#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkq s LEU 2 N 0.00 3.73 0.45 1.04 1.43 -1.26 -4.98 118.68 119.08 1rkq s LEU 2 Ca 0.00 1.94 -0.24 0.00 -1.03 0.00 0.00 54.13 54.80 1rkq s LEU 2 Cb 0.00 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.59 1rkq s LEU 2 CO 0.00 -0.96 1.20 0.00 0.23 0.00 0.00 176.35 176.82 1rkq s ALA 3 N -2.08 3.04 0.28 4.21 0.00 -1.26 -4.79 121.76 121.15 1rkq s ALA 3 Ca 0.67 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 53.36 1rkq s ALA 3 Cb -0.17 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 1rkq s ALA 3 CO 0.26 -0.72 1.40 0.42 0.00 0.00 0.00 175.76 177.12 1rkq s ILE 4 N -1.45 2.66 -0.11 0.00 -1.09 -1.26 -4.70 121.20 115.25 1rkq s ILE 4 Ca 0.62 0.59 0.08 0.00 -2.23 0.00 0.00 60.65 59.71 1rkq s ILE 4 Cb -0.31 -3.38 -0.11 0.00 -1.58 0.00 0.00 42.46 37.08 1rkq s ILE 4 CO 0.39 0.11 0.21 0.29 -1.23 0.00 0.00 174.94 174.71 1rkq n LYS 5 N 1.76 1.47 -3.69 2.79 5.02 0.05 -4.84 118.16 120.72 1rkq n LYS 5 Ca 0.04 -0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 1rkq n LYS 5 Cb 0.41 -1.09 -0.11 0.00 -0.02 0.00 0.00 35.03 34.23 1rkq n LYS 5 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1rkq s LEU 6 N -3.19 -0.20 -0.23 -0.35 0.20 -1.01 -1.32 118.68 112.58 1rkq s LEU 6 Ca -0.01 0.93 -0.00 0.00 0.69 0.00 0.00 54.13 55.73 1rkq s LEU 6 Cb 0.05 1.38 0.03 0.00 -0.43 0.00 0.00 46.19 47.22 1rkq s LEU 6 CO 0.31 -0.20 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.44 1rkq s ILE 7 N 1.59 2.57 -0.23 6.68 1.01 0.20 -1.26 121.20 131.76 1rkq s ILE 7 Ca -0.08 -1.09 -0.13 0.00 0.00 0.00 0.00 60.65 59.35 1rkq s ILE 7 Cb -0.09 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1rkq s ILE 7 CO -0.13 0.25 0.28 0.00 0.00 0.00 0.00 174.94 175.34 1rkq s ALA 8 N 1.28 3.58 -0.11 9.38 0.00 0.14 -0.79 121.76 135.25 1rkq s ALA 8 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1rkq s ALA 8 Cb -0.16 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1rkq s ALA 8 CO -0.07 -0.28 -0.13 0.42 0.00 0.00 0.00 175.76 175.71 1rkq s ILE 9 N 1.24 1.34 0.67 0.00 1.01 -0.43 -0.87 121.20 124.16 1rkq s ILE 9 Ca 0.13 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 1rkq s ILE 9 Cb -0.14 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1rkq s ILE 9 CO 0.06 0.41 1.11 -0.62 0.00 0.00 0.00 174.94 175.91 1rkq s ASP 10 N 1.16 5.02 0.00 3.58 2.15 -0.58 -0.97 116.67 127.03 1rkq s ASP 10 Ca -0.04 1.99 0.00 0.00 0.43 0.00 0.00 52.55 54.93 1rkq s ASP 10 Cb -0.14 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1rkq s ASP 10 CO -0.03 -1.69 0.00 0.23 -0.17 0.00 0.00 175.17 173.51 1rkq n MET 11 N -2.54 0.00 -2.11 4.34 2.81 -1.26 -1.91 117.12 116.45 1rkq n MET 11 Ca 0.10 0.14 -0.42 0.00 -1.81 0.00 0.00 57.70 55.71 1rkq n MET 11 Cb 0.52 -0.56 -0.03 0.00 -0.71 0.00 0.00 33.22 32.44 1rkq n MET 11 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rkq s ASP 12 N -2.92 6.75 0.00 7.83 1.01 -1.26 -1.46 116.67 126.63 1rkq s ASP 12 Ca 0.00 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.55 1rkq s ASP 12 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1rkq s ASP 12 CO 0.00 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.22 1rkq n GLY 13 N 3.74 1.98 0.13 0.21 0.00 -1.26 -4.82 105.19 105.17 1rkq n GLY 13 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1rkq n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rkq n THR 14 N -2.00 0.00 -0.17 2.61 -1.04 -0.74 -4.45 114.28 108.49 1rkq n THR 14 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1rkq n THR 14 Cb 0.00 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 1rkq n THR 14 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1rkq h LEU 15 N 0.00 0.91 -9.70 -4.42 5.85 -0.57 -3.42 115.31 103.97 1rkq h LEU 15 Ca 0.00 -0.33 -0.63 0.00 0.84 0.00 0.00 57.88 57.75 1rkq h LEU 15 Cb 0.00 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1rkq h LEU 15 CO 0.00 1.03 -0.34 -0.76 -0.34 0.00 0.00 178.44 178.03 1rkq s LEU 16 N -9.30 4.41 1.08 2.25 1.43 -0.53 -4.68 118.68 113.34 1rkq s LEU 16 Ca -0.12 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 1rkq s LEU 16 Cb 0.12 -2.46 0.23 0.00 0.03 0.00 0.00 46.19 44.10 1rkq s LEU 16 CO 0.84 0.33 1.10 -0.76 0.23 0.00 0.00 176.35 178.08 1rkq s LEU 17 N -1.27 1.25 0.57 1.79 1.43 -0.31 -4.16 118.68 117.98 1rkq s LEU 17 Ca 0.22 0.98 0.32 0.00 -1.03 0.00 0.00 54.13 54.63 1rkq s LEU 17 Cb -0.14 -3.00 1.74 0.00 0.03 0.00 0.00 46.19 44.82 1rkq s LEU 17 CO 0.11 -3.51 2.17 -0.65 0.23 0.00 0.00 176.35 174.70 1rkq h PRO 18 N -2.15 0.00 -0.38 1.29 0.11 -1.95 0.16 132.00 129.08 1rkq h PRO 18 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1rkq h PRO 18 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1rkq h PRO 18 CO 0.50 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1rkq n ASP 19 N -3.51 1.85 -0.14 -2.05 5.75 -1.26 -4.91 116.55 112.28 1rkq n ASP 19 Ca -0.02 -2.05 -0.02 0.00 -0.01 0.00 0.00 54.79 52.69 1rkq n ASP 19 Cb 0.18 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.00 1rkq n ASP 19 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1rkq n HIS 20 N 0.40 0.00 -3.20 2.11 8.25 0.57 -5.03 115.22 118.32 1rkq n HIS 20 Ca 0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.36 1rkq n HIS 20 Cb 0.31 -0.68 0.01 0.00 1.12 0.00 0.00 29.99 30.75 1rkq n HIS 20 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1rkq s THR 21 N -1.99 3.82 -0.22 1.59 -4.23 -1.26 -4.83 115.64 108.52 1rkq s THR 21 Ca 0.00 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.61 1rkq s THR 21 Cb 0.00 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 1rkq s THR 21 CO 0.00 -0.18 0.11 -0.63 -0.54 0.00 0.00 174.62 173.38 1rkq s ILE 22 N -2.36 5.03 0.60 2.99 1.01 -1.26 -1.16 121.20 126.05 1rkq s ILE 22 Ca 0.48 0.06 -0.17 0.00 0.00 0.00 0.00 60.65 61.02 1rkq s ILE 22 Cb -0.10 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1rkq s ILE 22 CO 0.34 0.39 1.11 -0.94 0.00 0.00 0.00 174.94 175.84 1rkq s SER 23 N 0.83 5.46 0.28 3.58 1.04 -1.26 -4.82 113.70 118.82 1rkq s SER 23 Ca 0.06 2.06 0.03 0.00 0.48 0.00 0.00 55.95 58.58 1rkq s SER 23 Cb -0.13 -2.56 0.65 0.00 0.10 0.00 0.00 66.02 64.07 1rkq s SER 23 CO 0.02 -1.39 1.77 -0.65 0.98 0.00 0.00 173.24 173.97 1rkq h PRO 24 N 0.62 0.66 -0.51 4.02 0.11 -1.99 -1.52 132.00 133.40 1rkq h PRO 24 Ca -0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1rkq h PRO 24 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1rkq h PRO 24 CO 0.56 0.44 0.18 0.00 -0.21 0.00 0.00 178.00 178.97 1rkq h ALA 25 N 1.61 0.66 -0.21 -0.75 0.00 -1.99 0.18 119.26 118.77 1rkq h ALA 25 Ca 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1rkq h ALA 25 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1rkq h ALA 25 CO -0.38 0.29 -0.00 0.28 0.00 0.00 0.00 179.25 179.44 1rkq h VAL 26 N 0.68 1.26 -0.88 0.00 2.07 -1.78 -1.33 116.25 116.27 1rkq h VAL 26 Ca 0.17 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1rkq h VAL 26 Cb 0.23 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1rkq h VAL 26 CO -0.01 0.27 0.55 0.11 0.02 0.00 0.00 177.57 178.51 1rkq h LYS 27 N 0.13 0.97 -0.18 1.57 1.57 -1.08 -1.68 116.57 117.86 1rkq h LYS 27 Ca 0.06 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1rkq h LYS 27 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1rkq h LYS 27 CO 0.01 0.64 -0.45 -0.91 -0.57 0.00 0.00 179.45 178.17 1rkq h ASN 28 N 1.00 0.47 -0.48 0.86 2.35 -0.77 -1.34 115.58 117.66 1rkq h ASN 28 Ca 0.38 -0.22 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 1rkq h ASN 28 Cb 0.17 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1rkq h ASN 28 CO -0.17 0.86 -0.21 0.00 -1.65 0.00 0.00 177.43 176.26 1rkq h ALA 29 N 1.16 0.67 -0.17 -0.83 0.00 -0.94 -1.46 119.26 117.70 1rkq h ALA 29 Ca 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1rkq h ALA 29 Cb 0.93 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1rkq h ALA 29 CO 0.08 0.66 0.06 0.82 0.00 0.00 0.00 179.25 180.87 1rkq h ILE 30 N 0.84 1.17 -0.84 0.00 2.04 -1.20 -1.22 117.51 118.30 1rkq h ILE 30 Ca 0.11 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1rkq h ILE 30 Cb 0.79 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 1rkq h ILE 30 CO 0.07 0.16 0.52 0.00 0.00 0.00 0.00 178.15 178.90 1rkq h ALA 31 N 0.89 1.33 -0.42 1.87 0.00 -1.12 -1.35 119.26 120.48 1rkq h ALA 31 Ca 0.06 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1rkq h ALA 31 Cb 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1rkq h ALA 31 CO -0.00 0.59 -0.17 0.00 0.00 0.00 0.00 179.25 179.66 1rkq h ALA 32 N 1.42 0.91 -0.35 0.00 0.00 -0.99 -0.44 119.26 119.82 1rkq h ALA 32 Ca 0.31 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1rkq h ALA 32 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1rkq h ALA 32 CO -0.06 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.78 1rkq h ALA 33 N 1.10 0.47 -0.35 0.00 0.00 -0.85 -2.90 119.26 116.72 1rkq h ALA 33 Ca 0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1rkq h ALA 33 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1rkq h ALA 33 CO 0.05 0.27 -0.05 0.00 0.00 0.00 0.00 179.25 179.52 1rkq h ARG 34 N 0.43 0.57 0.00 0.00 3.08 -1.10 -1.70 114.38 115.66 1rkq h ARG 34 Ca 0.09 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1rkq h ARG 34 Cb 0.51 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1rkq h ARG 34 CO 0.02 0.63 -0.14 0.00 -1.07 0.00 0.00 179.97 179.41 1rkq h ALA 35 N 1.42 1.49 -0.22 0.04 0.00 -0.89 -0.38 119.26 120.73 1rkq h ALA 35 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rkq h ALA 35 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rkq h ALA 35 CO 0.02 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.98 1rkq n ARG 36 N -3.96 1.55 -1.02 0.00 1.74 -0.73 -4.93 116.66 109.31 1rkq n ARG 36 Ca -0.02 -0.85 -0.01 0.00 -0.77 0.00 0.00 57.85 56.20 1rkq n ARG 36 Cb 0.23 -1.23 -0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1rkq n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rkq n GLY 37 N 0.92 0.48 3.69 -0.13 0.00 -0.15 -5.03 105.19 104.97 1rkq n GLY 37 Ca 0.10 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1rkq n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rkq s VAL 38 N -1.97 4.95 0.05 1.61 1.01 -0.72 -5.00 120.40 120.33 1rkq s VAL 38 Ca 0.00 1.59 -0.31 0.00 0.00 0.00 0.00 61.98 63.26 1rkq s VAL 38 Cb 0.00 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 1rkq s VAL 38 CO 0.00 0.14 1.40 0.20 0.00 0.00 0.00 175.10 176.83 1rkq s ASN 39 N 1.00 6.84 -0.16 3.32 0.01 -0.43 -4.05 114.94 121.47 1rkq s ASN 39 Ca 0.39 2.20 0.01 0.00 -0.71 0.00 0.00 52.86 54.75 1rkq s ASN 39 Cb -0.18 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 38.92 1rkq s ASN 39 CO 0.17 -0.69 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.19 1rkq s VAL 40 N 1.89 2.25 -0.23 1.60 1.01 -1.26 -0.63 120.40 125.04 1rkq s VAL 40 Ca 0.64 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1rkq s VAL 40 Cb -0.34 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1rkq s VAL 40 CO 0.28 0.53 -0.08 -0.69 0.00 0.00 0.00 175.10 175.14 1rkq s VAL 41 N 1.03 1.73 0.13 2.92 1.01 0.03 -4.74 120.40 122.52 1rkq s VAL 41 Ca -0.02 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 60.39 1rkq s VAL 41 Cb -0.14 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 1rkq s VAL 41 CO -0.06 0.00 1.52 -0.76 0.00 0.00 0.00 175.10 175.80 1rkq s LEU 42 N 1.32 4.37 -0.31 3.92 1.43 -1.26 -1.32 118.68 126.83 1rkq s LEU 42 Ca -0.05 2.49 -0.01 0.00 -1.03 0.00 0.00 54.13 55.53 1rkq s LEU 42 Cb -0.18 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.55 1rkq s LEU 42 CO -0.07 -0.77 0.09 -0.89 0.23 0.00 0.00 176.35 174.94 1rkq s THR 43 N 1.39 0.94 0.04 5.49 2.01 -0.14 -1.19 115.64 124.17 1rkq s THR 43 Ca 0.69 -1.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.26 1rkq s THR 43 Cb -0.41 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1rkq s THR 43 CO 0.31 -0.65 -0.03 0.28 -0.69 0.00 0.00 174.62 173.83 1rkq s THR 44 N 1.59 0.18 -0.31 -0.82 -1.32 -0.26 -3.81 115.64 110.88 1rkq s THR 44 Ca 0.09 -1.32 0.27 0.00 -1.21 0.00 0.00 61.69 59.52 1rkq s THR 44 Cb -0.17 -0.84 0.33 0.00 -1.51 0.00 0.00 72.50 70.30 1rkq s THR 44 CO -0.24 -0.72 1.79 1.23 -2.21 0.00 0.00 174.62 174.47 1rkq h GLY 45 N 3.96 0.00 -2.18 6.08 0.00 -1.90 -0.11 103.07 108.92 1rkq h GLY 45 Ca -0.33 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.44 1rkq h GLY 45 CO 0.52 0.00 0.13 0.54 0.00 0.00 0.00 176.54 177.73 1rkq n ARG 46 N -2.76 0.55 -1.69 4.80 1.74 -1.26 -3.46 116.66 114.58 1rkq n ARG 46 Ca 0.03 0.24 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 1rkq n ARG 46 Cb 0.37 -2.24 0.05 0.00 -1.02 0.00 0.00 32.46 29.62 1rkq n ARG 46 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1rkq s PRO 47 N -3.33 2.78 0.59 5.56 0.04 -1.26 -1.29 135.00 138.09 1rkq s PRO 47 Ca 0.74 1.28 0.29 0.00 0.04 0.00 0.00 61.00 63.35 1rkq s PRO 47 Cb -0.35 -1.96 1.58 0.00 0.04 0.00 0.00 34.50 33.81 1rkq s PRO 47 CO 0.50 -1.25 2.00 -0.92 0.04 0.00 0.00 177.00 177.37 1rkq h TYR 48 N -0.20 0.00 -0.11 0.56 3.20 -1.94 -0.31 116.97 118.18 1rkq h TYR 48 Ca -0.46 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.44 1rkq h TYR 48 Cb 1.24 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.50 1rkq h TYR 48 CO 0.56 0.00 0.08 0.00 -1.64 0.00 0.00 178.16 177.17 1rkq h ALA 49 N 1.62 1.97 -0.54 1.82 0.00 -1.88 0.21 119.26 122.44 1rkq h ALA 49 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1rkq h ALA 49 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1rkq h ALA 49 CO -0.00 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1rkq n GLY 50 N -1.50 1.66 0.00 0.00 0.00 -0.13 -4.39 105.19 100.84 1rkq n GLY 50 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1rkq n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rkq n VAL 51 N 1.19 0.00 0.27 1.61 0.31 -0.01 -4.84 118.33 116.86 1rkq n VAL 51 Ca 0.19 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.63 1rkq n VAL 51 Cb 0.50 -0.68 0.73 0.00 -0.91 0.00 0.00 33.84 33.48 1rkq n VAL 51 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1rkq h HIS 52 N 0.00 0.00 -0.15 3.52 2.07 -1.56 -0.68 115.15 118.35 1rkq h HIS 52 Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 1rkq h HIS 52 Cb 0.87 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.84 1rkq h HIS 52 CO 0.00 0.05 -0.43 -0.91 -3.07 0.00 0.00 177.93 173.57 1rkq h ASN 53 N 0.00 0.38 0.52 3.10 2.35 -1.87 -2.18 115.58 117.88 1rkq h ASN 53 Ca -0.00 -0.17 -0.16 0.00 -0.55 0.00 0.00 56.30 55.42 1rkq h ASN 53 Cb 0.10 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1rkq h ASN 53 CO 0.01 0.77 -0.72 1.88 -1.65 0.00 0.00 177.43 177.72 1rkq h TYR 54 N 0.30 0.22 -0.85 1.19 0.05 -1.48 -1.66 116.97 114.75 1rkq h TYR 54 Ca 0.02 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 1rkq h TYR 54 Cb 0.88 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.55 1rkq h TYR 54 CO 0.02 0.82 0.42 -0.07 -1.05 0.00 0.00 178.16 178.31 1rkq h LEU 55 N 0.11 1.10 -0.49 3.88 3.38 -0.93 -1.06 115.31 121.29 1rkq h LEU 55 Ca -0.02 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1rkq h LEU 55 Cb 1.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1rkq h LEU 55 CO 0.11 0.91 -0.14 0.50 0.09 0.00 0.00 178.44 179.91 1rkq h LYS 56 N 1.20 0.97 -0.51 1.13 3.64 -1.24 -0.75 116.57 121.01 1rkq h LYS 56 Ca 0.29 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1rkq h LYS 56 Cb 0.10 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1rkq h LYS 56 CO -0.04 1.05 0.28 1.49 -2.27 0.00 0.00 179.45 179.96 1rkq h GLU 57 N 0.83 0.70 -0.25 1.90 4.81 -0.98 -1.83 114.58 119.76 1rkq h GLU 57 Ca 0.12 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1rkq h GLU 57 Cb 0.71 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1rkq h GLU 57 CO 0.05 0.52 0.00 1.28 -0.73 0.00 0.00 179.01 180.13 1rkq n LEU 58 N -4.41 1.97 -2.87 1.64 4.77 -0.43 -4.95 117.00 112.73 1rkq n LEU 58 Ca 0.04 -0.87 -0.21 0.00 -0.03 0.00 0.00 56.01 54.94 1rkq n LEU 58 Cb 0.10 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1rkq n LEU 58 CO 0.37 0.44 0.05 1.41 -1.33 0.00 0.00 177.39 178.32 1rkq n HIS 59 N 0.53 -1.97 -2.66 -1.77 8.25 -0.69 -4.90 115.22 112.02 1rkq n HIS 59 Ca 0.16 0.57 -0.43 0.00 -0.26 0.00 0.00 57.72 57.76 1rkq n HIS 59 Cb 0.36 -4.29 0.00 0.00 1.12 0.00 0.00 29.99 27.18 1rkq n HIS 59 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1rkq n MET 60 N -3.91 3.75 -0.18 -0.41 2.81 -0.34 -4.57 117.12 114.28 1rkq n MET 60 Ca -0.08 -3.87 0.02 0.00 -1.81 0.00 0.00 57.70 51.96 1rkq n MET 60 Cb 0.60 -2.83 0.03 0.00 -0.71 0.00 0.00 33.22 30.31 1rkq n MET 60 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1rkq n GLU 61 N 3.58 0.85 -1.88 0.03 0.00 -1.26 -4.02 120.64 117.95 1rkq n GLU 61 Ca 0.35 -1.32 -0.31 0.00 0.00 0.00 0.00 57.16 55.89 1rkq n GLU 61 Cb 0.37 -0.82 0.03 0.00 0.00 0.00 0.00 31.44 31.02 1rkq n GLU 61 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1rkq s GLN 62 N -0.84 3.27 0.44 3.44 1.11 -1.26 -4.74 119.66 121.09 1rkq s GLN 62 Ca 0.07 0.62 0.13 0.00 0.01 0.00 0.00 55.36 56.20 1rkq s GLN 62 Cb 0.06 -2.05 0.99 0.00 -1.01 0.00 0.00 33.01 31.00 1rkq s GLN 62 CO 0.01 -0.78 2.00 -1.35 0.01 0.00 0.00 175.29 175.18 1rkq h PRO 63 N -0.47 0.06 -0.41 2.91 0.11 -2.02 -2.86 132.00 129.32 1rkq h PRO 63 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rkq h PRO 63 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1rkq h PRO 63 CO 0.63 0.20 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 1rkq n GLY 64 N -1.06 0.89 3.86 -0.55 0.00 -1.26 -4.91 105.19 102.15 1rkq n GLY 64 Ca -0.02 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1rkq n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rkq s ASP 65 N -0.97 6.71 0.07 1.61 1.01 -1.08 -5.04 116.67 118.98 1rkq s ASP 65 Ca 0.26 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.39 1rkq s ASP 65 Cb 0.14 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 1rkq s ASP 65 CO 0.17 0.21 -0.04 -0.31 0.21 0.00 0.00 175.17 175.41 1rkq s TYR 66 N -1.31 0.66 0.07 4.23 1.51 -1.26 -0.43 117.35 120.82 1rkq s TYR 66 Ca 0.31 -1.01 0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1rkq s TYR 66 Cb -0.15 -0.44 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1rkq s TYR 66 CO 0.17 -0.29 -0.06 0.00 -1.11 0.00 0.00 175.55 174.26 1rkq s ILE 68 N -3.34 1.53 0.42 0.00 1.01 -0.34 -1.04 121.20 119.45 1rkq s ILE 68 Ca 0.07 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1rkq s ILE 68 Cb 0.03 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 1rkq s ILE 68 CO -0.05 0.08 0.03 0.42 0.00 0.00 0.00 174.94 175.43 1rkq s THR 69 N 1.43 1.37 -1.51 2.92 -4.23 -0.26 -1.10 115.64 114.26 1rkq s THR 69 Ca -0.02 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 1rkq s THR 69 Cb -0.17 -2.61 0.08 0.00 1.34 0.00 0.00 72.50 71.15 1rkq s THR 69 CO -0.08 0.00 0.88 -1.22 -0.54 0.00 0.00 174.62 173.67 1rkq n TYR 70 N -0.99 -2.18 -1.88 3.99 4.02 -0.41 -1.41 117.16 118.30 1rkq n TYR 70 Ca -0.09 0.81 -0.19 0.00 -0.01 0.00 0.00 57.90 58.42 1rkq n TYR 70 Cb 0.67 -3.80 -0.05 0.00 -0.02 0.00 0.00 39.34 36.13 1rkq n TYR 70 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1rkq n ASN 71 N -2.72 -5.20 0.00 7.72 5.15 -0.08 -2.06 115.26 118.07 1rkq n ASN 71 Ca 0.03 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1rkq n ASN 71 Cb 0.53 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.26 1rkq n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rkq n GLY 72 N -0.59 0.63 0.25 8.20 0.00 -0.50 -2.39 105.19 110.79 1rkq n GLY 72 Ca -0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1rkq n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rkq h ALA 73 N 0.00 1.01 -3.62 4.61 0.00 -1.35 -3.42 119.26 116.49 1rkq h ALA 73 Ca 0.00 -0.08 -0.47 0.00 0.00 0.00 0.00 54.91 54.36 1rkq h ALA 73 Cb 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 17.45 1rkq h ALA 73 CO 0.00 0.11 -0.80 -1.17 0.00 0.00 0.00 179.25 177.39 1rkq s LEU 74 N -6.43 1.67 -0.15 0.00 2.96 -1.07 -1.79 118.68 113.88 1rkq s LEU 74 Ca 0.01 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1rkq s LEU 74 Cb 0.09 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 46.09 1rkq s LEU 74 CO 0.59 0.04 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.85 1rkq s VAL 75 N 0.47 3.10 0.13 1.68 1.01 -0.47 -1.11 120.40 125.21 1rkq s VAL 75 Ca -0.09 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1rkq s VAL 75 Cb -0.13 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1rkq s VAL 75 CO 0.02 0.51 -0.10 -1.10 0.00 0.00 0.00 175.10 174.42 1rkq s GLN 76 N 0.55 0.99 0.13 2.72 -0.21 -0.21 -0.74 119.66 122.89 1rkq s GLN 76 Ca -0.08 -1.35 -0.30 0.00 0.02 0.00 0.00 55.36 53.65 1rkq s GLN 76 Cb -0.15 -0.61 -0.06 0.00 1.00 0.00 0.00 33.01 33.18 1rkq s GLN 76 CO 0.04 0.08 1.09 0.15 -2.12 0.00 0.00 175.29 174.53 1rkq s LYS 77 N -3.41 4.57 0.33 2.91 -0.14 -0.17 -1.23 119.74 122.60 1rkq s LYS 77 Ca 0.13 1.66 0.16 0.00 -1.36 0.00 0.00 55.97 56.56 1rkq s LYS 77 Cb 0.01 -3.32 0.54 0.00 -1.68 0.00 0.00 37.83 33.37 1rkq s LYS 77 CO 0.00 0.01 1.68 0.00 -0.76 0.00 0.00 175.35 176.28 1rkq h ALA 78 N 5.69 0.97 -0.82 5.17 0.00 -1.02 0.26 119.26 129.51 1rkq h ALA 78 Ca -0.43 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.03 1rkq h ALA 78 Cb 1.21 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1rkq h ALA 78 CO 0.74 0.58 0.42 0.00 0.00 0.00 0.00 179.25 180.99 1rkq h ALA 79 N 1.53 1.06 0.00 0.00 0.00 -1.76 -3.38 119.26 116.71 1rkq h ALA 79 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rkq h ALA 79 Cb 0.99 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1rkq h ALA 79 CO 0.06 0.60 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1rkq n ASP 80 N -4.36 0.29 0.00 0.00 5.75 -1.23 -4.98 116.55 112.02 1rkq n ASP 80 Ca 0.08 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 1rkq n ASP 80 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1rkq n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rkq n GLY 81 N -0.00 0.53 3.78 6.12 0.00 0.08 -4.97 105.19 110.72 1rkq n GLY 81 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1rkq n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rkq s SER 82 N -2.13 6.01 0.12 1.61 1.04 -1.24 -4.72 113.70 114.39 1rkq s SER 82 Ca 0.00 2.17 -0.30 0.00 0.48 0.00 0.00 55.95 58.30 1rkq s SER 82 Cb 0.00 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 1rkq s SER 82 CO 0.00 -1.02 1.04 -0.89 0.98 0.00 0.00 173.24 173.35 1rkq s THR 83 N -1.73 4.24 -0.19 2.02 2.01 -1.26 -1.00 115.64 119.73 1rkq s THR 83 Ca 0.68 1.84 0.07 0.00 0.31 0.00 0.00 61.69 64.59 1rkq s THR 83 Cb -0.24 -4.17 -0.17 0.00 0.01 0.00 0.00 72.50 67.93 1rkq s THR 83 CO 0.28 0.27 -0.08 0.52 -0.69 0.00 0.00 174.62 174.92 1rkq n VAL 84 N 2.82 1.18 -3.72 3.82 0.31 0.09 -4.88 118.33 117.94 1rkq n VAL 84 Ca 0.03 -0.57 -0.13 0.00 -0.01 0.00 0.00 64.34 63.67 1rkq n VAL 84 Cb 0.48 -0.94 -0.10 0.00 -0.91 0.00 0.00 33.84 32.36 1rkq n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rkq s ALA 85 N -2.41 -1.05 -0.02 3.52 0.00 -1.02 -4.98 121.76 115.79 1rkq s ALA 85 Ca -0.19 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1rkq s ALA 85 Cb 0.06 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1rkq s ALA 85 CO 0.57 -0.21 0.07 -1.14 0.00 0.00 0.00 175.76 175.05 1rkq s GLN 86 N 0.43 0.10 -0.16 0.00 0.74 -1.26 -1.36 119.66 118.14 1rkq s GLN 86 Ca -0.02 0.06 -0.05 0.00 0.05 0.00 0.00 55.36 55.41 1rkq s GLN 86 Cb -0.04 0.04 0.06 0.00 1.10 0.00 0.00 33.01 34.17 1rkq s GLN 86 CO -0.02 -0.01 0.08 0.99 -0.55 0.00 0.00 175.29 175.78 1rkq s THR 87 N -0.04 -0.03 0.19 -0.34 2.01 -0.74 -5.04 115.64 111.65 1rkq s THR 87 Ca -0.01 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1rkq s THR 87 Cb -0.01 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1rkq s THR 87 CO 0.00 -0.24 0.33 0.00 -0.69 0.00 0.00 174.62 174.02 1rkq s ALA 88 N 2.11 3.94 0.75 7.40 0.00 -1.26 -4.74 121.76 129.97 1rkq s ALA 88 Ca 0.02 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 1rkq s ALA 88 Cb -0.16 -1.78 0.05 0.00 0.00 0.00 0.00 23.12 21.24 1rkq s ALA 88 CO -0.08 0.40 1.14 -0.51 0.00 0.00 0.00 175.76 176.70 1rkq s LEU 89 N -3.56 3.18 0.76 0.00 1.43 -0.26 -4.85 118.68 115.38 1rkq s LEU 89 Ca 0.35 2.08 -0.07 0.00 -1.03 0.00 0.00 54.13 55.45 1rkq s LEU 89 Cb -0.10 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.67 1rkq s LEU 89 CO 0.29 -2.16 1.07 -0.94 0.23 0.00 0.00 176.35 174.84 1rkq s SER 90 N -2.67 4.36 0.23 2.29 1.04 -1.26 -3.80 113.70 113.89 1rkq s SER 90 Ca 0.67 0.21 -0.07 0.00 0.48 0.00 0.00 55.95 57.24 1rkq s SER 90 Cb -0.22 -0.68 0.27 0.00 0.10 0.00 0.00 66.02 65.49 1rkq s SER 90 CO 0.49 -1.89 1.86 0.22 0.98 0.00 0.00 173.24 174.91 1rkq h TYR 91 N -0.78 0.98 -0.63 5.02 3.20 -1.86 -1.01 116.97 121.88 1rkq h TYR 91 Ca -0.42 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 1rkq h TYR 91 Cb 1.29 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 1rkq h TYR 91 CO -0.11 0.54 0.24 -0.44 -1.64 0.00 0.00 178.16 176.76 1rkq h ASP 92 N 1.00 0.86 -0.08 -2.11 3.32 -1.95 -0.13 116.42 117.33 1rkq h ASP 92 Ca 0.34 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1rkq h ASP 92 Cb 0.06 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1rkq h ASP 92 CO -0.13 0.78 0.05 0.44 -1.72 0.00 0.00 179.24 178.66 1rkq h ASP 93 N 0.92 0.09 -0.15 6.45 3.32 -1.79 -1.10 116.42 124.16 1rkq h ASP 93 Ca 0.21 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.31 1rkq h ASP 93 Cb 0.20 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 1rkq h ASP 93 CO -0.02 0.06 -0.23 0.22 -1.72 0.00 0.00 179.24 177.55 1rkq h TYR 94 N 0.11 -0.62 -0.67 4.55 3.20 -0.67 0.74 116.97 123.60 1rkq h TYR 94 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1rkq h TYR 94 Cb -0.01 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1rkq h TYR 94 CO -0.08 -0.31 0.32 0.00 -1.64 0.00 0.00 178.16 176.45 1rkq h ARG 95 N -0.29 0.96 -0.18 1.82 2.47 -0.81 0.35 114.38 118.69 1rkq h ARG 95 Ca 0.11 -0.13 0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1rkq h ARG 95 Cb 0.45 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 1rkq h ARG 95 CO -0.31 0.74 -0.01 0.35 0.56 0.00 0.00 179.97 181.29 1rkq h PHE 96 N 0.95 -0.04 -0.25 3.04 3.57 -0.83 -2.22 116.94 121.16 1rkq h PHE 96 Ca 0.23 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.59 1rkq h PHE 96 Cb 0.10 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1rkq h PHE 96 CO 0.01 -0.04 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.49 1rkq h LEU 97 N 0.04 0.75 -0.36 0.59 3.38 -0.63 -0.39 115.31 118.70 1rkq h LEU 97 Ca 0.08 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1rkq h LEU 97 Cb 0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1rkq h LEU 97 CO -0.16 1.11 0.19 -0.08 0.09 0.00 0.00 178.44 179.59 1rkq h GLU 98 N 0.54 0.37 -0.40 1.13 4.22 -0.89 -0.45 114.58 119.10 1rkq h GLU 98 Ca 0.03 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.37 1rkq h GLU 98 Cb 1.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1rkq h GLU 98 CO 0.10 0.25 -0.04 -0.22 -2.18 0.00 0.00 179.01 176.91 1rkq h LYS 99 N 0.38 0.66 -0.30 1.92 3.64 -1.26 -2.83 116.57 118.78 1rkq h LYS 99 Ca 0.15 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1rkq h LYS 99 Cb 0.04 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1rkq h LYS 99 CO -0.09 0.71 -0.21 1.25 -2.27 0.00 0.00 179.45 178.84 1rkq h LEU 100 N 0.62 0.57 -1.20 5.20 5.85 -0.84 -1.97 115.31 123.54 1rkq h LEU 100 Ca 0.12 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1rkq h LEU 100 Cb 0.45 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1rkq h LEU 100 CO 0.02 0.78 0.30 -1.28 -0.34 0.00 0.00 178.44 177.92 1rkq h SER 101 N 0.51 0.77 -0.70 1.25 0.87 -0.84 -0.32 113.55 115.09 1rkq h SER 101 Ca 0.08 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 1rkq h SER 101 Cb 0.64 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1rkq h SER 101 CO 0.05 0.65 0.17 0.03 -0.53 0.00 0.00 176.83 177.20 1rkq h ARG 102 N 0.86 1.12 -0.57 2.24 3.08 -1.30 -1.09 114.38 118.71 1rkq h ARG 102 Ca 0.21 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1rkq h ARG 102 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1rkq h ARG 102 CO -0.03 0.99 0.10 1.49 -1.07 0.00 0.00 179.97 181.44 1rkq h GLU 103 N 1.05 0.92 -0.01 0.04 4.81 -0.52 -3.02 114.58 117.85 1rkq h GLU 103 Ca 0.22 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rkq h GLU 103 Cb 0.37 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1rkq h GLU 103 CO 0.00 0.85 -0.30 1.33 -0.73 0.00 0.00 179.01 180.16 1rkq n VAL 104 N -4.24 0.00 -1.73 0.32 0.24 -0.24 -4.98 118.33 107.70 1rkq n VAL 104 Ca 0.04 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1rkq n VAL 104 Cb 0.27 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 1rkq n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rkq n GLY 105 N 1.35 0.89 3.36 7.63 0.00 -0.64 -4.17 105.19 113.61 1rkq n GLY 105 Ca 0.12 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 1rkq n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rkq s SER 106 N -2.75 2.98 0.88 1.61 0.15 -0.51 -4.89 113.70 111.18 1rkq s SER 106 Ca 0.00 -0.81 -0.11 0.00 0.70 0.00 0.00 55.95 55.72 1rkq s SER 106 Cb 0.00 -0.19 0.12 0.00 -1.71 0.00 0.00 66.02 64.24 1rkq s SER 106 CO 0.00 0.06 1.09 -1.00 1.20 0.00 0.00 173.24 174.60 1rkq s HIS 107 N -1.61 2.26 -0.12 3.44 3.76 -1.19 -4.34 115.29 117.49 1rkq s HIS 107 Ca 0.15 1.37 -0.19 0.00 -0.15 0.00 0.00 55.06 56.24 1rkq s HIS 107 Cb -0.08 -3.15 0.05 0.00 1.11 0.00 0.00 32.58 30.51 1rkq s HIS 107 CO 0.07 -2.38 0.48 0.12 -0.85 0.00 0.00 174.74 172.18 1rkq s PHE 108 N -2.88 -0.47 0.14 1.40 5.36 -1.26 -1.89 117.98 118.38 1rkq s PHE 108 Ca 0.63 1.04 -0.11 0.00 -0.96 0.00 0.00 56.93 57.53 1rkq s PHE 108 Cb -0.19 0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.70 1rkq s PHE 108 CO 0.57 -0.35 0.31 -3.38 -1.46 0.00 0.00 175.22 170.92 1rkq s HIS 109 N -0.35 0.16 0.02 10.12 -3.43 -0.70 -4.47 115.29 116.64 1rkq s HIS 109 Ca -0.05 -0.54 0.03 0.00 -0.80 0.00 0.00 55.06 53.70 1rkq s HIS 109 Cb -0.03 0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 31.16 1rkq s HIS 109 CO 0.03 -0.70 -0.09 0.00 -2.00 0.00 0.00 174.74 171.99 1rkq s ALA 110 N -3.90 0.68 -0.04 -1.38 0.00 -0.08 -0.83 121.76 116.22 1rkq s ALA 110 Ca 0.10 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1rkq s ALA 110 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1rkq s ALA 110 CO -0.05 0.10 -0.19 -0.51 0.00 0.00 0.00 175.76 175.11 1rkq s LEU 111 N -0.83 1.96 0.00 0.00 1.02 -0.59 -0.51 118.68 119.73 1rkq s LEU 111 Ca -0.02 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 53.76 1rkq s LEU 111 Cb -0.06 -1.04 0.00 0.00 0.02 0.00 0.00 46.19 45.11 1rkq s LEU 111 CO 0.00 0.18 0.00 -0.90 0.02 0.00 0.00 176.35 175.66 1rkq n ASP 112 N 3.02 0.71 0.30 2.29 5.68 -0.68 -1.50 116.55 126.36 1rkq n ASP 112 Ca -0.17 -0.36 0.17 0.00 -0.50 0.00 0.00 54.79 53.93 1rkq n ASP 112 Cb 0.53 0.00 0.91 0.00 -1.14 0.00 0.00 41.12 41.42 1rkq n ASP 112 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1rkq h ARG 113 N 0.00 0.00 0.00 0.11 9.65 -2.01 -3.32 114.38 118.81 1rkq h ARG 113 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1rkq h ARG 113 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1rkq h ARG 113 CO 0.00 0.04 -0.21 0.25 2.80 0.00 0.00 179.97 182.85 1rkq n THR 114 N -3.44 0.00 -3.95 0.20 -2.24 -1.26 -4.84 114.28 98.75 1rkq n THR 114 Ca -0.02 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 1rkq n THR 114 Cb 0.17 0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 69.04 1rkq n THR 114 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rkq s THR 115 N -0.82 0.08 -0.19 4.28 2.01 -1.25 -4.31 115.64 115.43 1rkq s THR 115 Ca 0.00 -0.64 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 1rkq s THR 115 Cb 0.00 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 1rkq s THR 115 CO 0.00 -0.35 0.03 -0.22 -0.69 0.00 0.00 174.62 173.39 1rkq s LEU 116 N -1.02 3.53 -0.01 4.42 2.96 -0.42 -1.68 118.68 126.45 1rkq s LEU 116 Ca -0.11 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1rkq s LEU 116 Cb -0.07 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1rkq s LEU 116 CO -0.01 0.11 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.58 1rkq s TYR 117 N 0.72 2.23 0.06 5.38 1.51 0.33 -0.77 117.35 126.81 1rkq s TYR 117 Ca 0.02 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1rkq s TYR 117 Cb -0.14 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1rkq s TYR 117 CO 0.02 -0.03 -0.08 -0.08 -1.11 0.00 0.00 175.55 174.28 1rkq s THR 118 N -0.60 0.61 -2.63 -0.71 -1.32 -0.55 -0.90 115.64 109.53 1rkq s THR 118 Ca 0.10 -1.35 0.21 0.00 -1.21 0.00 0.00 61.69 59.45 1rkq s THR 118 Cb -0.10 -0.95 0.19 0.00 -1.51 0.00 0.00 72.50 70.14 1rkq s THR 118 CO -0.01 -0.52 1.20 0.00 -2.21 0.00 0.00 174.62 173.08 1rkq n ALA 119 N 1.00 2.46 -2.63 11.08 0.00 -1.22 -1.02 120.51 130.19 1rkq n ALA 119 Ca -0.20 -0.70 -0.43 0.00 0.00 0.00 0.00 53.44 52.11 1rkq n ALA 119 Cb 0.56 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 1rkq n ALA 119 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1rkq s ASN 120 N -1.75 7.15 0.19 0.00 0.02 -1.26 -4.87 114.94 114.43 1rkq s ASN 120 Ca 0.26 1.52 0.02 0.00 -1.02 0.00 0.00 52.86 53.64 1rkq s ASN 120 Cb 0.18 -2.55 0.11 0.00 0.02 0.00 0.00 41.25 39.01 1rkq s ASN 120 CO 0.27 -0.57 1.46 0.03 0.02 0.00 0.00 177.10 178.31 1rkq h ARG 121 N 7.36 0.26 -5.02 -0.60 3.08 -2.00 -3.33 114.38 114.13 1rkq h ARG 121 Ca -0.26 -0.22 -0.68 0.00 0.07 0.00 0.00 59.98 58.88 1rkq h ARG 121 Cb 1.11 0.05 -0.18 0.00 0.08 0.00 0.00 29.97 31.04 1rkq h ARG 121 CO 0.91 0.89 0.65 0.16 -1.07 0.00 0.00 179.97 181.51 1rkq s ASP 122 N -6.93 6.49 0.16 7.04 -4.77 -1.26 -5.00 116.67 112.39 1rkq s ASP 122 Ca -0.04 -1.78 -0.30 0.00 -3.30 0.00 0.00 52.55 47.12 1rkq s ASP 122 Cb 0.11 -2.38 -0.08 0.00 -1.09 0.00 0.00 42.92 39.48 1rkq s ASP 122 CO 0.82 -1.13 1.28 -0.63 0.70 0.00 0.00 175.17 176.22 1rkq s ILE 123 N 2.85 3.43 0.53 2.11 1.01 -1.25 -4.96 121.20 124.92 1rkq s ILE 123 Ca 0.27 1.13 -0.21 0.00 0.00 0.00 0.00 60.65 61.84 1rkq s ILE 123 Cb -0.10 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1rkq s ILE 123 CO -0.03 0.14 1.22 -0.55 0.00 0.00 0.00 174.94 175.72 1rkq s SER 124 N 0.54 5.62 0.36 3.58 0.15 -1.26 -4.87 113.70 117.82 1rkq s SER 124 Ca 0.58 2.43 0.14 0.00 0.70 0.00 0.00 55.95 59.79 1rkq s SER 124 Cb -0.35 -2.61 0.98 0.00 -1.71 0.00 0.00 66.02 62.34 1rkq s SER 124 CO 0.35 -1.30 1.77 0.22 1.20 0.00 0.00 173.24 175.48 1rkq h TYR 125 N 1.48 0.81 0.00 3.44 3.20 -1.97 -0.53 116.97 123.40 1rkq h TYR 125 Ca -0.50 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1rkq h TYR 125 Cb 1.28 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1rkq h TYR 125 CO 0.49 0.11 0.00 0.66 -1.64 0.00 0.00 178.16 177.78 1rkq n TYR 126 N -4.70 0.78 0.03 -3.82 4.01 -1.26 -0.47 117.16 111.72 1rkq n TYR 126 Ca 0.25 0.23 -0.19 0.00 -0.16 0.00 0.00 57.90 58.03 1rkq n TYR 126 Cb 0.77 -0.87 -0.12 0.00 -0.31 0.00 0.00 39.34 38.80 1rkq n TYR 126 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1rkq h THR 127 N 0.00 1.43 -0.78 -0.72 2.02 -1.48 -2.35 112.91 111.04 1rkq h THR 127 Ca 0.00 -2.24 0.02 0.00 0.77 0.00 0.00 66.41 64.97 1rkq h THR 127 Cb 0.68 2.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.80 1rkq h THR 127 CO 0.00 0.65 0.50 0.58 0.37 0.00 0.00 175.52 177.62 1rkq h VAL 128 N -0.11 1.15 -0.27 3.16 2.07 -1.19 -1.15 116.25 119.90 1rkq h VAL 128 Ca -0.11 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1rkq h VAL 128 Cb 1.47 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1rkq h VAL 128 CO 0.14 0.18 0.13 -0.74 0.02 0.00 0.00 177.57 177.30 1rkq h HIS 129 N 1.00 0.24 -0.53 1.57 6.17 -0.82 -0.20 115.15 122.58 1rkq h HIS 129 Ca 0.30 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.38 1rkq h HIS 129 Cb -0.04 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 29.80 1rkq h HIS 129 CO -0.03 0.13 0.30 1.49 0.71 0.00 0.00 177.93 180.54 1rkq h GLU 130 N 0.28 0.73 -0.59 5.26 4.57 -1.09 0.33 114.58 124.07 1rkq h GLU 130 Ca 0.11 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1rkq h GLU 130 Cb 0.04 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 1rkq h GLU 130 CO -0.08 0.56 0.23 1.03 -1.18 0.00 0.00 179.01 179.57 1rkq h SER 131 N 0.71 0.83 0.07 1.04 0.87 -0.89 -1.51 113.55 114.67 1rkq h SER 131 Ca 0.19 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1rkq h SER 131 Cb 0.03 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1rkq h SER 131 CO -0.03 0.78 -0.03 0.15 -0.53 0.00 0.00 176.83 177.16 1rkq h PHE 132 N 0.83 -0.08 -0.09 2.24 3.57 -0.84 -1.61 116.94 120.95 1rkq h PHE 132 Ca 0.20 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.49 1rkq h PHE 132 Cb 0.21 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1rkq h PHE 132 CO 0.01 0.48 -0.78 0.28 -2.23 0.00 0.00 178.31 176.07 1rkq h VAL 133 N -0.74 1.35 -0.63 1.41 2.07 -1.00 -3.01 116.25 115.70 1rkq h VAL 133 Ca -0.01 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1rkq h VAL 133 Cb 0.60 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1rkq h VAL 133 CO 0.02 0.65 0.00 0.00 0.02 0.00 0.00 177.57 178.26 1rkq n ALA 134 N -2.55 2.53 -3.89 1.67 0.00 -0.57 -4.93 120.51 112.77 1rkq n ALA 134 Ca -0.06 -1.18 -0.28 0.00 0.00 0.00 0.00 53.44 51.92 1rkq n ALA 134 Cb 0.74 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 1rkq n ALA 134 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rkq n THR 135 N 1.30 -3.74 -5.06 0.00 -2.24 -0.68 -1.96 114.28 101.91 1rkq n THR 135 Ca 0.22 -0.62 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 1rkq n THR 135 Cb 0.60 -3.05 -0.16 0.00 -2.10 0.00 0.00 70.33 65.61 1rkq n THR 135 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1rkq s ILE 136 N -3.82 2.29 0.43 2.28 2.07 -0.78 -4.70 121.20 118.97 1rkq s ILE 136 Ca 0.14 -0.93 -0.26 0.00 -1.41 0.00 0.00 60.65 58.19 1rkq s ILE 136 Cb -0.06 -1.90 -0.09 0.00 0.13 0.00 0.00 42.46 40.54 1rkq s ILE 136 CO 0.89 0.55 1.46 -2.84 -1.91 0.00 0.00 174.94 173.08 1rkq s PRO 137 N 0.40 3.78 -0.16 3.50 0.02 -1.26 -4.52 135.00 136.75 1rkq s PRO 137 Ca -0.16 2.49 -0.06 0.00 0.02 0.00 0.00 61.00 63.29 1rkq s PRO 137 Cb -0.17 -2.73 -0.04 0.00 0.02 0.00 0.00 34.50 31.58 1rkq s PRO 137 CO 0.07 -0.77 0.04 -1.17 -0.33 0.00 0.00 177.00 174.84 1rkq s LEU 138 N -2.58 3.73 -0.07 -5.54 2.96 -1.26 -1.30 118.68 114.62 1rkq s LEU 138 Ca 0.59 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.61 1rkq s LEU 138 Cb -0.45 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.32 1rkq s LEU 138 CO 0.59 0.21 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.98 1rkq s VAL 139 N 0.13 1.41 -0.06 1.68 1.01 0.05 -4.99 120.40 119.63 1rkq s VAL 139 Ca 0.04 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1rkq s VAL 139 Cb -0.12 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1rkq s VAL 139 CO 0.01 0.41 0.67 0.12 0.00 0.00 0.00 175.10 176.32 1rkq s PHE 140 N 0.47 3.59 -0.18 5.22 5.36 -1.26 -1.49 117.98 129.68 1rkq s PHE 140 Ca -0.14 1.22 -0.13 0.00 -0.96 0.00 0.00 56.93 56.92 1rkq s PHE 140 Cb -0.16 -2.76 0.05 0.00 -0.34 0.00 0.00 43.02 39.81 1rkq s PHE 140 CO 0.05 0.12 0.46 0.00 -1.46 0.00 0.00 175.22 174.39 1rkq s GLU 142 N 0.84 3.43 0.27 0.00 8.01 -1.26 -3.38 118.70 126.60 1rkq s GLU 142 Ca -0.05 2.16 -0.01 0.00 0.01 0.00 0.00 54.97 57.08 1rkq s GLU 142 Cb -0.06 -2.40 0.51 0.00 -4.31 0.00 0.00 34.13 27.88 1rkq s GLU 142 CO -0.07 -0.93 1.80 0.00 0.01 0.00 0.00 175.26 176.07 1rkq h ALA 143 N 1.83 1.34 0.00 5.21 0.00 -1.94 -1.56 119.26 124.15 1rkq h ALA 143 Ca -0.50 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rkq h ALA 143 Cb 1.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1rkq h ALA 143 CO 0.59 0.05 0.00 -0.85 0.00 0.00 0.00 179.25 179.04 1rkq n GLU 144 N -4.76 0.33 0.00 0.00 0.00 -1.26 -2.59 120.64 112.36 1rkq n GLU 144 Ca 0.17 0.02 0.08 0.00 0.00 0.00 0.00 57.16 57.43 1rkq n GLU 144 Cb 0.38 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.30 1rkq n GLU 144 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1rkq n LYS 145 N -1.33 1.58 -1.82 3.44 5.02 -0.62 -5.00 118.16 119.43 1rkq n LYS 145 Ca 0.12 -0.72 -0.41 0.00 -2.02 0.00 0.00 58.31 55.28 1rkq n LYS 145 Cb 0.24 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1rkq n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1rkq s MET 146 N -2.10 4.06 0.17 1.97 -1.94 -1.01 -4.93 119.30 115.52 1rkq s MET 146 Ca 0.13 2.53 -0.30 0.00 -1.71 0.00 0.00 55.69 56.34 1rkq s MET 146 Cb 0.14 -2.93 -0.08 0.00 2.01 0.00 0.00 34.83 33.97 1rkq s MET 146 CO 0.48 -0.56 1.28 0.34 -0.01 0.00 0.00 175.02 176.55 1rkq s ASP 147 N -0.21 6.95 0.04 3.03 -1.08 -1.26 -4.89 116.67 119.24 1rkq s ASP 147 Ca 0.54 2.31 0.19 0.00 -0.52 0.00 0.00 52.55 55.06 1rkq s ASP 147 Cb -0.46 -2.60 0.79 0.00 -1.46 0.00 0.00 42.92 39.19 1rkq s ASP 147 CO 0.62 -0.50 1.60 -2.65 0.52 0.00 0.00 175.17 174.75 1rkq n PRO 148 N 2.93 0.04 -0.02 4.34 -0.02 -1.26 -1.43 135.00 139.58 1rkq n PRO 148 Ca 0.07 0.22 0.13 0.00 -2.02 0.00 0.00 63.50 61.90 1rkq n PRO 148 Cb 0.44 -1.56 0.44 0.00 -0.02 0.00 0.00 33.50 32.79 1rkq n PRO 148 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rkq n ASN 149 N -1.63 1.78 -4.68 2.55 3.02 -1.26 -4.68 115.26 110.36 1rkq n ASN 149 Ca 0.04 -1.61 -0.44 0.00 -0.03 0.00 0.00 54.58 52.54 1rkq n ASN 149 Cb 0.22 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1rkq n ASN 149 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1rkq n THR 150 N 0.39 1.42 -3.11 3.41 -1.04 -0.51 -4.95 114.28 109.89 1rkq n THR 150 Ca 0.18 -0.35 -0.44 0.00 -2.04 0.00 0.00 64.05 61.39 1rkq n THR 150 Cb 0.39 -1.52 -0.05 0.00 -1.82 0.00 0.00 70.33 67.33 1rkq n THR 150 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1rkq s GLN 151 N -1.05 3.10 -1.17 -2.82 -1.52 -1.26 -4.78 119.66 110.16 1rkq s GLN 151 Ca 0.62 -1.03 -0.20 0.00 -1.95 0.00 0.00 55.36 52.80 1rkq s GLN 151 Cb -0.61 -4.17 0.05 0.00 -0.22 0.00 0.00 33.01 28.06 1rkq s GLN 151 CO 0.55 -1.40 1.65 -0.06 -0.25 0.00 0.00 175.29 175.78 1rkq s PHE 152 N 2.80 2.61 0.31 0.91 0.08 -1.25 -4.27 117.98 119.17 1rkq s PHE 152 Ca 0.15 -1.14 0.04 0.00 0.12 0.00 0.00 56.93 56.09 1rkq s PHE 152 Cb -0.21 -4.67 0.50 0.00 -0.57 0.00 0.00 43.02 38.07 1rkq s PHE 152 CO 0.10 -1.83 1.79 -0.07 -0.10 0.00 0.00 175.22 175.11 1rkq h LEU 153 N 13.11 0.47 -7.42 -0.37 3.38 -1.58 -0.67 115.31 122.23 1rkq h LEU 153 Ca 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1rkq h LEU 153 Cb 0.93 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.45 1rkq h LEU 153 CO 1.43 0.65 0.09 -1.59 0.09 0.00 0.00 178.44 179.10 1rkq s LYS 154 N -4.70 1.32 0.21 1.13 -2.85 -1.21 -4.59 119.74 109.06 1rkq s LYS 154 Ca -0.07 -0.71 0.04 0.00 -1.00 0.00 0.00 55.97 54.23 1rkq s LYS 154 Cb 0.15 0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 36.41 1rkq s LYS 154 CO 0.78 -0.56 -0.05 0.14 0.10 0.00 0.00 175.35 175.76 1rkq s VAL 155 N -3.82 1.20 0.01 1.79 -7.23 -0.64 -1.54 120.40 110.16 1rkq s VAL 155 Ca 0.05 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1rkq s VAL 155 Cb -0.01 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1rkq s VAL 155 CO -0.07 -0.45 -0.01 -0.04 -0.31 0.00 0.00 175.10 174.21 1rkq s MET 156 N -3.80 0.10 -0.18 4.82 -1.94 -0.01 -1.00 119.30 117.30 1rkq s MET 156 Ca 0.25 -0.17 -0.16 0.00 -1.71 0.00 0.00 55.69 53.90 1rkq s MET 156 Cb 0.04 0.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.85 1rkq s MET 156 CO 0.07 -0.01 0.39 -1.64 -0.01 0.00 0.00 175.02 173.82 1rkq s MET 157 N -0.39 4.23 -0.00 2.03 -1.94 -0.73 -1.71 119.30 120.79 1rkq s MET 157 Ca -0.04 0.22 0.02 0.00 -1.71 0.00 0.00 55.69 54.18 1rkq s MET 157 Cb -0.03 -3.49 -0.00 0.00 2.01 0.00 0.00 34.83 33.32 1rkq s MET 157 CO -0.00 0.07 -0.05 0.96 -0.01 0.00 0.00 175.02 175.98 1rkq s ILE 158 N 0.97 0.42 -0.04 2.53 -0.00 -0.79 -0.74 121.20 123.54 1rkq s ILE 158 Ca 0.20 -0.22 -0.30 0.00 -0.00 0.00 0.00 60.65 60.33 1rkq s ILE 158 Cb -0.14 -0.35 0.11 0.00 -0.00 0.00 0.00 42.46 42.07 1rkq s ILE 158 CO 0.07 0.12 1.33 -0.62 -0.00 0.00 0.00 174.94 175.84 1rkq s ASP 159 N -0.11 -0.01 0.29 4.36 -1.08 -1.00 -3.16 116.67 115.96 1rkq s ASP 159 Ca 0.02 -0.12 -0.28 0.00 -0.52 0.00 0.00 52.55 51.65 1rkq s ASP 159 Cb -0.02 0.10 -0.14 0.00 -1.46 0.00 0.00 42.92 41.40 1rkq s ASP 159 CO -0.00 -0.20 0.95 -0.62 0.52 0.00 0.00 175.17 175.82 1rkq n GLU 160 N -0.76 1.21 -0.34 4.34 1.02 -1.26 -4.46 120.64 120.39 1rkq n GLU 160 Ca -0.01 0.43 0.05 0.00 -0.02 0.00 0.00 57.16 57.61 1rkq n GLU 160 Cb 0.60 -1.76 0.21 0.00 -0.02 0.00 0.00 31.44 30.47 1rkq n GLU 160 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1rkq h PRO 161 N 1.85 0.93 -0.30 3.49 0.11 -1.92 -0.31 132.00 135.85 1rkq h PRO 161 Ca -0.39 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 1rkq h PRO 161 Cb 1.35 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1rkq h PRO 161 CO 0.60 0.62 -0.19 0.00 -0.21 0.00 0.00 178.00 178.81 1rkq h ALA 162 N 1.50 1.11 -0.44 -0.75 0.00 -1.88 0.30 119.26 119.10 1rkq h ALA 162 Ca 0.46 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1rkq h ALA 162 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rkq h ALA 162 CO -0.25 0.55 -0.14 0.82 0.00 0.00 0.00 179.25 180.23 1rkq h ILE 163 N 0.49 1.27 -0.46 0.00 2.04 -1.51 -2.13 117.51 117.22 1rkq h ILE 163 Ca 0.08 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1rkq h ILE 163 Cb 0.61 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1rkq h ILE 163 CO 0.04 0.43 0.15 0.25 0.00 0.00 0.00 178.15 179.02 1rkq h LEU 164 N 0.71 0.66 -1.08 1.44 5.85 -0.90 -1.13 115.31 120.87 1rkq h LEU 164 Ca 0.11 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1rkq h LEU 164 Cb 0.69 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1rkq h LEU 164 CO 0.05 0.69 0.10 0.44 -0.34 0.00 0.00 178.44 179.38 1rkq h ASP 165 N 0.60 0.71 -0.73 1.25 3.32 -0.89 0.39 116.42 121.08 1rkq h ASP 165 Ca 0.15 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1rkq h ASP 165 Cb 0.26 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1rkq h ASP 165 CO -0.01 0.71 0.36 1.56 -1.72 0.00 0.00 179.24 180.15 1rkq h GLN 166 N 0.73 1.04 -0.27 3.56 4.20 -1.15 -1.95 115.11 121.26 1rkq h GLN 166 Ca 0.16 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1rkq h GLN 166 Cb 0.30 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1rkq h GLN 166 CO 0.00 0.80 0.11 0.00 -0.67 0.00 0.00 178.83 179.07 1rkq h ALA 167 N 1.18 0.36 -1.00 3.87 0.00 -0.52 -2.85 119.26 120.30 1rkq h ALA 167 Ca 0.25 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1rkq h ALA 167 Cb 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1rkq h ALA 167 CO -0.03 -0.05 0.63 0.82 0.00 0.00 0.00 179.25 180.62 1rkq h ILE 168 N 0.29 0.92 0.00 0.00 2.04 -0.65 -1.76 117.51 118.36 1rkq h ILE 168 Ca 0.09 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1rkq h ILE 168 Cb 0.18 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1rkq h ILE 168 CO -0.01 0.18 -0.10 0.00 0.00 0.00 0.00 178.15 178.22 1rkq h ALA 169 N 1.54 1.12 0.00 1.87 0.00 -1.14 -2.42 119.26 120.23 1rkq h ALA 169 Ca 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1rkq h ALA 169 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rkq h ALA 169 CO -0.26 0.13 -0.37 0.54 0.00 0.00 0.00 179.25 179.28 1rkq n ARG 170 N -3.38 0.23 -2.29 0.00 1.74 -0.70 -4.88 116.66 107.39 1rkq n ARG 170 Ca -0.01 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 1rkq n ARG 170 Cb 0.28 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 1rkq n ARG 170 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1rkq s ILE 171 N -3.11 3.78 0.61 0.55 1.01 -0.91 -4.97 121.20 118.15 1rkq s ILE 171 Ca 0.09 1.21 -0.19 0.00 0.00 0.00 0.00 60.65 61.76 1rkq s ILE 171 Cb 0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1rkq s ILE 171 CO 0.67 0.03 1.26 -2.84 0.00 0.00 0.00 174.94 174.06 1rkq s PRO 172 N 1.88 2.80 0.54 2.79 0.02 -1.26 -4.90 135.00 136.87 1rkq s PRO 172 Ca 0.62 1.97 0.23 0.00 0.02 0.00 0.00 61.00 63.83 1rkq s PRO 172 Cb -0.31 -1.92 1.44 0.00 0.02 0.00 0.00 34.50 33.73 1rkq s PRO 172 CO 0.27 -1.38 2.10 0.37 -0.33 0.00 0.00 177.00 178.04 1rkq h GLN 173 N 0.78 0.00 -0.61 5.54 5.75 -1.97 -1.59 115.11 123.02 1rkq h GLN 173 Ca -0.51 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1rkq h GLN 173 Cb 1.32 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.84 1rkq h GLN 173 CO 0.54 0.00 0.37 1.49 -2.65 0.00 0.00 178.83 178.59 1rkq h GLU 174 N 0.00 0.81 -0.09 1.69 4.81 -1.99 -1.91 114.58 117.90 1rkq h GLU 174 Ca 0.09 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 59.06 1rkq h GLU 174 Cb 0.40 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1rkq h GLU 174 CO -0.00 0.56 -0.77 0.28 -0.73 0.00 0.00 179.01 178.35 1rkq h VAL 175 N 0.83 1.35 0.00 0.32 2.07 -1.65 -1.91 116.25 117.26 1rkq h VAL 175 Ca 0.22 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 1rkq h VAL 175 Cb -0.05 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1rkq h VAL 175 CO -0.04 0.65 -0.05 0.11 0.02 0.00 0.00 177.57 178.25 1rkq h LYS 176 N 0.35 0.00 0.01 1.57 1.57 -1.28 -1.21 116.57 117.58 1rkq h LYS 176 Ca -0.04 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.46 1rkq h LYS 176 Cb 1.37 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.64 1rkq h LYS 176 CO 0.14 0.05 -1.54 0.93 -0.57 0.00 0.00 179.45 178.47 1rkq h GLU 177 N 0.00 0.02 0.00 3.15 4.39 -1.21 -3.36 114.58 117.57 1rkq h GLU 177 Ca -0.00 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 1rkq h GLU 177 Cb 0.21 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1rkq h GLU 177 CO 0.01 0.66 -0.62 -0.22 -1.16 0.00 0.00 179.01 177.68 1rkq h LYS 178 N 0.01 0.00 -5.11 2.33 3.64 -0.85 -3.47 116.57 113.12 1rkq h LYS 178 Ca -0.22 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.80 1rkq h LYS 178 Cb 1.96 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 33.63 1rkq h LYS 178 CO 0.10 0.60 -0.69 0.71 -2.27 0.00 0.00 179.45 177.90 1rkq s TYR 179 N -2.91 1.42 -0.24 1.91 2.02 -0.50 -4.13 117.35 114.93 1rkq s TYR 179 Ca 0.03 -0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 55.63 1rkq s TYR 179 Cb 0.08 -0.77 -0.01 0.00 -0.40 0.00 0.00 41.96 40.87 1rkq s TYR 179 CO 0.76 0.05 1.30 0.99 -1.57 0.00 0.00 175.55 177.08 1rkq s THR 180 N -3.34 4.19 -0.34 -0.71 2.01 -0.05 -4.68 115.64 112.73 1rkq s THR 180 Ca 0.22 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.61 1rkq s THR 180 Cb 0.04 -4.07 0.11 0.00 0.01 0.00 0.00 72.50 68.59 1rkq s THR 180 CO 0.04 -0.31 0.12 -0.69 -0.69 0.00 0.00 174.62 173.09 1rkq s VAL 181 N 4.01 1.16 -0.01 3.82 1.01 -1.26 -1.64 120.40 127.49 1rkq s VAL 181 Ca 0.56 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1rkq s VAL 181 Cb -0.19 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1rkq s VAL 181 CO 0.19 -0.72 0.00 -0.76 0.00 0.00 0.00 175.10 173.82 1rkq s LEU 182 N 1.25 1.52 0.50 3.92 1.43 -0.57 -4.99 118.68 121.75 1rkq s LEU 182 Ca 0.12 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 1rkq s LEU 182 Cb -0.19 -0.11 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 1rkq s LEU 182 CO -0.17 -0.06 1.12 -0.54 0.23 0.00 0.00 176.35 176.93 1rkq s LYS 183 N 0.56 3.61 0.00 1.70 1.02 -1.26 -0.53 119.74 124.83 1rkq s LYS 183 Ca -0.05 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.56 1rkq s LYS 183 Cb -0.08 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1rkq s LYS 183 CO -0.01 -0.64 0.24 -1.13 -0.92 0.00 0.00 175.35 172.89 1rkq n SER 184 N -0.90 0.49 -3.67 2.83 3.41 -0.61 -1.17 113.62 113.99 1rkq n SER 184 Ca 0.09 -0.74 -0.04 0.00 -0.26 0.00 0.00 58.87 57.92 1rkq n SER 184 Cb 0.50 0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 64.93 1rkq n SER 184 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rkq s ALA 185 N -0.49 -1.82 0.49 7.33 0.00 -1.23 -4.84 121.76 121.20 1rkq s ALA 185 Ca 0.00 0.50 0.22 0.00 0.00 0.00 0.00 51.96 52.68 1rkq s ALA 185 Cb 0.00 0.50 1.27 0.00 0.00 0.00 0.00 23.12 24.89 1rkq s ALA 185 CO 0.00 -0.94 1.97 -1.35 0.00 0.00 0.00 175.76 175.44 1rkq h PRO 186 N 2.00 0.15 -0.17 0.00 0.11 -1.98 -2.84 132.00 129.27 1rkq h PRO 186 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1rkq h PRO 186 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rkq h PRO 186 CO 0.27 0.10 0.00 2.48 -0.21 0.00 0.00 178.00 180.64 1rkq n TYR 187 N -4.41 0.22 -4.27 0.65 0.18 -1.26 -4.31 117.16 103.94 1rkq n TYR 187 Ca 0.11 -0.24 -0.29 0.00 1.88 0.00 0.00 57.90 59.36 1rkq n TYR 187 Cb 0.57 -0.01 -0.17 0.00 -0.38 0.00 0.00 39.34 39.35 1rkq n TYR 187 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1rkq s PHE 188 N -0.94 2.01 -0.28 -3.48 0.08 -1.08 -2.37 117.98 111.93 1rkq s PHE 188 Ca 0.17 -1.02 -0.04 0.00 0.12 0.00 0.00 56.93 56.16 1rkq s PHE 188 Cb 0.10 -1.47 0.02 0.00 -0.57 0.00 0.00 43.02 41.10 1rkq s PHE 188 CO 0.14 -0.55 0.02 -1.17 -0.10 0.00 0.00 175.22 173.56 1rkq s LEU 189 N 1.20 3.59 0.07 -0.37 2.96 0.08 -1.58 118.68 124.63 1rkq s LEU 189 Ca -0.02 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 52.75 1rkq s LEU 189 Cb -0.14 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1rkq s LEU 189 CO -0.05 -0.17 1.00 -1.61 -1.32 0.00 0.00 176.35 174.19 1rkq s GLU 190 N 1.40 4.61 -0.07 1.98 0.41 0.31 -1.76 118.70 125.58 1rkq s GLU 190 Ca 0.01 1.49 0.01 0.00 -0.41 0.00 0.00 54.97 56.06 1rkq s GLU 190 Cb -0.17 -3.40 0.02 0.00 -1.78 0.00 0.00 34.13 28.80 1rkq s GLU 190 CO -0.01 0.06 -0.07 0.42 -0.49 0.00 0.00 175.26 175.17 1rkq s ILE 191 N 0.48 0.81 0.37 -1.63 1.01 -0.17 -1.51 121.20 120.56 1rkq s ILE 191 Ca 0.50 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.87 1rkq s ILE 191 Cb -0.23 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.44 1rkq s ILE 191 CO 0.29 0.30 0.56 -1.48 0.00 0.00 0.00 174.94 174.62 1rkq s LEU 192 N 1.19 0.82 0.34 2.97 2.34 -0.65 -1.62 118.68 124.07 1rkq s LEU 192 Ca -0.06 -1.46 -0.29 0.00 0.06 0.00 0.00 54.13 52.38 1rkq s LEU 192 Cb -0.14 1.82 -0.11 0.00 -0.56 0.00 0.00 46.19 47.20 1rkq s LEU 192 CO -0.02 -1.43 1.51 -0.67 -1.06 0.00 0.00 176.35 174.69 1rkq n ASP 193 N -1.54 3.72 0.20 1.48 -0.08 -1.26 -0.87 116.55 118.19 1rkq n ASP 193 Ca -0.01 1.19 0.12 0.00 -1.51 0.00 0.00 54.79 54.58 1rkq n ASP 193 Cb 0.61 -1.60 0.67 0.00 2.34 0.00 0.00 41.12 43.14 1rkq n ASP 193 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1rkq h LYS 194 N 3.68 0.00 -0.00 -0.67 1.63 -1.86 -1.87 116.57 117.48 1rkq h LYS 194 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1rkq h LYS 194 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1rkq h LYS 194 CO 0.70 0.00 -0.09 0.54 -3.45 0.00 0.00 179.45 177.15 1rkq n ARG 195 N -2.38 0.19 -4.14 1.90 1.74 -1.26 -4.76 116.66 107.95 1rkq n ARG 195 Ca -0.02 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.88 1rkq n ARG 195 Cb 0.09 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.90 1rkq n ARG 195 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1rkq s VAL 196 N -2.83 0.49 0.20 1.55 -7.23 -0.70 -4.94 120.40 106.93 1rkq s VAL 196 Ca 0.19 -0.57 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 1rkq s VAL 196 Cb 0.19 -0.48 0.04 0.00 0.56 0.00 0.00 36.38 36.70 1rkq s VAL 196 CO 0.53 -0.07 0.54 -0.46 -0.31 0.00 0.00 175.10 175.33 1rkq n ASN 197 N 2.37 -1.29 0.06 4.85 0.23 -1.25 -4.70 115.26 115.53 1rkq n ASN 197 Ca -0.17 -1.83 -0.01 0.00 -0.53 0.00 0.00 54.58 52.04 1rkq n ASN 197 Cb 0.57 2.14 0.26 0.00 -2.08 0.00 0.00 39.78 40.66 1rkq n ASN 197 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1rkq h LYS 198 N 0.00 0.36 -0.15 -3.83 1.57 -1.72 -1.98 116.57 110.82 1rkq h LYS 198 Ca -0.19 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.29 1rkq h LYS 198 Cb 0.75 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1rkq h LYS 198 CO 0.25 0.59 -0.62 0.78 -0.57 0.00 0.00 179.45 179.88 1rkq h GLY 199 N 1.00 0.57 1.77 3.86 0.00 -1.89 -1.45 103.07 106.93 1rkq h GLY 199 Ca 0.05 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 1rkq h GLY 199 CO 0.04 0.63 -0.22 -0.91 0.00 0.00 0.00 176.54 176.09 1rkq h THR 200 N 0.38 1.23 -0.20 4.70 1.35 -1.86 -0.88 112.91 117.63 1rkq h THR 200 Ca -0.01 -1.05 -0.05 0.00 -0.55 0.00 0.00 66.41 64.76 1rkq h THR 200 Cb 1.17 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1rkq h THR 200 CO 0.11 0.32 -0.05 1.23 -0.25 0.00 0.00 175.52 176.89 1rkq h GLY 201 N 0.92 0.43 0.90 5.82 0.00 -1.10 0.12 103.07 110.16 1rkq h GLY 201 Ca 0.04 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1rkq h GLY 201 CO 0.04 0.32 -0.00 -2.08 0.00 0.00 0.00 176.54 174.81 1rkq h VAL 202 N 0.12 1.26 -0.46 4.60 2.07 -1.10 -2.27 116.25 120.46 1rkq h VAL 202 Ca 0.05 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 1rkq h VAL 202 Cb 0.50 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1rkq h VAL 202 CO 0.02 0.32 0.06 0.50 0.02 0.00 0.00 177.57 178.49 1rkq h LYS 203 N 0.38 0.71 -0.84 1.57 3.64 -1.10 -0.79 116.57 120.14 1rkq h LYS 203 Ca 0.09 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1rkq h LYS 203 Cb 0.45 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1rkq h LYS 203 CO 0.02 0.69 0.43 0.66 -2.27 0.00 0.00 179.45 178.97 1rkq h SER 204 N 0.68 1.08 0.18 4.20 4.64 -0.56 0.47 113.55 124.25 1rkq h SER 204 Ca 0.15 -0.12 -0.23 0.00 -0.47 0.00 0.00 61.79 61.12 1rkq h SER 204 Cb 0.33 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1rkq h SER 204 CO 0.01 0.90 -0.92 0.25 -0.87 0.00 0.00 176.83 176.19 1rkq h LEU 205 N 1.19 0.67 -0.68 5.97 5.85 -0.98 -2.34 115.31 125.00 1rkq h LEU 205 Ca 0.29 -0.51 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 1rkq h LEU 205 Cb 0.09 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1rkq h LEU 205 CO -0.04 1.31 0.19 0.00 -0.34 0.00 0.00 178.44 179.55 1rkq h ALA 206 N 0.66 0.90 -0.49 1.25 0.00 -0.91 -1.09 119.26 119.58 1rkq h ALA 206 Ca -0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1rkq h ALA 206 Cb 1.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1rkq h ALA 206 CO 0.17 0.60 0.03 -0.44 0.00 0.00 0.00 179.25 179.61 1rkq h ASP 207 N 1.01 0.81 0.98 0.00 3.32 -0.85 0.02 116.42 121.71 1rkq h ASP 207 Ca 0.22 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1rkq h ASP 207 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1rkq h ASP 207 CO -0.00 0.90 -0.44 1.62 -1.72 0.00 0.00 179.24 179.60 1rkq h VAL 208 N 0.70 0.94 -0.12 -1.35 3.04 -1.09 -2.56 116.25 115.82 1rkq h VAL 208 Ca 0.14 -1.79 0.00 0.00 -1.01 0.00 0.00 66.70 64.05 1rkq h VAL 208 Cb 0.46 2.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 1rkq h VAL 208 CO 0.02 0.43 0.00 0.18 -1.01 0.00 0.00 177.57 177.19 1rkq n LEU 209 N -3.47 2.41 -3.48 3.16 4.77 -0.44 -4.96 117.00 114.99 1rkq n LEU 209 Ca 0.00 -0.89 -0.21 0.00 -0.03 0.00 0.00 56.01 54.89 1rkq n LEU 209 Cb 0.58 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1rkq n LEU 209 CO 0.38 0.44 0.19 0.61 -1.33 0.00 0.00 177.39 177.68 1rkq n GLY 210 N 1.29 -0.45 3.64 -0.72 0.00 -0.18 -5.01 105.19 103.75 1rkq n GLY 210 Ca 0.17 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1rkq n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rkq s ILE 211 N -3.33 4.82 0.51 -0.61 1.01 -0.20 -5.04 121.20 118.37 1rkq s ILE 211 Ca 0.33 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 1rkq s ILE 211 Cb -0.15 -3.18 -0.08 0.00 0.01 0.00 0.00 42.46 39.07 1rkq s ILE 211 CO 0.72 0.46 0.97 -0.54 0.00 0.00 0.00 174.94 176.54 1rkq s LYS 212 N 0.38 3.92 0.42 2.79 1.02 -1.26 -4.50 119.74 122.52 1rkq s LYS 212 Ca 0.03 0.91 0.17 0.00 0.02 0.00 0.00 55.97 57.10 1rkq s LYS 212 Cb -0.12 -2.16 1.07 0.00 -0.52 0.00 0.00 37.83 36.10 1rkq s LYS 212 CO 0.00 -0.26 1.89 -1.35 -0.92 0.00 0.00 175.35 174.71 1rkq h PRO 213 N 0.91 0.39 0.00 -1.68 0.11 -1.96 -0.41 132.00 129.37 1rkq h PRO 213 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1rkq h PRO 213 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1rkq h PRO 213 CO 0.62 0.26 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 1rkq n GLU 214 N -4.49 0.15 -0.28 1.05 0.28 -1.26 -0.38 120.64 115.71 1rkq n GLU 214 Ca 0.16 0.39 0.09 0.00 -0.16 0.00 0.00 57.16 57.64 1rkq n GLU 214 Cb 0.61 -1.79 0.25 0.00 1.43 0.00 0.00 31.44 31.94 1rkq n GLU 214 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1rkq n GLU 215 N -2.08 2.31 -5.12 3.44 1.02 -0.16 -4.68 120.64 115.37 1rkq n GLU 215 Ca 0.02 -2.03 -0.32 0.00 -0.02 0.00 0.00 57.16 54.81 1rkq n GLU 215 Cb 0.22 -1.44 -0.15 0.00 -0.02 0.00 0.00 31.44 30.04 1rkq n GLU 215 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rkq s ILE 216 N -1.26 2.42 -0.07 -3.67 1.01 -0.76 -0.77 121.20 118.09 1rkq s ILE 216 Ca 0.38 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1rkq s ILE 216 Cb 0.20 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1rkq s ILE 216 CO 0.26 0.57 -0.14 -0.32 0.00 0.00 0.00 174.94 175.31 1rkq s MET 217 N -0.31 2.76 -0.01 2.79 -2.45 -0.39 -1.54 119.30 120.15 1rkq s MET 217 Ca 0.01 -0.69 0.04 0.00 -1.25 0.00 0.00 55.69 53.80 1rkq s MET 217 Cb -0.13 -2.45 -0.01 0.00 1.25 0.00 0.00 34.83 33.49 1rkq s MET 217 CO 0.02 0.51 -0.13 0.00 1.05 0.00 0.00 175.02 176.47 1rkq s ALA 218 N -0.42 1.09 -0.07 4.11 0.00 -0.55 -0.68 121.76 125.24 1rkq s ALA 218 Ca 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.46 1rkq s ALA 218 Cb -0.12 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1rkq s ALA 218 CO 0.02 0.26 -0.12 0.42 0.00 0.00 0.00 175.76 176.34 1rkq s ILE 219 N -0.33 1.14 0.27 0.00 1.01 -0.05 -0.72 121.20 122.52 1rkq s ILE 219 Ca 0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 1rkq s ILE 219 Cb -0.05 -1.04 0.04 0.00 0.01 0.00 0.00 42.46 41.41 1rkq s ILE 219 CO -0.00 0.36 0.53 0.61 0.00 0.00 0.00 174.94 176.44 1rkq n GLY 220 N 3.85 1.36 0.00 6.18 0.00 -0.70 -1.53 105.19 114.35 1rkq n GLY 220 Ca -0.23 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1rkq n GLY 220 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rkq n ASP 221 N -1.39 0.57 -4.09 1.61 5.75 -1.26 -2.39 116.55 115.35 1rkq n ASP 221 Ca -0.06 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.48 1rkq n ASP 221 Cb 0.41 0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 40.51 1rkq n ASP 221 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1rkq s GLN 222 N -0.50 1.88 0.30 0.11 -1.52 -1.26 -1.87 119.66 116.79 1rkq s GLN 222 Ca 0.00 -2.13 0.02 0.00 -1.95 0.00 0.00 55.36 51.30 1rkq s GLN 222 Cb 0.00 -0.54 0.58 0.00 -0.22 0.00 0.00 33.01 32.83 1rkq s GLN 222 CO 0.00 -0.47 1.86 1.49 -0.25 0.00 0.00 175.29 177.92 1rkq h GLU 223 N 1.86 0.94 0.00 2.91 4.81 -1.86 0.75 114.58 124.00 1rkq h GLU 223 Ca -0.35 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1rkq h GLU 223 Cb 1.27 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1rkq h GLU 223 CO 0.56 0.62 0.00 0.27 -0.73 0.00 0.00 179.01 179.74 1rkq n ASN 224 N -4.57 0.00 -0.28 1.04 6.94 -0.32 -2.15 115.26 115.92 1rkq n ASN 224 Ca 0.17 -1.07 0.08 0.00 -0.02 0.00 0.00 54.58 53.74 1rkq n ASN 224 Cb 0.33 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.72 1rkq n ASN 224 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1rkq n ASP 225 N -0.73 1.45 -0.22 0.53 8.00 0.26 -4.58 116.55 121.26 1rkq n ASP 225 Ca 0.08 -1.22 -0.07 0.00 0.71 0.00 0.00 54.79 54.29 1rkq n ASP 225 Cb 0.04 0.62 0.03 0.00 -0.02 0.00 0.00 41.12 41.79 1rkq n ASP 225 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1rkq h ILE 226 N 1.38 1.21 0.00 0.53 2.04 -1.49 -2.00 117.51 119.18 1rkq h ILE 226 Ca 0.00 -0.57 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 1rkq h ILE 226 Cb 0.53 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1rkq h ILE 226 CO 0.00 0.24 -0.49 0.00 0.00 0.00 0.00 178.15 177.89 1rkq h ALA 227 N 1.14 1.04 -0.00 1.87 0.00 -1.82 -0.74 119.26 120.75 1rkq h ALA 227 Ca 0.21 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 1rkq h ALA 227 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rkq h ALA 227 CO -0.03 0.62 -0.87 0.00 0.00 0.00 0.00 179.25 178.96 1rkq h MET 228 N 0.00 0.24 -0.02 0.00 -0.00 -1.80 -1.68 114.93 111.67 1rkq h MET 228 Ca -0.00 -0.25 -0.09 0.00 -0.00 0.00 0.00 59.70 59.36 1rkq h MET 228 Cb 0.96 0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.62 1rkq h MET 228 CO 0.06 0.97 -0.40 0.82 -0.00 0.00 0.00 176.91 178.36 1rkq h ILE 229 N 0.13 1.29 0.07 -0.10 2.04 -0.99 -1.32 117.51 118.64 1rkq h ILE 229 Ca -0.05 -1.39 -0.26 0.00 1.00 0.00 0.00 64.86 64.16 1rkq h ILE 229 Cb 1.50 1.73 0.01 0.00 -0.74 0.00 0.00 36.82 39.32 1rkq h ILE 229 CO 0.14 0.40 -1.11 -0.33 0.00 0.00 0.00 178.15 177.25 1rkq h GLU 230 N 0.03 0.45 -0.27 2.37 5.08 -0.79 -3.28 114.58 118.17 1rkq h GLU 230 Ca -0.00 -0.57 -0.19 0.00 -1.00 0.00 0.00 59.36 57.59 1rkq h GLU 230 Cb 0.72 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1rkq h GLU 230 CO 0.05 1.22 -0.58 -0.92 -1.00 0.00 0.00 179.01 177.78 1rkq h TYR 231 N 0.21 1.09 -4.05 4.33 3.20 -1.15 -3.46 116.97 117.14 1rkq h TYR 231 Ca -0.13 -0.40 -0.53 0.00 3.14 0.00 0.00 58.73 60.81 1rkq h TYR 231 Cb 1.78 -0.20 0.11 0.00 1.54 0.00 0.00 36.73 39.96 1rkq h TYR 231 CO 0.08 1.23 0.54 0.00 -1.64 0.00 0.00 178.16 178.37 1rkq s ALA 232 N -4.07 2.76 0.27 1.82 0.00 -0.51 -4.88 121.76 117.15 1rkq s ALA 232 Ca -0.11 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 1rkq s ALA 232 Cb 0.10 -3.49 0.36 0.00 0.00 0.00 0.00 23.12 20.09 1rkq s ALA 232 CO 0.89 -1.15 1.91 0.78 0.00 0.00 0.00 175.76 178.19 1rkq h GLY 233 N 1.42 1.18 -7.58 0.00 0.00 0.33 -3.32 103.07 95.09 1rkq h GLY 233 Ca -0.50 -0.51 -0.68 0.00 0.00 0.00 0.00 47.33 45.63 1rkq h GLY 233 CO 0.57 0.49 -0.61 0.14 0.00 0.00 0.00 176.54 177.13 1rkq s VAL 234 N -5.77 3.01 -0.18 4.60 1.01 -0.59 -4.99 120.40 117.49 1rkq s VAL 234 Ca -0.12 -2.01 -0.13 0.00 0.00 0.00 0.00 61.98 59.72 1rkq s VAL 234 Cb 0.17 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1rkq s VAL 234 CO 0.81 -0.57 0.26 -0.83 0.00 0.00 0.00 175.10 174.77 1rkq s GLY 235 N 1.52 2.15 -0.09 4.51 0.00 -1.25 -1.48 107.32 112.69 1rkq s GLY 235 Ca 0.07 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.27 1rkq s GLY 235 CO -0.05 0.41 -0.11 0.14 0.00 0.00 0.00 173.10 173.50 1rkq s VAL 236 N 0.57 1.12 -0.14 1.40 1.01 0.10 -0.02 120.40 124.44 1rkq s VAL 236 Ca 0.15 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1rkq s VAL 236 Cb -0.13 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1rkq s VAL 236 CO 0.03 0.36 0.09 0.00 0.00 0.00 0.00 175.10 175.58 1rkq s ALA 237 N 1.05 3.61 0.76 5.51 0.00 -0.75 -1.71 121.76 130.22 1rkq s ALA 237 Ca -0.07 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 1rkq s ALA 237 Cb -0.15 -1.88 0.05 0.00 0.00 0.00 0.00 23.12 21.15 1rkq s ALA 237 CO -0.01 0.45 1.11 0.14 0.00 0.00 0.00 175.76 177.45 1rkq s VAL 238 N -0.48 3.05 -0.28 0.00 -7.23 -1.00 -0.65 120.40 113.81 1rkq s VAL 238 Ca 0.11 0.39 0.26 0.00 -1.81 0.00 0.00 61.98 60.93 1rkq s VAL 238 Cb -0.12 -2.83 0.29 0.00 0.56 0.00 0.00 36.38 34.28 1rkq s VAL 238 CO 0.02 -0.40 1.79 -0.78 -0.31 0.00 0.00 175.10 175.42 1rkq h ASP 239 N -0.87 0.00 -0.40 4.85 3.58 -0.92 -0.81 116.42 121.84 1rkq h ASP 239 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1rkq h ASP 239 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1rkq h ASP 239 CO 0.50 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 176.40 1rkq n ASN 240 N -2.47 3.67 -4.81 2.28 6.94 -1.26 -4.89 115.26 114.73 1rkq n ASN 240 Ca 0.01 -2.44 -0.32 0.00 -0.02 0.00 0.00 54.58 51.81 1rkq n ASN 240 Cb 0.23 -0.54 0.02 0.00 -2.36 0.00 0.00 39.78 37.12 1rkq n ASN 240 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rkq s ALA 241 N -1.93 2.74 0.86 -2.53 0.00 -0.31 -5.01 121.76 115.57 1rkq s ALA 241 Ca 0.35 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 1rkq s ALA 241 Cb 0.24 -3.21 0.11 0.00 0.00 0.00 0.00 23.12 20.25 1rkq s ALA 241 CO 0.13 -0.89 1.09 0.96 0.00 0.00 0.00 175.76 177.06 1rkq s ILE 242 N -2.60 2.85 0.43 0.00 -4.36 -0.78 -4.81 121.20 111.93 1rkq s ILE 242 Ca 0.62 0.28 0.11 0.00 -0.26 0.00 0.00 60.65 61.40 1rkq s ILE 242 Cb -0.15 -2.70 0.21 0.00 1.25 0.00 0.00 42.46 41.06 1rkq s ILE 242 CO 0.41 -0.36 2.01 -0.65 0.24 0.00 0.00 174.94 176.59 1rkq h PRO 243 N -1.45 0.19 0.00 0.37 0.11 -1.96 -0.99 132.00 128.27 1rkq h PRO 243 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1rkq h PRO 243 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1rkq h PRO 243 CO 0.52 0.25 0.00 0.66 -0.21 0.00 0.00 178.00 179.22 1rkq h SER 244 N 0.19 0.00 0.33 -2.05 4.64 -1.97 -1.41 113.55 113.28 1rkq h SER 244 Ca 0.04 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.04 1rkq h SER 244 Cb 0.20 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1rkq h SER 244 CO 0.01 0.00 -1.58 0.58 -0.87 0.00 0.00 176.83 174.97 1rkq h VAL 245 N 0.00 1.13 -0.62 0.95 2.07 -1.53 -3.31 116.25 114.94 1rkq h VAL 245 Ca 0.00 -2.69 -0.00 0.00 0.82 0.00 0.00 66.70 64.82 1rkq h VAL 245 Cb 0.66 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 1rkq h VAL 245 CO 0.00 0.84 0.37 0.11 0.02 0.00 0.00 177.57 178.90 1rkq h LYS 246 N 0.10 0.83 -0.03 1.57 1.57 -1.03 -2.69 116.57 116.89 1rkq h LYS 246 Ca -0.28 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 1rkq h LYS 246 Cb 2.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 34.20 1rkq h LYS 246 CO 0.20 0.59 -0.37 0.93 -0.57 0.00 0.00 179.45 180.22 1rkq h GLU 247 N 0.85 0.06 -0.00 3.15 5.08 -1.36 -2.34 114.58 120.02 1rkq h GLU 247 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1rkq h GLU 247 Cb -0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1rkq h GLU 247 CO -0.04 0.43 -0.51 1.33 -1.00 0.00 0.00 179.01 179.22 1rkq n VAL 248 N -4.08 0.00 -2.66 3.13 0.24 -1.05 -4.97 118.33 108.94 1rkq n VAL 248 Ca -0.02 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.34 61.89 1rkq n VAL 248 Cb 0.42 0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 33.16 1rkq n VAL 248 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rkq s ALA 249 N -2.87 3.05 0.14 2.33 0.00 -0.88 -4.75 121.76 118.78 1rkq s ALA 249 Ca 0.14 0.57 0.11 0.00 0.00 0.00 0.00 51.96 52.78 1rkq s ALA 249 Cb 0.18 -3.22 0.17 0.00 0.00 0.00 0.00 23.12 20.25 1rkq s ALA 249 CO 0.68 -0.07 1.49 -0.91 0.00 0.00 0.00 175.76 176.95 1rkq h ASN 250 N 2.26 0.00 -3.69 0.00 4.21 -0.76 -3.46 115.58 114.15 1rkq h ASN 250 Ca -0.48 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 56.78 1rkq h ASN 250 Cb 1.20 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 38.11 1rkq h ASN 250 CO 0.62 0.70 -0.72 0.12 -1.29 0.00 0.00 177.43 176.85 1rkq s PHE 251 N -3.20 0.02 -0.42 1.19 5.36 -0.99 -5.01 117.98 114.93 1rkq s PHE 251 Ca 0.00 0.03 -0.12 0.00 -0.96 0.00 0.00 56.93 55.88 1rkq s PHE 251 Cb 0.11 -0.06 0.05 0.00 -0.34 0.00 0.00 43.02 42.78 1rkq s PHE 251 CO 0.77 -0.02 0.28 0.08 -1.46 0.00 0.00 175.22 174.87 1rkq s VAL 252 N 0.24 4.72 0.43 3.12 1.01 -1.26 -1.81 120.40 126.85 1rkq s VAL 252 Ca -0.02 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1rkq s VAL 252 Cb -0.03 -3.75 0.09 0.00 0.00 0.00 0.00 36.38 32.69 1rkq s VAL 252 CO -0.01 -0.41 0.59 1.07 0.00 0.00 0.00 175.10 176.34 1rkq n THR 253 N 5.05 0.00 -1.12 3.92 5.66 0.18 -4.90 114.28 123.07 1rkq n THR 253 Ca -0.11 -0.61 -0.30 0.00 -3.05 0.00 0.00 64.05 59.98 1rkq n THR 253 Cb 0.45 -1.49 0.15 0.00 -1.55 0.00 0.00 70.33 67.89 1rkq n THR 253 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1rkq s LYS 254 N -4.12 0.97 1.07 1.09 1.02 -1.26 -1.55 119.74 116.96 1rkq s LYS 254 Ca 0.35 0.83 -0.12 0.00 0.02 0.00 0.00 55.97 57.05 1rkq s LYS 254 Cb -0.01 -1.78 0.23 0.00 -0.52 0.00 0.00 37.83 35.75 1rkq s LYS 254 CO 0.24 -2.44 1.06 -1.54 -0.92 0.00 0.00 175.35 171.76 1rkq s SER 255 N -3.31 1.89 0.31 2.83 1.04 -1.26 -2.41 113.70 112.79 1rkq s SER 255 Ca 0.64 1.43 0.03 0.00 0.48 0.00 0.00 55.95 58.53 1rkq s SER 255 Cb -0.19 -2.14 0.61 0.00 0.10 0.00 0.00 66.02 64.39 1rkq s SER 255 CO 0.58 -3.62 1.90 -0.55 0.98 0.00 0.00 173.24 172.52 1rkq h ASN 256 N -2.23 0.84 0.32 7.02 -1.07 -1.81 -0.32 115.58 118.34 1rkq h ASN 256 Ca -0.57 0.02 -0.07 0.00 0.07 0.00 0.00 56.30 55.75 1rkq h ASN 256 Cb 1.32 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 37.41 1rkq h ASN 256 CO 0.53 0.51 -0.33 -0.07 0.07 0.00 0.00 177.43 178.14 1rkq h LEU 257 N 0.94 0.01 -3.60 6.14 3.38 -1.91 -2.77 115.31 117.50 1rkq h LEU 257 Ca 0.41 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.24 1rkq h LEU 257 Cb 0.34 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1rkq h LEU 257 CO -0.17 0.34 0.15 -0.62 0.09 0.00 0.00 178.44 178.23 1rkq n GLU 258 N -4.15 3.65 -3.39 1.13 -0.58 -0.75 -4.97 120.64 111.59 1rkq n GLU 258 Ca -0.02 -3.07 -0.17 0.00 -0.42 0.00 0.00 57.16 53.48 1rkq n GLU 258 Cb 0.37 -2.13 0.09 0.00 -0.57 0.00 0.00 31.44 29.19 1rkq n GLU 258 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1rkq n ASP 259 N -0.16 -2.66 -0.30 1.62 8.00 -0.80 -4.70 116.55 117.55 1rkq n ASP 259 Ca 0.35 -0.63 -0.02 0.00 0.71 0.00 0.00 54.79 55.20 1rkq n ASP 259 Cb 1.24 -5.09 0.15 0.00 -0.02 0.00 0.00 41.12 37.41 1rkq n ASP 259 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1rkq h GLY 260 N -1.77 1.25 1.02 0.44 0.00 -1.18 -0.24 103.07 102.59 1rkq h GLY 260 Ca -0.59 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.20 1rkq h GLY 260 CO 0.49 0.50 0.32 -2.08 0.00 0.00 0.00 176.54 175.76 1rkq h VAL 261 N 1.19 1.24 -0.31 4.60 2.07 -1.83 -1.22 116.25 122.00 1rkq h VAL 261 Ca 0.31 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 1rkq h VAL 261 Cb -0.06 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1rkq h VAL 261 CO -0.06 0.30 -0.14 0.00 0.02 0.00 0.00 177.57 177.69 1rkq h ALA 262 N 1.15 1.19 -0.27 1.67 0.00 -1.39 -1.85 119.26 119.76 1rkq h ALA 262 Ca 0.25 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1rkq h ALA 262 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rkq h ALA 262 CO -0.03 0.52 -0.33 0.35 0.00 0.00 0.00 179.25 179.76 1rkq h PHE 263 N 0.49 0.68 -0.07 0.00 3.57 -1.00 -0.03 116.94 120.59 1rkq h PHE 263 Ca 0.09 -0.18 -0.22 0.00 3.53 0.00 0.00 57.97 61.19 1rkq h PHE 263 Cb 0.53 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1rkq h PHE 263 CO 0.02 0.85 -0.84 0.00 -2.23 0.00 0.00 178.31 176.10 1rkq h ALA 264 N 1.14 0.40 -0.60 2.41 0.00 -1.06 -1.81 119.26 119.73 1rkq h ALA 264 Ca 0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1rkq h ALA 264 Cb 0.82 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1rkq h ALA 264 CO 0.07 0.75 0.17 0.82 0.00 0.00 0.00 179.25 181.05 1rkq h ILE 265 N 0.35 1.24 -0.43 0.00 2.04 -1.01 -2.22 117.51 117.48 1rkq h ILE 265 Ca -0.06 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 1rkq h ILE 265 Cb 1.46 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1rkq h ILE 265 CO 0.16 0.32 0.04 -0.33 0.00 0.00 0.00 178.15 178.33 1rkq h GLU 266 N 0.89 0.73 -0.33 2.37 5.08 -0.88 -0.26 114.58 122.19 1rkq h GLU 266 Ca 0.20 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1rkq h GLU 266 Cb 0.29 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1rkq h GLU 266 CO -0.00 0.78 0.04 -0.22 -1.00 0.00 0.00 179.01 178.61 1rkq h LYS 267 N 0.58 0.55 0.00 2.33 3.64 -1.16 -1.65 116.57 120.85 1rkq h LYS 267 Ca 0.13 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1rkq h LYS 267 Cb 0.42 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1rkq h LYS 267 CO 0.01 0.65 -1.58 0.66 -2.27 0.00 0.00 179.45 176.92 1rkq n TYR 268 N -4.59 0.00 0.02 1.91 4.01 -0.85 -4.54 117.16 113.12 1rkq n TYR 268 Ca -0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.70 1rkq n TYR 268 Cb 0.23 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 38.94 1rkq n TYR 268 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1rkq n VAL 269 N -1.95 0.93 0.22 -0.72 0.31 -0.20 -4.62 118.33 112.29 1rkq n VAL 269 Ca -0.02 0.24 0.12 0.00 -0.01 0.00 0.00 64.34 64.67 1rkq n VAL 269 Cb 0.42 -1.64 0.15 0.00 -0.91 0.00 0.00 33.84 31.86 1rkq n VAL 269 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1rkq h LEU 270 N -0.13 0.00 -0.54 7.52 3.38 -1.24 -3.50 115.31 120.82 1rkq h LEU 270 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1rkq h LEU 270 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1rkq h LEU 270 CO -0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.10