175.26 175.99 1xoi n PRO 829 N 4.45 1.31 -4.80 0.39 -0.04 -1.26 -4.86 135.00 130.19 1xoi n PRO 829 Ca -0.17 0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 63.49 1xoi n PRO 829 Cb 0.51 -2.21 -0.17 0.00 -0.04 0.00 0.00 33.50 31.59 1xoi n PRO 829 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1xoi s SER 830 N -0.92 2.33 -0.62 3.54 0.01 0.36 -5.02 113.70 113.37 1xoi s SER 830 Ca 0.69 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 57.46 1xoi s SER 830 Cb -0.47 -1.07 0.16 0.00 0.21 0.00 0.00 66.02 64.85 1xoi s SER 830 CO 0.52 0.08 0.49 -1.81 0.41 0.00 0.00 173.24 172.93 1xoi s ASP 831 N 0.58 5.81 0.00 2.44 -0.00 -1.26 -3.85 116.67 120.38 1xoi s ASP 831 Ca -0.15 -2.48 0.00 0.00 -0.00 0.00 0.00 52.55 49.92 1xoi s ASP 831 Cb -0.17 -2.00 0.00 0.00 -0.00 0.00 0.00 42.92 40.75 1xoi s ASP 831 CO 0.05 -0.54 0.00 0.18 -0.00 0.00 0.00 175.17 174.86 1xoi n LEU 832 N 4.12 0.00 -3.15 1.23 4.77 -1.26 -5.18 117.00 117.54 1xoi n LEU 832 Ca 0.04 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.07 1xoi n LEU 832 Cb 0.41 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1xoi n LEU 832 CO 0.37 0.00 0.67 -0.75 -1.33 0.00 0.00 177.39 176.35 1xoi s LYS 833 N 1.64 0.09 -0.62 3.23 2.20 -1.26 -4.81 119.74 120.21 1xoi s LYS 833 Ca 0.00 0.15 -0.28 0.00 -0.36 0.00 0.00 55.97 55.48 1xoi s LYS 833 Cb 0.00 0.08 -0.11 0.00 -1.51 0.00 0.00 37.83 36.29 1xoi s LYS 833 CO 0.00 -0.12 2.48 -0.89 -0.36 0.00 0.00 175.35 176.47 1xoi n ILE 834 N 5.40 -0.04 -0.77 5.43 5.41 -1.26 -4.90 119.36 128.63 1xoi n ILE 834 Ca -0.05 -0.56 -0.32 0.00 1.00 0.00 0.00 62.75 62.83 1xoi n ILE 834 Cb 0.55 -2.13 0.16 0.00 -0.71 0.00 0.00 39.64 37.51 1xoi n ILE 834 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1xoi n SER 835 N 14.13 0.16 0.00 4.38 7.64 -1.26 -4.88 113.62 133.80 1xoi n SER 835 Ca 0.45 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1xoi n SER 835 Cb 0.39 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1xoi n SER 835 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xoi n LEU 836 N -3.71 0.00 0.00 -3.43 4.77 -1.26 -5.02 117.00 108.35 1xoi n LEU 836 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1xoi n LEU 836 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1xoi n LEU 836 CO 0.49 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.35 1xoi n SER 837 N -0.26 -0.38 0.00 -1.43 7.64 -1.26 -5.22 113.62 112.71 1xoi n SER 837 Ca 0.00 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.08 1xoi n SER 837 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xoi n SER 837 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62