#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxc h ASP 5 N 0.00 0.00 -3.66 -3.46 3.32 -1.53 -3.47 116.42 107.62 1rxc h ASP 5 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1rxc h ASP 5 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1rxc h ASP 5 CO 0.00 0.06 -0.82 0.68 -1.72 0.00 0.00 179.24 177.44 1rxc s VAL 6 N -3.26 2.58 0.05 -1.35 -7.23 -1.22 -5.05 120.40 104.92 1rxc s VAL 6 Ca 0.02 -1.69 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 1rxc s VAL 6 Cb 0.08 -2.19 -0.16 0.00 0.56 0.00 0.00 36.38 34.68 1rxc s VAL 6 CO 0.75 0.05 1.28 0.15 -0.31 0.00 0.00 175.10 177.02 1rxc h PHE 7 N 3.65 0.67 0.04 2.82 3.04 -1.94 -3.34 116.94 121.88 1rxc h PHE 7 Ca -0.50 -0.26 -0.36 0.00 3.98 0.00 0.00 57.97 60.84 1rxc h PHE 7 Cb 1.18 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.53 1rxc h PHE 7 CO 0.62 1.01 -2.02 0.72 -2.02 0.00 0.00 178.31 176.62 1rxc n HIS 8 N -4.30 0.69 0.14 0.41 8.25 -1.26 -4.61 115.22 114.54 1rxc n HIS 8 Ca -0.07 0.20 0.01 0.00 -0.26 0.00 0.00 57.72 57.61 1rxc n HIS 8 Cb 0.53 -1.08 0.10 0.00 1.12 0.00 0.00 29.99 30.66 1rxc n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rxc h LEU 9 N -0.42 0.00 -1.55 2.41 3.38 -1.93 -3.44 115.31 113.76 1rxc h LEU 9 Ca -0.49 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1rxc h LEU 9 Cb 1.74 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.53 1rxc h LEU 9 CO -0.13 0.57 -0.19 0.61 0.09 0.00 0.00 178.44 179.39 1rxc n GLY 10 N 0.89 0.36 3.25 0.83 0.00 -1.25 -4.65 105.19 104.62 1rxc n GLY 10 Ca 0.01 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 1rxc n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxc s LEU 11 N -2.97 2.42 0.35 0.99 1.43 -1.26 -4.81 118.68 114.84 1rxc s LEU 11 Ca 0.06 -0.84 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1rxc s LEU 11 Cb -0.03 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 1rxc s LEU 11 CO 0.19 -0.16 0.05 0.42 0.23 0.00 0.00 176.35 177.09 1rxc s THR 12 N -2.28 2.64 0.19 5.49 -4.23 -1.26 -1.19 115.64 115.00 1rxc s THR 12 Ca 0.10 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.59 1rxc s THR 12 Cb -0.04 -2.86 0.11 0.00 1.34 0.00 0.00 72.50 71.06 1rxc s THR 12 CO 0.03 -0.17 1.72 0.11 -0.54 0.00 0.00 174.62 175.77 1rxc h LYS 13 N 1.72 0.27 -0.85 3.99 1.79 -1.97 -2.59 116.57 118.93 1rxc h LYS 13 Ca -0.43 -0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.13 1rxc h LYS 13 Cb 1.25 -0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.76 1rxc h LYS 13 CO 0.67 0.18 0.48 -0.97 -1.08 0.00 0.00 179.45 178.73 1rxc h ASN 14 N 0.27 0.67 -0.67 0.86 -0.73 -1.96 -1.92 115.58 112.11 1rxc h ASN 14 Ca 0.26 0.06 0.12 0.00 1.87 0.00 0.00 56.30 58.60 1rxc h ASN 14 Cb 0.34 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 1rxc h ASN 14 CO -0.32 0.36 0.45 0.44 -0.37 0.00 0.00 177.43 177.99 1rxc h ASP 15 N 0.78 0.39 1.08 1.15 3.32 -1.86 -1.17 116.42 120.11 1rxc h ASP 15 Ca 0.43 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.40 1rxc h ASP 15 Cb 0.45 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1rxc h ASP 15 CO -0.28 0.22 -0.40 -0.07 -1.72 0.00 0.00 179.24 176.99 1rxc h LEU 16 N 0.43 0.00 1.71 1.55 4.07 -1.37 -3.48 115.31 118.22 1rxc h LEU 16 Ca 0.32 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.89 1rxc h LEU 16 Cb 0.65 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.40 1rxc h LEU 16 CO -0.09 0.40 -0.55 0.00 -1.08 0.00 0.00 178.44 177.12 1rxc n GLN 17 N -3.40 -3.49 -0.25 1.13 6.02 -0.44 -2.20 117.38 114.75 1rxc n GLN 17 Ca 0.01 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1rxc n GLN 17 Cb 0.58 -5.61 0.00 0.00 1.02 0.00 0.00 30.24 26.23 1rxc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxc n GLY 18 N -1.25 0.66 3.68 1.08 0.00 -1.26 -4.82 105.19 103.27 1rxc n GLY 18 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1rxc n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc n ALA 19 N -1.20 1.07 -0.25 4.61 0.00 -0.94 -4.93 120.51 118.89 1rxc n ALA 19 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1rxc n ALA 19 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1rxc n ALA 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxc n THR 20 N 1.14 0.35 -4.45 0.00 -2.24 -1.26 -4.37 114.28 103.45 1rxc n THR 20 Ca 0.09 -0.55 -0.20 0.00 -2.27 0.00 0.00 64.05 61.12 1rxc n THR 20 Cb 0.33 0.96 -0.15 0.00 -2.10 0.00 0.00 70.33 69.37 1rxc n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxc s LEU 21 N -0.35 1.99 -0.03 3.22 0.20 -1.26 -0.59 118.68 121.87 1rxc s LEU 21 Ca 0.00 -0.19 0.01 0.00 0.69 0.00 0.00 54.13 54.64 1rxc s LEU 21 Cb 0.00 -0.55 0.01 0.00 -0.43 0.00 0.00 46.19 45.23 1rxc s LEU 21 CO 0.00 0.12 -0.04 0.00 -0.29 0.00 0.00 176.35 176.14 1rxc s ALA 22 N -0.19 0.56 -0.13 5.97 0.00 -0.00 -1.89 121.76 126.07 1rxc s ALA 22 Ca 0.03 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 1rxc s ALA 22 Cb -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1rxc s ALA 22 CO -0.00 0.03 0.47 0.42 0.00 0.00 0.00 175.76 176.68 1rxc s ILE 23 N 0.60 5.19 -0.48 0.00 1.01 0.56 -1.34 121.20 126.73 1rxc s ILE 23 Ca -0.07 0.93 0.03 0.00 0.00 0.00 0.00 60.65 61.54 1rxc s ILE 23 Cb -0.11 -3.81 0.13 0.00 0.01 0.00 0.00 42.46 38.68 1rxc s ILE 23 CO -0.00 0.31 0.25 0.68 0.00 0.00 0.00 174.94 176.17 1rxc s VAL 24 N 0.75 2.07 0.79 2.92 -7.23 0.13 -1.47 120.40 118.36 1rxc s VAL 24 Ca 0.25 -2.97 -0.12 0.00 -1.81 0.00 0.00 61.98 57.34 1rxc s VAL 24 Cb -0.15 -2.44 0.07 0.00 0.56 0.00 0.00 36.38 34.41 1rxc s VAL 24 CO 0.10 -0.84 1.11 -2.16 -0.31 0.00 0.00 175.10 173.01 1rxc s PRO 25 N 0.01 2.13 -0.08 4.82 0.04 -1.23 -3.58 135.00 137.11 1rxc s PRO 25 Ca 0.17 0.46 -0.24 0.00 0.04 0.00 0.00 61.00 61.43 1rxc s PRO 25 Cb -0.25 -1.94 -0.29 0.00 0.04 0.00 0.00 34.50 32.06 1rxc s PRO 25 CO -0.00 -1.55 0.83 0.78 0.04 0.00 0.00 177.00 177.10 1rxc h GLY 26 N -1.03 0.22 -5.22 0.56 0.00 -1.84 -0.48 103.07 95.29 1rxc h GLY 26 Ca -0.47 -0.56 -0.57 0.00 0.00 0.00 0.00 47.33 45.73 1rxc h GLY 26 CO 0.62 0.49 0.85 -0.35 0.00 0.00 0.00 176.54 178.15 1rxc s ASP 27 N -6.72 7.00 0.39 0.19 3.68 -1.26 -1.23 116.67 118.73 1rxc s ASP 27 Ca -0.16 1.44 0.10 0.00 2.13 0.00 0.00 52.55 56.06 1rxc s ASP 27 Cb -0.00 -2.54 0.90 0.00 -1.45 0.00 0.00 42.92 39.82 1rxc s ASP 27 CO 0.78 -0.75 1.95 1.55 0.13 0.00 0.00 175.17 178.82 1rxc h PRO 28 N 7.88 0.56 0.00 4.34 0.13 -1.89 -2.16 132.00 140.86 1rxc h PRO 28 Ca -0.22 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1rxc h PRO 28 Cb 1.08 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1rxc h PRO 28 CO 0.99 0.37 -0.17 -0.44 -0.23 0.00 0.00 178.00 178.52 1rxc h ASP 29 N 0.58 0.00 1.24 1.44 3.32 -1.95 -2.68 116.42 118.37 1rxc h ASP 29 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1rxc h ASP 29 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1rxc h ASP 29 CO -0.11 0.17 0.00 -0.09 -1.72 0.00 0.00 179.24 177.49 1rxc h ARG 30 N 0.00 0.00 -0.09 3.56 2.43 -1.79 -3.37 114.38 115.11 1rxc h ARG 30 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1rxc h ARG 30 Cb 0.47 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1rxc h ARG 30 CO 0.02 0.00 0.03 0.28 -1.51 0.00 0.00 179.97 178.79 1rxc h VAL 31 N 0.00 1.18 -0.48 0.20 2.07 -1.53 -2.45 116.25 115.25 1rxc h VAL 31 Ca 0.00 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1rxc h VAL 31 Cb 0.62 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1rxc h VAL 31 CO 0.00 0.16 0.19 -0.08 0.02 0.00 0.00 177.57 177.86 1rxc h GLU 32 N -0.05 0.37 -0.81 1.57 4.81 -1.77 -2.15 114.58 116.55 1rxc h GLU 32 Ca 0.03 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1rxc h GLU 32 Cb 0.23 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 1rxc h GLU 32 CO -0.00 0.25 0.43 0.87 -0.73 0.00 0.00 179.01 179.83 1rxc h LYS 33 N 0.38 0.66 -0.11 1.92 1.57 -1.69 -1.39 116.57 117.91 1rxc h LYS 33 Ca 0.22 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1rxc h LYS 33 Cb 0.20 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1rxc h LYS 33 CO -0.20 0.44 -0.50 0.82 -0.57 0.00 0.00 179.45 179.43 1rxc h ILE 34 N 0.68 1.36 0.00 1.86 2.04 -1.09 -3.20 117.51 119.16 1rxc h ILE 34 Ca 0.42 -1.81 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1rxc h ILE 34 Cb 0.49 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1rxc h ILE 34 CO -0.30 0.55 -0.13 0.00 0.00 0.00 0.00 178.15 178.26 1rxc h ALA 35 N 0.49 1.38 0.00 1.87 0.00 -1.08 -2.65 119.26 119.27 1rxc h ALA 35 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rxc h ALA 35 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1rxc h ALA 35 CO 0.10 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1rxc n ALA 36 N -2.33 2.14 0.47 0.00 0.00 -0.55 -2.41 120.51 117.82 1rxc n ALA 36 Ca -0.02 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1rxc n ALA 36 Cb 0.24 -1.45 0.42 0.00 0.00 0.00 0.00 19.45 18.65 1rxc n ALA 36 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rxc h LEU 37 N 0.00 0.00 0.00 0.00 3.38 -1.54 -3.46 115.31 113.69 1rxc h LEU 37 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1rxc h LEU 37 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1rxc h LEU 37 CO 0.00 0.00 -0.01 0.23 0.09 0.00 0.00 178.44 178.75 1rxc n MET 38 N -2.45 1.10 -3.94 1.13 2.81 -1.01 -5.13 117.12 109.62 1rxc n MET 38 Ca 0.04 -0.27 -0.27 0.00 -1.81 0.00 0.00 57.70 55.39 1rxc n MET 38 Cb 0.38 -0.01 -0.03 0.00 -0.71 0.00 0.00 33.22 32.85 1rxc n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxc s ASP 39 N -1.29 6.32 -1.43 7.83 -0.00 -0.37 -4.63 116.67 123.09 1rxc s ASP 39 Ca 0.04 0.18 -0.01 0.00 -0.00 0.00 0.00 52.55 52.76 1rxc s ASP 39 Cb -0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 42.92 41.01 1rxc s ASP 39 CO 0.03 0.07 0.32 0.29 -0.00 0.00 0.00 175.17 175.89 1rxc n LYS 40 N -0.38 -2.59 -1.97 8.23 5.02 -1.26 -0.43 118.16 124.78 1rxc n LYS 40 Ca -0.07 0.32 -0.41 0.00 -2.02 0.00 0.00 58.31 56.13 1rxc n LYS 40 Cb 0.53 -4.24 -0.02 0.00 -0.02 0.00 0.00 35.03 31.28 1rxc n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1rxc s PRO 41 N -6.76 4.24 -0.08 1.97 0.04 -1.26 -4.49 135.00 128.65 1rxc s PRO 41 Ca 0.02 2.37 -0.04 0.00 0.04 0.00 0.00 61.00 63.39 1rxc s PRO 41 Cb -0.01 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.50 1rxc s PRO 41 CO 0.92 -0.43 0.19 0.08 0.04 0.00 0.00 177.00 177.80 1rxc s VAL 42 N -0.37 -0.04 0.23 -0.36 1.01 0.03 -5.00 120.40 115.90 1rxc s VAL 42 Ca 0.57 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1rxc s VAL 42 Cb -0.43 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 1rxc s VAL 42 CO 0.49 0.07 1.19 -0.75 0.00 0.00 0.00 175.10 176.09 1rxc s LYS 43 N 1.21 4.51 -0.11 2.72 2.20 -1.26 -0.74 119.74 128.28 1rxc s LYS 43 Ca -0.09 1.91 0.01 0.00 -0.36 0.00 0.00 55.97 57.43 1rxc s LYS 43 Cb -0.11 -3.20 -0.07 0.00 -1.51 0.00 0.00 37.83 32.94 1rxc s LYS 43 CO -0.07 -0.02 -0.10 1.28 -0.36 0.00 0.00 175.35 176.08 1rxc n LEU 44 N 1.92 2.93 -3.59 5.43 4.77 -0.08 -4.87 117.00 123.51 1rxc n LEU 44 Ca 0.02 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 1rxc n LEU 44 Cb 0.44 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1rxc n LEU 44 CO 0.56 0.67 0.79 0.00 -1.33 0.00 0.00 177.39 178.07 1rxc s ALA 45 N -2.21 -1.87 -0.28 -1.18 0.00 -1.13 -5.00 121.76 110.09 1rxc s ALA 45 Ca -0.14 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1rxc s ALA 45 Cb 0.04 0.37 0.15 0.00 0.00 0.00 0.00 23.12 23.68 1rxc s ALA 45 CO 0.24 -0.79 0.39 0.45 0.00 0.00 0.00 175.76 176.05 1rxc s SER 46 N -2.59 0.50 -0.05 0.00 0.15 -1.26 -0.79 113.70 109.67 1rxc s SER 46 Ca 0.08 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.45 1rxc s SER 46 Cb -0.01 1.04 0.01 0.00 -1.71 0.00 0.00 66.02 65.35 1rxc s SER 46 CO -0.05 -0.35 -0.12 -1.00 1.20 0.00 0.00 173.24 172.92 1rxc s HIS 47 N 2.52 1.32 0.00 3.44 3.76 -0.59 -4.99 115.29 120.75 1rxc s HIS 47 Ca 0.10 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1rxc s HIS 47 Cb -0.13 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.61 1rxc s HIS 47 CO -0.28 -0.21 0.00 0.54 -0.85 0.00 0.00 174.74 173.94 1rxc n ARG 48 N 3.59 0.00 -0.05 1.40 1.74 -1.26 -0.68 116.66 121.40 1rxc n ARG 48 Ca -0.21 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 56.99 1rxc n ARG 48 Cb 0.52 0.00 0.38 0.00 -1.02 0.00 0.00 32.46 32.35 1rxc n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxc n GLU 49 N 14.00 1.87 -3.17 5.56 0.00 -1.26 -4.78 120.64 132.86 1rxc n GLU 49 Ca 0.00 -1.29 -0.45 0.00 0.00 0.00 0.00 57.16 55.42 1rxc n GLU 49 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 31.44 29.94 1rxc n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxc s PHE 50 N -1.88 3.08 -0.22 -1.84 0.08 0.14 -4.06 117.98 113.28 1rxc s PHE 50 Ca 0.35 -1.07 -0.05 0.00 0.12 0.00 0.00 56.93 56.27 1rxc s PHE 50 Cb 0.20 -3.95 -0.02 0.00 -0.57 0.00 0.00 43.02 38.68 1rxc s PHE 50 CO 0.30 -1.21 0.01 0.99 -0.10 0.00 0.00 175.22 175.21 1rxc s THR 51 N 2.34 3.89 -0.11 0.64 2.01 -1.26 -1.54 115.64 121.61 1rxc s THR 51 Ca 0.09 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 1rxc s THR 51 Cb -0.26 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 1rxc s THR 51 CO 0.05 0.40 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.39 1rxc s THR 52 N 1.33 3.37 -0.03 -0.82 2.01 0.03 -2.09 115.64 119.43 1rxc s THR 52 Ca 0.04 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.52 1rxc s THR 52 Cb -0.15 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 1rxc s THR 52 CO 0.01 0.55 -0.17 0.26 -0.69 0.00 0.00 174.62 174.57 1rxc s TRP 53 N -0.09 1.68 0.21 4.92 0.52 0.22 -0.90 118.94 125.50 1rxc s TRP 53 Ca -0.01 -0.43 -0.09 0.00 0.02 0.00 0.00 56.10 55.59 1rxc s TRP 53 Cb -0.14 -1.12 -0.07 0.00 -1.15 0.00 0.00 33.47 31.00 1rxc s TRP 53 CO 0.03 -0.12 0.51 0.50 0.02 0.00 0.00 176.95 177.89 1rxc s ARG 54 N -0.10 3.77 0.00 4.98 3.52 0.08 -0.58 118.95 130.63 1rxc s ARG 54 Ca -0.01 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1rxc s ARG 54 Cb -0.10 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 1rxc s ARG 54 CO 0.01 0.35 0.00 0.00 -0.81 0.00 0.00 175.30 174.86 1rxc n ALA 55 N -0.04 0.00 -3.77 6.12 0.00 -0.14 -0.79 120.51 121.89 1rxc n ALA 55 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1rxc n ALA 55 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1rxc n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rxc s GLU 56 N -1.34 -0.04 -0.18 0.00 2.12 0.43 -1.66 118.70 118.04 1rxc s GLU 56 Ca 0.00 0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.53 1rxc s GLU 56 Cb 0.00 -0.25 0.04 0.00 0.26 0.00 0.00 34.13 34.18 1rxc s GLU 56 CO 0.00 -0.17 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.32 1rxc s LEU 57 N 1.11 1.75 -1.48 2.70 2.96 -0.04 -1.24 118.68 124.44 1rxc s LEU 57 Ca -0.09 -0.74 -0.12 0.00 -0.22 0.00 0.00 54.13 52.96 1rxc s LEU 57 Cb -0.13 -0.96 0.09 0.00 0.50 0.00 0.00 46.19 45.69 1rxc s LEU 57 CO -0.03 -0.19 0.77 0.47 -1.32 0.00 0.00 176.35 176.05 1rxc n ASP 58 N 4.84 -4.39 0.00 3.68 8.00 -1.26 -2.12 116.55 125.31 1rxc n ASP 58 Ca -0.12 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1rxc n ASP 58 Cb 0.47 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.02 1rxc n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxc n GLY 59 N -1.47 0.65 3.43 0.44 0.00 -1.26 -5.06 105.19 101.93 1rxc n GLY 59 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1rxc n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxc s LYS 60 N -0.18 2.65 0.37 1.61 -0.14 -0.90 -5.10 119.74 118.05 1rxc s LYS 60 Ca 0.00 -0.73 -0.27 0.00 -1.36 0.00 0.00 55.97 53.61 1rxc s LYS 60 Cb 0.00 -2.38 -0.09 0.00 -1.68 0.00 0.00 37.83 33.68 1rxc s LYS 60 CO 0.00 0.52 1.24 -1.25 -0.76 0.00 0.00 175.35 175.10 1rxc s PRO 61 N -0.46 4.16 0.02 -1.68 0.04 -1.26 -0.86 135.00 134.95 1rxc s PRO 61 Ca 0.06 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1rxc s PRO 61 Cb -0.12 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 1rxc s PRO 61 CO 0.02 -0.29 -0.04 0.08 0.04 0.00 0.00 177.00 176.81 1rxc s VAL 62 N -1.27 0.20 -0.06 -0.36 1.01 -0.67 -4.45 120.40 114.80 1rxc s VAL 62 Ca 0.54 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1rxc s VAL 62 Cb -0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1rxc s VAL 62 CO 0.46 -0.43 -0.10 -0.63 0.00 0.00 0.00 175.10 174.40 1rxc s ILE 63 N -1.31 3.44 -0.15 2.22 -1.09 -0.79 -0.97 121.20 122.55 1rxc s ILE 63 Ca -0.13 -0.58 0.02 0.00 -2.23 0.00 0.00 60.65 57.73 1rxc s ILE 63 Cb -0.09 -2.39 0.01 0.00 -1.58 0.00 0.00 42.46 38.41 1rxc s ILE 63 CO -0.01 0.59 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.40 1rxc s VAL 64 N -0.73 2.13 -0.10 2.92 1.01 0.25 -0.33 120.40 125.56 1rxc s VAL 64 Ca 0.11 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1rxc s VAL 64 Cb -0.11 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.46 1rxc s VAL 64 CO 0.01 0.54 0.22 0.00 0.00 0.00 0.00 175.10 175.87 1rxc s SER 66 N 1.75 7.36 0.04 0.00 1.04 -0.89 -3.54 113.70 119.46 1rxc s SER 66 Ca -0.04 2.03 0.22 0.00 0.48 0.00 0.00 55.95 58.64 1rxc s SER 66 Cb -0.11 -2.60 -0.15 0.00 0.10 0.00 0.00 66.02 63.25 1rxc s SER 66 CO -0.08 -0.06 0.79 0.35 0.98 0.00 0.00 173.24 175.23 1rxc n THR 67 N 0.99 0.16 -0.58 2.02 -2.24 -0.19 -4.24 114.28 110.21 1rxc n THR 67 Ca 0.00 -0.38 0.08 0.00 -2.27 0.00 0.00 64.05 61.48 1rxc n THR 67 Cb 0.47 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1rxc n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxc n GLY 68 N 1.30 -1.72 3.72 3.38 0.00 -0.36 -3.44 105.19 108.07 1rxc n GLY 68 Ca -0.01 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1rxc n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxc s ILE 69 N -1.78 4.09 0.00 -0.61 1.01 -1.26 -4.68 121.20 117.97 1rxc s ILE 69 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.22 1rxc s ILE 69 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1rxc s ILE 69 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1rxc n GLY 70 N 2.86 2.56 0.29 6.18 0.00 -1.26 -4.65 105.19 111.17 1rxc n GLY 70 Ca 0.07 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.30 1rxc n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxc h GLY 71 N 0.00 1.16 0.68 -0.02 0.00 -1.88 -2.60 103.07 100.41 1rxc h GLY 71 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1rxc h GLY 71 CO 0.00 0.13 -0.34 -2.55 0.00 0.00 0.00 176.54 173.78 1rxc h PRO 72 N 0.74 -0.70 0.00 4.80 0.11 -1.94 0.14 132.00 135.13 1rxc h PRO 72 Ca 0.36 0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.42 1rxc h PRO 72 Cb 0.31 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1rxc h PRO 72 CO -0.23 -0.47 -0.45 0.66 -0.21 0.00 0.00 178.00 177.30 1rxc h SER 73 N -0.73 0.00 -0.88 -2.05 4.64 -1.80 -2.22 113.55 110.52 1rxc h SER 73 Ca -0.03 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1rxc h SER 73 Cb 0.65 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.69 1rxc h SER 73 CO -0.04 0.45 0.57 0.74 -0.87 0.00 0.00 176.83 177.69 1rxc h THR 74 N 0.00 1.23 0.00 2.95 2.02 -1.20 -2.46 112.91 115.44 1rxc h THR 74 Ca -0.00 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 1rxc h THR 74 Cb 0.84 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1rxc h THR 74 CO 0.06 0.22 -0.41 0.77 0.37 0.00 0.00 175.52 176.53 1rxc h SER 75 N 1.19 0.00 -0.16 4.18 4.64 -0.11 -1.51 113.55 121.78 1rxc h SER 75 Ca 0.32 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.55 1rxc h SER 75 Cb -0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1rxc h SER 75 CO -0.07 0.41 -0.24 0.40 -0.87 0.00 0.00 176.83 176.46 1rxc h ILE 76 N 0.00 1.35 -0.37 0.95 2.04 -1.30 -2.63 117.51 117.55 1rxc h ILE 76 Ca -0.00 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.32 1rxc h ILE 76 Cb 0.79 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1rxc h ILE 76 CO 0.05 0.44 -0.08 0.00 0.00 0.00 0.00 178.15 178.56 1rxc h ALA 77 N 0.59 0.51 -0.29 1.87 0.00 -1.07 -1.59 119.26 119.29 1rxc h ALA 77 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1rxc h ALA 77 Cb 0.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rxc h ALA 77 CO 0.06 0.35 -0.03 0.28 0.00 0.00 0.00 179.25 179.90 1rxc h VAL 78 N 0.50 1.27 -0.13 0.00 2.07 -1.41 -1.05 116.25 117.50 1rxc h VAL 78 Ca 0.09 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1rxc h VAL 78 Cb 0.59 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1rxc h VAL 78 CO 0.03 0.32 0.06 -0.08 0.02 0.00 0.00 177.57 177.93 1rxc h GLU 79 N 0.30 0.13 0.00 1.57 4.57 -1.43 -0.60 114.58 119.13 1rxc h GLU 79 Ca 0.08 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 1rxc h GLU 79 Cb 0.49 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1rxc h GLU 79 CO 0.02 0.09 -0.61 0.93 -1.18 0.00 0.00 179.01 178.26 1rxc h GLU 80 N 0.14 0.00 -0.15 1.92 5.08 -1.29 -1.61 114.58 118.67 1rxc h GLU 80 Ca 0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1rxc h GLU 80 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1rxc h GLU 80 CO -0.04 0.61 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.96 1rxc h LEU 81 N 0.00 0.49 -0.76 1.33 3.38 -1.07 -2.88 115.31 115.81 1rxc h LEU 81 Ca -0.01 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1rxc h LEU 81 Cb 1.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1rxc h LEU 81 CO 0.08 0.94 -0.18 0.00 0.09 0.00 0.00 178.44 179.38 1rxc h ALA 82 N 1.07 0.94 -0.24 1.53 0.00 -0.84 -0.55 119.26 121.16 1rxc h ALA 82 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1rxc h ALA 82 Cb 1.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1rxc h ALA 82 CO 0.10 0.61 0.13 1.96 0.00 0.00 0.00 179.25 182.05 1rxc h GLN 83 N 0.67 0.32 -0.01 0.00 4.20 -1.17 -2.29 115.11 116.84 1rxc h GLN 83 Ca 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1rxc h GLN 83 Cb 0.67 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1rxc h GLN 83 CO 0.05 0.24 -0.20 1.28 -0.67 0.00 0.00 178.83 179.53 1rxc n LEU 84 N -4.47 0.79 0.00 1.46 4.32 -0.93 -4.93 117.00 113.24 1rxc n LEU 84 Ca 0.01 -0.14 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1rxc n LEU 84 Cb 0.10 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1rxc n LEU 84 CO 0.35 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.28 1rxc n GLY 85 N 1.32 1.39 3.68 -0.72 0.00 -0.86 -4.80 105.19 105.20 1rxc n GLY 85 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1rxc n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxc s ILE 86 N -2.00 4.85 -0.25 -0.61 -1.09 -0.26 -4.31 121.20 117.52 1rxc s ILE 86 Ca 0.00 1.78 0.08 0.00 -2.23 0.00 0.00 60.65 60.28 1rxc s ILE 86 Cb 0.00 -4.20 -0.09 0.00 -1.58 0.00 0.00 42.46 36.59 1rxc s ILE 86 CO 0.00 0.02 0.27 0.54 -1.23 0.00 0.00 174.94 174.55 1rxc n ARG 87 N 5.12 3.26 -4.69 2.79 5.12 0.25 -4.14 116.66 124.37 1rxc n ARG 87 Ca 0.06 -0.02 -0.24 0.00 -1.93 0.00 0.00 57.85 55.72 1rxc n ARG 87 Cb 0.49 -0.95 -0.16 0.00 -1.16 0.00 0.00 32.46 30.68 1rxc n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxc s THR 88 N -1.95 1.20 -0.09 0.55 2.01 -0.41 -1.97 115.64 114.98 1rxc s THR 88 Ca 0.01 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1rxc s THR 88 Cb 0.05 -1.02 0.03 0.00 0.01 0.00 0.00 72.50 71.57 1rxc s THR 88 CO 0.31 0.35 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.20 1rxc s PHE 89 N -0.06 0.99 -0.30 4.92 0.08 -0.32 -0.82 117.98 122.47 1rxc s PHE 89 Ca -0.00 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 1rxc s PHE 89 Cb -0.09 -0.96 0.06 0.00 -0.57 0.00 0.00 43.02 41.45 1rxc s PHE 89 CO 0.01 -0.39 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.22 1rxc s LEU 90 N 1.81 3.90 0.03 -0.37 1.43 -0.45 -1.71 118.68 123.32 1rxc s LEU 90 Ca 0.04 -1.35 -0.28 0.00 -1.03 0.00 0.00 54.13 51.51 1rxc s LEU 90 Cb -0.12 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1rxc s LEU 90 CO -0.06 -0.26 0.90 -0.60 0.23 0.00 0.00 176.35 176.56 1rxc s ARG 91 N 1.21 4.58 -0.14 1.70 3.52 -0.53 -0.69 118.95 128.60 1rxc s ARG 91 Ca -0.05 1.30 0.02 0.00 -0.13 0.00 0.00 55.73 56.86 1rxc s ARG 91 Cb -0.20 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1rxc s ARG 91 CO -0.02 0.11 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.89 1rxc s ILE 92 N 0.47 2.32 0.32 4.11 -1.16 -1.23 -0.98 121.20 125.04 1rxc s ILE 92 Ca 0.46 -0.89 0.06 0.00 -0.51 0.00 0.00 60.65 59.77 1rxc s ILE 92 Cb -0.21 -1.95 -0.03 0.00 0.61 0.00 0.00 42.46 40.88 1rxc s ILE 92 CO 0.26 0.54 0.25 -0.83 -2.81 0.00 0.00 174.94 172.35 1rxc s GLY 93 N 0.78 2.25 0.27 1.50 0.00 -0.29 -3.97 107.32 107.86 1rxc s GLY 93 Ca -0.07 -1.96 0.08 0.00 0.00 0.00 0.00 44.72 42.76 1rxc s GLY 93 CO -0.00 -1.49 0.17 -0.51 0.00 0.00 0.00 173.10 171.26 1rxc s THR 94 N -3.52 4.01 -0.06 0.90 -4.23 -1.26 -1.63 115.64 109.84 1rxc s THR 94 Ca 0.39 -1.52 -0.30 0.00 -1.18 0.00 0.00 61.69 59.09 1rxc s THR 94 Cb 0.03 -3.23 0.09 0.00 1.34 0.00 0.00 72.50 70.73 1rxc s THR 94 CO 0.25 -0.31 0.80 0.28 -0.54 0.00 0.00 174.62 175.09 1rxc s THR 95 N -2.22 0.00 -0.37 3.99 -1.32 -0.92 -4.84 115.64 109.96 1rxc s THR 95 Ca 0.34 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.69 1rxc s THR 95 Cb -0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1rxc s THR 95 CO 0.24 0.00 0.26 -0.83 -2.21 0.00 0.00 174.62 172.08 1rxc s GLY 96 N -1.41 1.98 0.33 6.08 0.00 -1.01 -2.09 107.32 111.20 1rxc s GLY 96 Ca -0.05 -1.54 -0.27 0.00 0.00 0.00 0.00 44.72 42.85 1rxc s GLY 96 CO 0.04 0.84 1.10 0.00 0.00 0.00 0.00 173.10 175.07 1rxc s ALA 97 N 1.70 3.28 -0.84 3.20 0.00 -0.58 -0.96 121.76 127.56 1rxc s ALA 97 Ca 0.05 0.86 0.08 0.00 0.00 0.00 0.00 51.96 52.96 1rxc s ALA 97 Cb -0.18 -3.32 0.19 0.00 0.00 0.00 0.00 23.12 19.80 1rxc s ALA 97 CO 0.10 -0.24 1.07 0.44 0.00 0.00 0.00 175.76 177.13 1rxc n ILE 98 N 0.66 0.68 -4.37 0.00 -5.35 0.34 -0.83 119.36 110.48 1rxc n ILE 98 Ca 0.01 -0.84 -0.34 0.00 -0.27 0.00 0.00 62.75 61.31 1rxc n ILE 98 Cb 0.46 0.71 -0.10 0.00 -1.74 0.00 0.00 39.64 38.97 1rxc n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxc s GLN 99 N -0.91 3.24 0.44 6.28 -1.52 -1.23 -4.74 119.66 121.21 1rxc s GLN 99 Ca 0.16 -0.45 0.13 0.00 -1.95 0.00 0.00 55.36 53.25 1rxc s GLN 99 Cb 0.09 -2.84 0.99 0.00 -0.22 0.00 0.00 33.01 31.02 1rxc s GLN 99 CO 0.12 0.54 2.01 -1.00 -0.25 0.00 0.00 175.29 176.70 1rxc h PRO 100 N 5.72 0.09 0.00 2.91 0.13 -1.96 -2.78 132.00 136.12 1rxc h PRO 100 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1rxc h PRO 100 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rxc h PRO 100 CO 0.58 0.21 0.00 -2.39 -0.23 0.00 0.00 178.00 176.17 1rxc n HIS 101 N -4.36 0.00 -3.40 1.56 1.44 -1.26 -4.70 115.22 104.51 1rxc n HIS 101 Ca -0.02 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.31 1rxc n HIS 101 Cb 0.21 -0.42 -0.08 0.00 0.12 0.00 0.00 29.99 29.82 1rxc n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rxc s ILE 102 N -2.84 5.19 0.18 0.61 1.01 -1.05 -5.08 121.20 119.22 1rxc s ILE 102 Ca 0.20 0.62 0.04 0.00 0.00 0.00 0.00 60.65 61.50 1rxc s ILE 102 Cb 0.19 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1rxc s ILE 102 CO 0.50 0.20 0.28 0.20 0.00 0.00 0.00 174.94 176.12 1rxc s ASN 103 N 1.36 6.17 0.08 3.58 0.01 -1.26 -4.87 114.94 120.01 1rxc s ASN 103 Ca 0.16 0.08 -0.32 0.00 -0.71 0.00 0.00 52.86 52.07 1rxc s ASN 103 Cb -0.15 -1.80 -0.11 0.00 0.41 0.00 0.00 41.25 39.59 1rxc s ASN 103 CO 0.09 0.02 1.81 0.52 -1.51 0.00 0.00 177.10 178.02 1rxc n VAL 104 N -0.79 0.37 0.00 1.60 0.31 -1.26 -1.48 118.33 117.08 1rxc n VAL 104 Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1rxc n VAL 104 Cb 0.55 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1rxc n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxc n GLY 105 N 4.13 2.04 3.73 2.92 0.00 0.27 -5.01 105.19 113.26 1rxc n GLY 105 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1rxc n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxc s ASP 106 N -0.65 4.04 -0.10 1.61 1.11 -0.55 -4.69 116.67 117.44 1rxc s ASP 106 Ca 0.00 2.09 -0.01 0.00 0.18 0.00 0.00 52.55 54.81 1rxc s ASP 106 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 1rxc s ASP 106 CO 0.00 -2.36 -0.06 -0.69 1.18 0.00 0.00 175.17 173.25 1rxc s VAL 107 N -2.52 3.77 -0.15 -1.27 1.01 -0.99 -1.31 120.40 118.93 1rxc s VAL 107 Ca 0.67 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1rxc s VAL 107 Cb -0.22 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1rxc s VAL 107 CO 0.52 0.56 -0.19 -0.76 0.00 0.00 0.00 175.10 175.24 1rxc s LEU 108 N -0.40 1.96 -0.22 3.92 1.43 0.20 -1.33 118.68 124.24 1rxc s LEU 108 Ca 0.06 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1rxc s LEU 108 Cb -0.12 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1rxc s LEU 108 CO 0.02 0.02 0.10 -0.69 0.23 0.00 0.00 176.35 176.03 1rxc s VAL 109 N 1.13 4.83 -0.20 -1.59 1.01 -0.44 -1.43 120.40 123.71 1rxc s VAL 109 Ca -0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1rxc s VAL 109 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1rxc s VAL 109 CO -0.07 0.38 0.44 -0.89 0.00 0.00 0.00 175.10 174.96 1rxc s THR 110 N 1.00 5.17 -0.03 3.92 2.01 -0.87 -2.26 115.64 124.58 1rxc s THR 110 Ca 0.05 0.79 0.12 0.00 0.31 0.00 0.00 61.69 62.96 1rxc s THR 110 Cb -0.14 -3.77 -0.20 0.00 0.01 0.00 0.00 72.50 68.40 1rxc s THR 110 CO 0.03 0.23 0.83 0.71 -0.69 0.00 0.00 174.62 175.73 1rxc h THR 111 N 5.07 0.97 -2.18 -0.82 1.35 -1.69 -3.41 112.91 112.20 1rxc h THR 111 Ca -0.35 -2.73 0.19 0.00 -0.55 0.00 0.00 66.41 62.96 1rxc h THR 111 Cb 1.16 2.45 -0.10 0.00 -1.73 0.00 0.00 68.15 69.93 1rxc h THR 111 CO 0.72 0.55 0.54 0.00 -0.25 0.00 0.00 175.52 177.09 1rxc s ALA 112 N -2.68 -1.78 -0.03 6.62 0.00 -1.26 -1.71 121.76 120.92 1rxc s ALA 112 Ca -0.03 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.39 1rxc s ALA 112 Cb 0.08 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 1rxc s ALA 112 CO 0.82 -0.96 -0.14 -1.12 0.00 0.00 0.00 175.76 174.36 1rxc s SER 113 N -2.83 1.72 -0.03 0.00 0.01 -0.49 -1.87 113.70 110.20 1rxc s SER 113 Ca 0.11 -0.27 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 1rxc s SER 113 Cb -0.00 -0.43 -0.06 0.00 0.21 0.00 0.00 66.02 65.73 1rxc s SER 113 CO -0.01 0.12 1.67 -0.69 0.41 0.00 0.00 173.24 174.74 1rxc s VAL 114 N 0.05 3.47 -1.20 3.43 1.01 0.85 -4.38 120.40 123.63 1rxc s VAL 114 Ca -0.02 0.63 -0.17 0.00 0.00 0.00 0.00 61.98 62.42 1rxc s VAL 114 Cb -0.10 -3.41 0.11 0.00 0.00 0.00 0.00 36.38 32.98 1rxc s VAL 114 CO 0.01 -0.05 1.55 -0.13 0.00 0.00 0.00 175.10 176.48 1rxc s ARG 115 N 3.84 3.94 -0.41 2.72 0.52 -1.26 -1.60 118.95 126.69 1rxc s ARG 115 Ca 0.74 -2.05 0.02 0.00 -0.52 0.00 0.00 55.73 53.92 1rxc s ARG 115 Cb -0.35 -5.31 0.48 0.00 0.52 0.00 0.00 34.95 30.29 1rxc s ARG 115 CO 0.31 -2.05 1.83 1.28 0.02 0.00 0.00 175.30 176.68 1rxc n LEU 116 N 7.42 6.37 -4.60 2.53 4.77 -0.38 -4.93 117.00 128.17 1rxc n LEU 116 Ca 0.41 -3.41 -0.27 0.00 -0.03 0.00 0.00 56.01 52.71 1rxc n LEU 116 Cb 0.46 -0.84 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 1rxc n LEU 116 CO 0.68 1.07 -0.29 1.51 -1.33 0.00 0.00 177.39 179.04 1rxc s ASP 117 N -0.90 3.70 -0.23 -1.43 3.84 -1.21 -1.81 116.67 118.62 1rxc s ASP 117 Ca 0.47 -1.38 0.07 0.00 -0.00 0.00 0.00 52.55 51.72 1rxc s ASP 117 Cb 0.39 -0.33 -0.19 0.00 -1.38 0.00 0.00 42.92 41.41 1rxc s ASP 117 CO 0.06 -0.48 -0.12 0.61 -0.00 0.00 0.00 175.17 175.23 1rxc n GLY 118 N -0.94 -0.57 0.17 2.12 0.00 -1.26 -4.67 105.19 100.04 1rxc n GLY 118 Ca -0.05 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.77 1rxc n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc h ALA 119 N 0.34 1.10 -0.04 4.61 0.00 -1.98 -2.60 119.26 120.69 1rxc h ALA 119 Ca -0.56 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 1rxc h ALA 119 Cb 2.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1rxc h ALA 119 CO -0.05 0.57 -0.07 0.66 0.00 0.00 0.00 179.25 180.37 1rxc h SER 120 N 0.00 0.05 0.76 0.00 4.64 -1.85 -0.76 113.55 116.39 1rxc h SER 120 Ca -0.00 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1rxc h SER 120 Cb 0.89 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1rxc h SER 120 CO 0.06 0.13 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.98 1rxc h LEU 121 N 0.05 0.00 0.00 5.97 3.38 -1.58 -1.60 115.31 121.54 1rxc h LEU 121 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rxc h LEU 121 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1rxc h LEU 121 CO 0.01 0.10 0.00 1.41 0.09 0.00 0.00 178.44 180.05 1rxc n HIS 122 N -3.30 0.00 -0.03 1.13 8.25 -0.29 -3.80 115.22 117.18 1rxc n HIS 122 Ca -0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1rxc n HIS 122 Cb 0.31 -0.41 -0.04 0.00 1.12 0.00 0.00 29.99 30.97 1rxc n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxc n PHE 123 N -1.41 0.00 -3.57 4.41 3.72 -0.78 -5.08 117.46 114.75 1rxc n PHE 123 Ca 0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.33 1rxc n PHE 123 Cb 0.25 -0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 38.46 1rxc n PHE 123 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rxc s ALA 124 N -2.13 -1.78 0.90 4.37 0.00 -0.67 -4.99 121.76 117.46 1rxc s ALA 124 Ca -0.03 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.46 1rxc s ALA 124 Cb 0.02 -0.54 0.13 0.00 0.00 0.00 0.00 23.12 22.73 1rxc s ALA 124 CO 0.22 -0.35 1.09 -1.25 0.00 0.00 0.00 175.76 175.47 1rxc s PRO 125 N -0.49 1.17 0.40 0.00 0.04 -1.26 -3.92 135.00 130.94 1rxc s PRO 125 Ca -0.06 1.04 0.13 0.00 0.04 0.00 0.00 61.00 62.16 1rxc s PRO 125 Cb -0.02 -1.78 0.96 0.00 0.04 0.00 0.00 34.50 33.69 1rxc s PRO 125 CO 0.06 -2.36 1.90 1.25 0.04 0.00 0.00 177.00 177.88 1rxc h LEU 126 N -1.65 0.50 -2.36 -3.56 5.85 -1.93 -1.86 115.31 110.30 1rxc h LEU 126 Ca -0.48 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1rxc h LEU 126 Cb 1.27 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1rxc h LEU 126 CO 0.51 0.25 -0.04 1.05 -0.34 0.00 0.00 178.44 179.87 1rxc h GLU 127 N 0.53 0.00 -6.58 1.25 9.09 -2.03 -3.43 114.58 113.41 1rxc h GLU 127 Ca 0.41 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.29 1rxc h GLU 127 Cb 0.81 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.94 1rxc h GLU 127 CO -0.16 0.04 0.70 0.12 0.05 0.00 0.00 179.01 179.76 1rxc s PHE 128 N -4.40 3.25 0.10 2.06 5.36 -0.70 -4.98 117.98 118.67 1rxc s PHE 128 Ca -0.04 1.04 -0.31 0.00 -0.96 0.00 0.00 56.93 56.66 1rxc s PHE 128 Cb 0.14 -3.66 -0.07 0.00 -0.34 0.00 0.00 43.02 39.10 1rxc s PHE 128 CO 0.54 -2.22 1.25 -1.25 -1.46 0.00 0.00 175.22 172.07 1rxc s PRO 129 N 0.74 4.41 -1.47 10.12 0.04 -1.26 -4.92 135.00 142.67 1rxc s PRO 129 Ca 0.62 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 1rxc s PRO 129 Cb -0.37 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 30.91 1rxc s PRO 129 CO 0.33 -0.27 2.30 0.00 0.04 0.00 0.00 177.00 179.40 1rxc n ALA 130 N 3.60 5.84 -2.76 8.56 0.00 -1.26 -4.76 120.51 129.73 1rxc n ALA 130 Ca 0.09 -3.87 -0.35 0.00 0.00 0.00 0.00 53.44 49.30 1rxc n ALA 130 Cb 0.45 -3.46 -0.09 0.00 0.00 0.00 0.00 19.45 16.36 1rxc n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxc s VAL 131 N 2.74 4.69 0.61 0.00 0.11 -1.26 -1.40 120.40 125.89 1rxc s VAL 131 Ca 0.50 -0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 59.31 1rxc s VAL 131 Cb 0.14 -3.02 -0.03 0.00 -1.53 0.00 0.00 36.38 31.94 1rxc s VAL 131 CO -0.08 0.59 1.04 0.00 -3.33 0.00 0.00 175.10 173.32 1rxc s ALA 132 N -0.71 2.86 0.34 1.54 0.00 -0.69 -4.70 121.76 120.40 1rxc s ALA 132 Ca 0.12 0.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 1rxc s ALA 132 Cb -0.12 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 1rxc s ALA 132 CO 0.02 -0.77 1.21 0.34 0.00 0.00 0.00 175.76 176.56 1rxc s ASP 133 N -3.38 6.83 0.14 0.00 -1.08 0.39 -4.93 116.67 114.64 1rxc s ASP 133 Ca 0.59 2.48 -0.12 0.00 -0.52 0.00 0.00 52.55 54.99 1rxc s ASP 133 Cb -0.13 -2.63 -0.01 0.00 -1.46 0.00 0.00 42.92 38.69 1rxc s ASP 133 CO 0.44 -0.47 1.54 0.15 0.52 0.00 0.00 175.17 177.35 1rxc h PHE 134 N 3.29 1.04 -0.29 -5.34 3.04 -1.96 -0.99 116.94 115.73 1rxc h PHE 134 Ca -0.48 -0.24 -0.08 0.00 3.98 0.00 0.00 57.97 61.15 1rxc h PHE 134 Cb 1.22 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1rxc h PHE 134 CO 0.56 1.03 -0.16 0.93 -2.02 0.00 0.00 178.31 178.65 1rxc h GLU 135 N 0.75 0.52 0.11 1.11 5.08 -1.96 -1.56 114.58 118.61 1rxc h GLU 135 Ca 0.11 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1rxc h GLU 135 Cb 0.73 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1rxc h GLU 135 CO 0.06 0.66 -0.05 0.00 -1.00 0.00 0.00 179.01 178.68 1rxc h THR 137 N -0.71 0.89 -0.29 0.00 2.02 -1.20 -1.01 112.91 112.59 1rxc h THR 137 Ca -0.01 -0.24 -0.17 0.00 0.77 0.00 0.00 66.41 66.76 1rxc h THR 137 Cb 0.54 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1rxc h THR 137 CO 0.02 0.13 -0.47 0.74 0.37 0.00 0.00 175.52 176.31 1rxc h THR 138 N 0.69 1.28 -0.04 3.16 2.02 -1.25 -2.04 112.91 116.73 1rxc h THR 138 Ca 0.40 -1.66 -0.10 0.00 0.77 0.00 0.00 66.41 65.82 1rxc h THR 138 Cb 0.59 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1rxc h THR 138 CO -0.16 0.54 -0.46 0.00 0.37 0.00 0.00 175.52 175.81 1rxc h ALA 139 N 0.69 1.17 -0.10 6.16 0.00 -0.65 -1.64 119.26 124.89 1rxc h ALA 139 Ca 0.02 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 1rxc h ALA 139 Cb 1.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rxc h ALA 139 CO 0.11 0.59 -0.72 -0.07 0.00 0.00 0.00 179.25 179.16 1rxc h LEU 140 N 0.08 0.57 -0.15 0.00 3.38 -1.13 -1.92 115.31 116.13 1rxc h LEU 140 Ca 0.00 -0.37 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 1rxc h LEU 140 Cb 0.84 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1rxc h LEU 140 CO 0.06 1.11 -0.49 0.58 0.09 0.00 0.00 178.44 179.79 1rxc h VAL 141 N 0.33 1.34 -0.01 1.22 2.07 -1.10 -2.38 116.25 117.72 1rxc h VAL 141 Ca -0.03 -1.76 -0.14 0.00 0.82 0.00 0.00 66.70 65.58 1rxc h VAL 141 Cb 1.30 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1rxc h VAL 141 CO 0.13 0.54 -0.67 -0.33 0.02 0.00 0.00 177.57 177.26 1rxc h GLU 142 N 0.24 0.07 -0.44 1.57 5.08 -1.36 -1.60 114.58 118.14 1rxc h GLU 142 Ca -0.02 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1rxc h GLU 142 Cb 1.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1rxc h GLU 142 CO 0.10 0.71 -0.04 0.00 -1.00 0.00 0.00 179.01 178.78 1rxc h ALA 143 N 1.28 0.59 -0.44 3.43 0.00 -1.36 -1.53 119.26 121.22 1rxc h ALA 143 Ca -0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1rxc h ALA 143 Cb 1.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1rxc h ALA 143 CO 0.09 0.42 -0.01 0.00 0.00 0.00 0.00 179.25 179.76 1rxc h ALA 144 N 0.88 1.16 -0.18 0.00 0.00 -1.23 -3.00 119.26 116.89 1rxc h ALA 144 Ca 0.12 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 1rxc h ALA 144 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1rxc h ALA 144 CO 0.03 0.54 -0.54 -0.22 0.00 0.00 0.00 179.25 179.07 1rxc h LYS 145 N 0.68 0.53 0.00 0.00 1.63 -1.12 -2.32 116.57 115.97 1rxc h LYS 145 Ca 0.13 -0.33 -0.08 0.00 -0.85 0.00 0.00 60.65 59.52 1rxc h LYS 145 Cb 0.43 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1rxc h LYS 145 CO 0.02 0.93 -0.40 0.66 -3.45 0.00 0.00 179.45 177.20 1rxc h SER 146 N 0.41 0.00 -0.44 4.20 4.64 -1.15 -2.90 113.55 118.31 1rxc h SER 146 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1rxc h SER 146 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1rxc h SER 146 CO 0.10 0.40 0.00 2.30 -0.87 0.00 0.00 176.83 178.76 1rxc n ILE 147 N -3.57 1.18 -3.01 0.95 -6.64 -1.18 -5.01 119.36 102.09 1rxc n ILE 147 Ca -0.00 -1.09 -0.20 0.00 -1.77 0.00 0.00 62.75 59.69 1rxc n ILE 147 Cb 0.52 0.40 0.04 0.00 -1.44 0.00 0.00 39.64 39.17 1rxc n ILE 147 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rxc n GLY 148 N 0.71 -0.36 3.81 3.28 0.00 -0.90 -5.00 105.19 106.72 1rxc n GLY 148 Ca 0.16 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1rxc n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxc s ALA 149 N -3.13 3.34 -0.39 4.61 0.00 -1.03 -5.01 121.76 120.15 1rxc s ALA 149 Ca 0.31 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 1rxc s ALA 149 Cb -0.13 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.07 1rxc s ALA 149 CO 0.38 0.28 1.13 0.95 0.00 0.00 0.00 175.76 178.49 1rxc s THR 150 N -1.58 4.34 0.10 0.00 -4.23 -1.26 -4.75 115.64 108.25 1rxc s THR 150 Ca 0.46 1.47 0.08 0.00 -1.18 0.00 0.00 61.69 62.52 1rxc s THR 150 Cb -0.17 -4.47 -0.04 0.00 1.34 0.00 0.00 72.50 69.16 1rxc s THR 150 CO 0.21 -0.71 -0.13 -0.89 -0.54 0.00 0.00 174.62 172.56 1rxc s THR 151 N 4.09 3.14 -0.01 3.99 2.01 -1.26 -2.35 115.64 125.25 1rxc s THR 151 Ca 0.48 -1.35 0.03 0.00 0.31 0.00 0.00 61.69 61.16 1rxc s THR 151 Cb -0.10 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 1rxc s THR 151 CO 0.23 0.12 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.18 1rxc s HIS 152 N -1.17 0.98 -0.09 4.92 3.76 -0.45 -4.97 115.29 118.27 1rxc s HIS 152 Ca 0.20 -0.20 0.05 0.00 -0.15 0.00 0.00 55.06 54.95 1rxc s HIS 152 Cb -0.11 -0.64 -0.00 0.00 1.11 0.00 0.00 32.58 32.94 1rxc s HIS 152 CO 0.12 -0.04 -0.24 0.08 -0.85 0.00 0.00 174.74 173.81 1rxc s VAL 153 N -0.15 2.04 -3.31 -0.90 1.01 -1.26 -1.33 120.40 116.50 1rxc s VAL 153 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1rxc s VAL 153 Cb -0.05 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1rxc s VAL 153 CO -0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1rxc n GLY 154 N 3.36 -0.52 3.83 4.51 0.00 -0.96 -4.98 105.19 110.43 1rxc n GLY 154 Ca -0.19 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1rxc n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxc s VAL 155 N -3.09 4.61 -0.06 1.61 1.01 -1.26 -1.76 120.40 121.46 1rxc s VAL 155 Ca 0.00 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.16 1rxc s VAL 155 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1rxc s VAL 155 CO 0.00 0.05 -0.15 -0.89 0.00 0.00 0.00 175.10 174.10 1rxc s THR 156 N -1.71 1.32 -0.13 3.92 2.01 -0.78 -1.38 115.64 118.89 1rxc s THR 156 Ca 0.48 -0.62 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 1rxc s THR 156 Cb -0.14 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1rxc s THR 156 CO 0.19 0.39 0.85 0.00 -0.69 0.00 0.00 174.62 175.36 1rxc s ALA 157 N 0.35 3.45 -0.28 7.40 0.00 -0.19 -0.10 121.76 132.37 1rxc s ALA 157 Ca -0.10 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.03 1rxc s ALA 157 Cb -0.14 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.83 1rxc s ALA 157 CO 0.03 -0.53 -0.07 0.45 0.00 0.00 0.00 175.76 175.65 1rxc s SER 158 N 1.08 4.52 -0.01 0.00 0.15 -0.63 -1.71 113.70 117.10 1rxc s SER 158 Ca 0.41 -1.60 0.03 0.00 0.70 0.00 0.00 55.95 55.49 1rxc s SER 158 Cb -0.17 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 1rxc s SER 158 CO 0.15 -0.24 -0.08 -0.55 1.20 0.00 0.00 173.24 173.72 1rxc s SER 159 N 1.05 4.54 0.00 5.45 0.15 -0.16 -1.26 113.70 123.47 1rxc s SER 159 Ca -0.04 -0.14 0.18 0.00 0.70 0.00 0.00 55.95 56.65 1rxc s SER 159 Cb -0.20 -1.05 0.78 0.00 -1.71 0.00 0.00 66.02 63.85 1rxc s SER 159 CO -0.06 0.30 1.57 0.47 1.20 0.00 0.00 173.24 176.73 1rxc n ASP 160 N 1.75 0.00 -4.24 5.45 9.92 -0.75 -4.31 116.55 124.38 1rxc n ASP 160 Ca -0.16 0.44 -0.21 0.00 -0.53 0.00 0.00 54.79 54.32 1rxc n ASP 160 Cb 0.53 -0.47 -0.12 0.00 -0.64 0.00 0.00 41.12 40.41 1rxc n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1rxc s THR 161 N -2.95 1.45 0.09 -3.53 -4.23 -1.26 -5.01 115.64 100.20 1rxc s THR 161 Ca 0.10 -1.44 0.09 0.00 -1.18 0.00 0.00 61.69 59.26 1rxc s THR 161 Cb 0.12 -1.35 -0.15 0.00 1.34 0.00 0.00 72.50 72.46 1rxc s THR 161 CO 0.32 -0.13 1.34 0.15 -0.54 0.00 0.00 174.62 175.76 1rxc h PHE 162 N 4.17 0.00 0.00 3.99 3.57 -1.97 -3.37 116.94 123.33 1rxc h PHE 162 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1rxc h PHE 162 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1rxc h PHE 162 CO 0.62 0.89 0.00 0.66 -2.23 0.00 0.00 178.31 178.25 1rxc n TYR 163 N -3.37 0.00 -0.25 0.41 4.01 -1.26 -4.39 117.16 112.31 1rxc n TYR 163 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1rxc n TYR 163 Cb 0.88 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 40.07 1rxc n TYR 163 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1rxc h PRO 164 N 0.00 1.08 0.00 -0.72 0.13 -1.87 -1.17 132.00 129.46 1rxc h PRO 164 Ca 0.00 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1rxc h PRO 164 Cb 0.00 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 30.91 1rxc h PRO 164 CO 0.00 0.79 -0.03 0.78 -0.23 0.00 0.00 178.00 179.32 1rxc h GLY 165 N 1.12 0.00 -2.47 1.56 0.00 -1.87 0.32 103.07 101.73 1rxc h GLY 165 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1rxc h GLY 165 CO -0.04 0.00 0.01 -1.06 0.00 0.00 0.00 176.54 175.44 1rxc n GLN 166 N -3.14 3.75 -4.06 4.80 6.02 -1.00 -4.93 117.38 118.81 1rxc n GLN 166 Ca -0.00 -2.99 -0.28 0.00 -0.01 0.00 0.00 57.00 53.71 1rxc n GLN 166 Cb 0.28 -2.03 -0.04 0.00 1.02 0.00 0.00 30.24 29.47 1rxc n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rxc n GLU 167 N -0.05 -2.38 -3.03 -1.09 2.13 0.10 -4.93 120.64 111.39 1rxc n GLU 167 Ca 0.25 0.30 -0.39 0.00 0.66 0.00 0.00 57.16 57.97 1rxc n GLU 167 Cb 1.04 -4.15 -0.06 0.00 0.27 0.00 0.00 31.44 28.54 1rxc n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxc s ARG 168 N -6.82 4.49 -0.00 5.31 0.52 -0.48 -4.98 118.95 117.00 1rxc s ARG 168 Ca 0.04 1.05 0.08 0.00 -0.52 0.00 0.00 55.73 56.38 1rxc s ARG 168 Cb -0.02 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 1rxc s ARG 168 CO 0.92 0.45 0.31 0.66 0.02 0.00 0.00 175.30 177.66 1rxc n TYR 169 N 2.15 0.00 -2.48 -0.53 4.01 -1.26 -4.46 117.16 114.59 1rxc n TYR 169 Ca -0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 1rxc n TYR 169 Cb 0.50 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1rxc n TYR 169 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1rxc n ASP 170 N -1.31 5.08 -3.70 7.72 4.64 -1.26 -4.14 116.55 123.58 1rxc n ASP 170 Ca 0.01 -3.07 -0.23 0.00 -1.38 0.00 0.00 54.79 50.12 1rxc n ASP 170 Cb 0.14 -1.51 -0.08 0.00 -1.04 0.00 0.00 41.12 38.63 1rxc n ASP 170 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1rxc s THR 171 N 0.83 0.27 0.19 5.18 -4.23 -1.26 -5.01 115.64 111.61 1rxc s THR 171 Ca 0.41 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.80 1rxc s THR 171 Cb 0.07 -2.38 0.10 0.00 1.34 0.00 0.00 72.50 71.62 1rxc s THR 171 CO 0.00 0.00 1.80 0.22 -0.54 0.00 0.00 174.62 176.11 1rxc h TYR 172 N 1.91 0.59 0.00 3.99 3.20 -1.99 -3.11 116.97 121.56 1rxc h TYR 172 Ca -0.30 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.48 1rxc h TYR 172 Cb 1.26 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 1rxc h TYR 172 CO 1.72 0.30 -1.40 -1.13 -1.64 0.00 0.00 178.16 176.01 1rxc n SER 173 N -4.81 0.74 -0.93 -2.11 3.41 -1.26 -4.97 113.62 103.68 1rxc n SER 173 Ca 0.06 0.32 -0.12 0.00 -0.26 0.00 0.00 58.87 58.86 1rxc n SER 173 Cb 0.13 0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 1rxc n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rxc n GLY 174 N 1.34 1.19 3.37 5.00 0.00 -1.18 -4.99 105.19 109.93 1rxc n GLY 174 Ca -0.08 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1rxc n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxc s ARG 175 N -2.97 1.38 -0.07 1.61 1.70 -1.26 -4.91 118.95 114.42 1rxc s ARG 175 Ca 0.00 -1.45 0.04 0.00 -0.47 0.00 0.00 55.73 53.85 1rxc s ARG 175 Cb 0.00 -1.56 0.00 0.00 -0.57 0.00 0.00 34.95 32.82 1rxc s ARG 175 CO 0.00 0.33 -0.20 0.08 -1.08 0.00 0.00 175.30 174.43 1rxc s VAL 176 N -1.84 1.68 0.51 4.99 1.01 -1.26 -4.92 120.40 120.56 1rxc s VAL 176 Ca 0.17 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 1rxc s VAL 176 Cb -0.07 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.78 1rxc s VAL 176 CO 0.08 0.48 1.02 0.55 0.00 0.00 0.00 175.10 177.23 1rxc n VAL 177 N 3.38 3.01 -0.35 2.92 3.14 -1.26 -4.60 118.33 124.56 1rxc n VAL 177 Ca -0.19 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 60.77 1rxc n VAL 177 Cb 0.52 -1.22 0.19 0.00 -1.06 0.00 0.00 33.84 32.28 1rxc n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1rxc h ARG 178 N 1.14 0.00 -0.99 1.45 2.43 -2.00 -1.61 114.38 114.80 1rxc h ARG 178 Ca -0.47 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 58.87 1rxc h ARG 178 Cb 1.34 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.80 1rxc h ARG 178 CO 0.54 0.00 0.62 1.25 -1.51 0.00 0.00 179.97 180.87 1rxc h HIS 179 N 0.00 1.05 -0.02 2.20 2.76 -2.02 -2.36 115.15 116.75 1rxc h HIS 179 Ca 0.52 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1rxc h HIS 179 Cb 0.89 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.52 1rxc h HIS 179 CO -0.69 0.31 -0.24 1.19 -1.30 0.00 0.00 177.93 177.20 1rxc n PHE 180 N -4.69 0.00 -2.00 5.26 3.01 -0.66 -4.77 117.46 113.61 1rxc n PHE 180 Ca 0.21 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.25 1rxc n PHE 180 Cb 0.50 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.95 1rxc n PHE 180 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1rxc s LYS 181 N -2.10 4.09 -0.02 -1.08 2.20 -0.87 -2.05 119.74 119.91 1rxc s LYS 181 Ca 0.21 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1rxc s LYS 181 Cb 0.17 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 1rxc s LYS 181 CO 0.41 -0.96 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1rxc n GLY 182 N 4.28 0.46 0.15 5.54 0.00 -1.26 -4.95 105.19 109.40 1rxc n GLY 182 Ca 0.18 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 1rxc n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxc h SER 183 N 0.00 0.60 -0.55 1.61 4.64 -1.71 -2.98 113.55 115.16 1rxc h SER 183 Ca -0.00 -0.54 0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1rxc h SER 183 Cb 0.10 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1rxc h SER 183 CO 0.01 1.37 0.35 -0.03 -0.87 0.00 0.00 176.83 177.66 1rxc h MET 184 N 0.20 0.69 -0.82 4.77 -1.53 -1.92 -0.49 114.93 115.82 1rxc h MET 184 Ca -0.12 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.06 1rxc h MET 184 Cb 1.78 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 32.63 1rxc h MET 184 CO 0.20 0.46 0.38 1.49 0.14 0.00 0.00 176.91 179.57 1rxc h GLU 185 N 0.71 1.20 -0.01 0.39 4.81 -1.97 -0.59 114.58 119.13 1rxc h GLU 185 Ca 0.21 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rxc h GLU 185 Cb -0.05 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 1rxc h GLU 185 CO -0.06 0.93 0.01 0.93 -0.73 0.00 0.00 179.01 180.09 1rxc h GLU 186 N 1.18 0.02 -0.39 1.92 4.39 -1.27 -0.95 114.58 119.47 1rxc h GLU 186 Ca 0.28 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1rxc h GLU 186 Cb 0.14 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1rxc h GLU 186 CO -0.03 0.09 0.10 -1.49 -1.16 0.00 0.00 179.01 176.52 1rxc h TRP 187 N -0.06 0.57 0.00 4.33 -0.00 -0.91 -1.96 115.95 117.92 1rxc h TRP 187 Ca 0.00 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.89 58.69 1rxc h TRP 187 Cb 0.08 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.04 1rxc h TRP 187 CO -0.05 0.49 -0.82 -0.56 -0.00 0.00 0.00 178.44 177.50 1rxc h GLN 188 N 0.56 0.00 0.00 0.49 3.07 -0.88 -1.44 115.11 116.91 1rxc h GLN 188 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.83 1rxc h GLN 188 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 1rxc h GLN 188 CO -0.01 0.82 -0.20 0.00 0.09 0.00 0.00 178.83 179.53 1rxc h ALA 189 N 1.18 1.10 -0.15 0.06 0.00 -0.85 -2.88 119.26 117.71 1rxc h ALA 189 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rxc h ALA 189 Cb 1.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1rxc h ALA 189 CO 0.11 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 178.27 1rxc n MET 190 N -3.47 1.63 -0.96 0.00 2.81 -0.77 -4.92 117.12 111.44 1rxc n MET 190 Ca -0.01 -0.95 0.00 0.00 -1.81 0.00 0.00 57.70 54.94 1rxc n MET 190 Cb 0.37 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1rxc n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxc n GLY 191 N 1.07 0.48 3.74 3.03 0.00 -1.09 -5.03 105.19 107.39 1rxc n GLY 191 Ca 0.15 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1rxc n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxc s VAL 192 N -2.00 3.15 -0.04 1.61 1.01 -0.59 -4.58 120.40 118.95 1rxc s VAL 192 Ca 0.00 0.97 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 1rxc s VAL 192 Cb 0.00 -3.62 -0.31 0.00 0.00 0.00 0.00 36.38 32.45 1rxc s VAL 192 CO 0.00 0.16 0.70 0.24 0.00 0.00 0.00 175.10 176.20 1rxc h MET 193 N 5.05 0.40 -2.85 2.72 0.00 -1.55 -3.42 114.93 115.29 1rxc h MET 193 Ca -0.45 -0.69 0.04 0.00 0.00 0.00 0.00 59.70 58.60 1rxc h MET 193 Cb 1.22 0.26 -0.10 0.00 0.00 0.00 0.00 31.60 32.97 1rxc h MET 193 CO 0.75 1.33 0.28 0.54 0.00 0.00 0.00 176.91 179.81 1rxc s ASN 194 N -7.31 -0.42 -0.07 1.22 4.22 -1.26 -0.51 114.94 110.81 1rxc s ASN 194 Ca -0.16 -0.21 0.00 0.00 -2.14 0.00 0.00 52.86 50.36 1rxc s ASN 194 Cb 0.05 0.60 -0.03 0.00 1.28 0.00 0.00 41.25 43.15 1rxc s ASN 194 CO 0.86 -1.02 -0.06 -0.31 -2.04 0.00 0.00 177.10 174.53 1rxc s TYR 195 N -3.67 2.98 0.00 1.54 2.02 -0.13 -1.02 117.35 119.06 1rxc s TYR 195 Ca 0.05 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1rxc s TYR 195 Cb -0.02 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1rxc s TYR 195 CO -0.06 0.34 0.00 -0.85 -1.57 0.00 0.00 175.55 173.42 1rxc n GLU 196 N 2.26 0.00 0.00 -0.62 -0.00 -0.70 -2.41 120.64 119.17 1rxc n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1rxc n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1rxc n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxc n MET 197 N 0.00 2.85 0.00 3.44 2.81 -1.26 -0.99 117.12 123.97 1rxc n MET 197 Ca 0.00 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1rxc n MET 197 Cb 0.00 -0.41 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 1rxc n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1rxc n GLU 198 N -0.43 5.21 -0.04 0.03 4.71 -1.26 -3.67 120.64 125.20 1rxc n GLU 198 Ca 0.00 -0.07 -0.15 0.00 -0.01 0.00 0.00 57.16 56.92 1rxc n GLU 198 Cb 0.03 -0.53 -0.08 0.00 -1.01 0.00 0.00 31.44 29.84 1rxc n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1rxc h SER 199 N 0.00 0.62 -0.63 1.62 4.64 -1.93 -1.51 113.55 116.35 1rxc h SER 199 Ca 0.00 -0.61 0.11 0.00 -0.47 0.00 0.00 61.79 60.83 1rxc h SER 199 Cb 0.01 -0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 61.83 1rxc h SER 199 CO 0.00 1.12 0.19 0.00 -0.87 0.00 0.00 176.83 177.26 1rxc h ALA 200 N 0.52 0.79 0.01 5.18 0.00 -1.87 0.23 119.26 124.11 1rxc h ALA 200 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rxc h ALA 200 Cb 1.07 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rxc h ALA 200 CO 0.09 -0.26 -0.01 1.15 0.00 0.00 0.00 179.25 180.23 1rxc h THR 201 N 0.33 1.24 -0.24 0.00 2.02 -1.88 -1.99 112.91 112.40 1rxc h THR 201 Ca 0.33 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1rxc h THR 201 Cb 0.47 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1rxc h THR 201 CO -0.37 0.20 0.13 0.25 0.37 0.00 0.00 175.52 176.09 1rxc h LEU 202 N -0.34 0.20 -0.11 2.58 5.85 -0.82 -1.14 115.31 121.52 1rxc h LEU 202 Ca -0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1rxc h LEU 202 Cb 0.33 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1rxc h LEU 202 CO 0.00 0.15 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.09 1rxc h LEU 203 N 0.27 0.28 -0.30 2.25 3.38 -0.62 -2.40 115.31 118.17 1rxc h LEU 203 Ca 0.09 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1rxc h LEU 203 Cb 0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1rxc h LEU 203 CO -0.05 0.69 0.17 0.74 0.09 0.00 0.00 178.44 180.07 1rxc h THR 204 N -0.12 1.12 0.00 0.22 2.02 -1.31 -0.33 112.91 114.52 1rxc h THR 204 Ca 0.02 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 1rxc h THR 204 Cb 0.60 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1rxc h THR 204 CO 0.02 0.12 -0.48 0.00 0.37 0.00 0.00 175.52 175.56 1rxc h MET 205 N 0.37 0.00 0.09 6.66 -0.00 -1.22 -1.80 114.93 119.03 1rxc h MET 205 Ca 0.11 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.64 1rxc h MET 205 Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.66 1rxc h MET 205 CO -0.02 0.48 -0.76 0.00 -0.00 0.00 0.00 176.91 176.61 1rxc h ALA 207 N 0.00 1.23 0.00 0.00 0.00 -1.03 -0.91 119.26 118.54 1rxc h ALA 207 Ca -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rxc h ALA 207 Cb 1.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rxc h ALA 207 CO 0.08 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 1rxc n SER 208 N -4.31 0.00 -0.10 0.00 3.41 -0.68 -3.79 113.62 108.16 1rxc n SER 208 Ca 0.06 -1.04 0.01 0.00 -0.26 0.00 0.00 58.87 57.64 1rxc n SER 208 Cb 0.17 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1rxc n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxc n GLN 209 N -0.96 0.99 -0.89 4.33 6.02 -0.92 -5.01 117.38 120.95 1rxc n GLN 209 Ca 0.21 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 1rxc n GLN 209 Cb 0.10 -0.76 0.00 0.00 1.02 0.00 0.00 30.24 30.60 1rxc n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxc n GLY 210 N -0.31 0.63 3.89 1.08 0.00 -1.09 -5.04 105.19 104.35 1rxc n GLY 210 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1rxc n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxc s LEU 211 N 0.00 4.35 -0.09 0.99 1.43 -0.39 -5.04 118.68 119.93 1rxc s LEU 211 Ca 0.00 0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 53.46 1rxc s LEU 211 Cb 0.00 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1rxc s LEU 211 CO 0.00 0.21 0.49 -0.13 0.23 0.00 0.00 176.35 177.15 1rxc s ARG 212 N -1.97 4.29 -0.02 1.70 0.52 -0.83 -3.75 118.95 118.89 1rxc s ARG 212 Ca 0.30 0.49 -0.03 0.00 -0.52 0.00 0.00 55.73 55.97 1rxc s ARG 212 Cb -0.13 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.94 1rxc s ARG 212 CO 0.19 0.24 0.08 0.00 0.02 0.00 0.00 175.30 175.82 1rxc s ALA 213 N 0.34 -0.18 0.27 2.13 0.00 -1.26 -1.18 121.76 121.88 1rxc s ALA 213 Ca 0.26 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.40 1rxc s ALA 213 Cb -0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 1rxc s ALA 213 CO 0.12 -0.06 -0.00 0.20 0.00 0.00 0.00 175.76 176.01 1rxc s GLY 214 N -0.19 1.77 -0.07 0.00 0.00 -0.69 -0.46 107.32 107.68 1rxc s GLY 214 Ca -0.02 -1.88 -0.03 0.00 0.00 0.00 0.00 44.72 42.78 1rxc s GLY 214 CO 0.00 -1.76 0.15 -0.29 0.00 0.00 0.00 173.10 171.21 1rxc s MET 215 N -3.83 0.06 0.04 2.90 1.75 -1.26 -1.45 119.30 117.51 1rxc s MET 215 Ca 0.31 0.45 0.01 0.00 -1.25 0.00 0.00 55.69 55.21 1rxc s MET 215 Cb 0.06 -0.22 -0.02 0.00 2.84 0.00 0.00 34.83 37.48 1rxc s MET 215 CO 0.11 -0.23 -0.05 0.54 -0.65 0.00 0.00 175.02 174.74 1rxc s VAL 216 N 1.67 0.35 -0.24 10.11 0.11 -0.15 -2.05 120.40 130.20 1rxc s VAL 216 Ca -0.04 -1.09 -0.25 0.00 -2.93 0.00 0.00 61.98 57.68 1rxc s VAL 216 Cb -0.12 -0.56 0.07 0.00 -1.53 0.00 0.00 36.38 34.24 1rxc s VAL 216 CO -0.06 -0.49 0.69 0.00 -3.33 0.00 0.00 175.10 171.92 1rxc s ALA 217 N -1.65 -1.72 -0.07 1.54 0.00 -0.51 -1.14 121.76 118.20 1rxc s ALA 217 Ca -0.11 1.90 -0.14 0.00 0.00 0.00 0.00 51.96 53.61 1rxc s ALA 217 Cb -0.08 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1rxc s ALA 217 CO -0.01 -0.33 0.35 0.20 0.00 0.00 0.00 175.76 175.97 1rxc s GLY 218 N 0.22 2.36 -0.23 0.00 0.00 -0.64 -0.62 107.32 108.40 1rxc s GLY 218 Ca -0.01 -0.33 -0.29 0.00 0.00 0.00 0.00 44.72 44.09 1rxc s GLY 218 CO 0.02 0.23 1.02 0.14 0.00 0.00 0.00 173.10 174.51 1rxc s VAL 219 N -0.45 4.70 -0.49 1.40 1.01 -0.43 -2.17 120.40 123.97 1rxc s VAL 219 Ca 0.21 1.99 0.12 0.00 0.00 0.00 0.00 61.98 64.30 1rxc s VAL 219 Cb -0.15 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 1rxc s VAL 219 CO 0.09 -0.16 0.48 2.30 0.00 0.00 0.00 175.10 177.81 1rxc n ILE 220 N 5.28 0.00 -3.70 2.22 -5.35 -0.89 -0.57 119.36 116.35 1rxc n ILE 220 Ca 0.11 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 1rxc n ILE 220 Cb 0.46 0.89 -0.08 0.00 -1.74 0.00 0.00 39.64 39.18 1rxc n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxc s VAL 221 N -2.24 0.05 -0.20 7.28 0.11 -1.25 -4.18 120.40 119.98 1rxc s VAL 221 Ca 0.03 -0.42 -0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1rxc s VAL 221 Cb 0.09 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1rxc s VAL 221 CO 0.50 -0.23 -0.14 0.21 -3.33 0.00 0.00 175.10 172.10 1rxc s ASN 222 N -1.55 3.60 0.21 3.54 3.84 -1.26 -1.52 114.94 121.80 1rxc s ASN 222 Ca -0.10 -0.63 0.25 0.00 0.21 0.00 0.00 52.86 52.59 1rxc s ASN 222 Cb -0.03 -1.57 0.90 0.00 -0.55 0.00 0.00 41.25 40.00 1rxc s ASN 222 CO 0.03 -0.02 1.74 0.54 -2.79 0.00 0.00 177.10 176.60 1rxc n ARG 223 N 4.66 0.21 0.22 0.43 5.12 -0.01 -1.17 116.66 126.12 1rxc n ARG 223 Ca -0.20 0.30 0.15 0.00 -1.93 0.00 0.00 57.85 56.18 1rxc n ARG 223 Cb 0.50 -1.81 0.66 0.00 -1.16 0.00 0.00 32.46 30.65 1rxc n ARG 223 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1rxc h THR 224 N 0.00 0.00 0.00 0.55 1.35 -1.85 -3.36 112.91 109.59 1rxc h THR 224 Ca 0.00 -0.32 -0.12 0.00 -0.55 0.00 0.00 66.41 65.42 1rxc h THR 224 Cb 0.54 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 1rxc h THR 224 CO 0.00 0.00 -1.27 0.00 -0.25 0.00 0.00 175.52 174.00 1rxc n GLN 225 N -2.70 0.43 -4.05 4.72 1.13 -0.32 -5.10 117.38 111.49 1rxc n GLN 225 Ca 0.01 0.18 -0.09 0.00 -1.94 0.00 0.00 57.00 55.16 1rxc n GLN 225 Cb 0.23 -1.25 -0.11 0.00 0.11 0.00 0.00 30.24 29.23 1rxc n GLN 225 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1rxc s GLN 226 N -2.61 0.50 -0.08 -1.09 -0.21 -0.74 -5.08 119.66 110.35 1rxc s GLN 226 Ca -0.25 -0.93 -0.19 0.00 0.02 0.00 0.00 55.36 54.00 1rxc s GLN 226 Cb 0.06 0.07 -0.29 0.00 1.00 0.00 0.00 33.01 33.85 1rxc s GLN 226 CO 0.35 -0.06 0.72 0.93 -2.12 0.00 0.00 175.29 175.12 1rxc h GLU 227 N 3.90 0.26 -5.44 2.91 5.08 -1.86 -3.34 114.58 116.09 1rxc h GLU 227 Ca -0.33 -0.44 -0.64 0.00 -1.00 0.00 0.00 59.36 56.95 1rxc h GLU 227 Cb 1.18 0.16 -0.17 0.00 0.50 0.00 0.00 28.75 30.42 1rxc h GLU 227 CO 0.53 1.21 -0.60 0.42 -1.00 0.00 0.00 179.01 179.57 1rxc s ILE 228 N -2.44 4.48 0.79 3.13 -1.09 -1.26 -5.00 121.20 119.81 1rxc s ILE 228 Ca -0.17 -0.16 -0.14 0.00 -2.23 0.00 0.00 60.65 57.96 1rxc s ILE 228 Cb 0.02 -2.97 0.07 0.00 -1.58 0.00 0.00 42.46 38.00 1rxc s ILE 228 CO 0.79 0.51 1.20 -2.65 -1.23 0.00 0.00 174.94 173.55 1rxc n PRO 229 N 3.19 0.27 -3.11 2.79 -0.02 -1.26 -5.00 135.00 131.86 1rxc n PRO 229 Ca -0.17 0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.08 1rxc n PRO 229 Cb 0.53 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1rxc n PRO 229 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1rxc s ASN 230 N -2.04 7.24 0.08 2.55 0.01 -1.26 -5.01 114.94 116.51 1rxc s ASN 230 Ca 0.74 1.46 -0.24 0.00 -0.71 0.00 0.00 52.86 54.12 1rxc s ASN 230 Cb -0.30 -2.44 -0.16 0.00 0.41 0.00 0.00 41.25 38.77 1rxc s ASN 230 CO 0.50 0.23 1.69 0.00 -1.51 0.00 0.00 177.10 178.01 1rxc h ALA 231 N 4.51 -0.07 -0.93 0.60 0.00 -1.96 -3.35 119.26 118.06 1rxc h ALA 231 Ca -0.48 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.44 1rxc h ALA 231 Cb 1.21 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1rxc h ALA 231 CO 0.65 -0.52 0.60 1.05 0.00 0.00 0.00 179.25 181.03 1rxc h GLU 232 N -0.11 1.12 -0.35 0.00 9.09 -2.01 -3.03 114.58 119.29 1rxc h GLU 232 Ca -0.01 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.34 1rxc h GLU 232 Cb 0.09 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 26.94 1rxc h GLU 232 CO 0.01 0.74 0.00 -2.37 0.05 0.00 0.00 179.01 177.44 1rxc n THR 233 N -4.51 0.46 0.05 -1.06 5.66 -1.26 -4.43 114.28 109.20 1rxc n THR 233 Ca 0.12 -0.55 -0.12 0.00 -3.05 0.00 0.00 64.05 60.45 1rxc n THR 233 Cb 0.11 0.47 -0.13 0.00 -1.55 0.00 0.00 70.33 69.22 1rxc n THR 233 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1rxc h MET 234 N 2.91 0.13 -0.01 1.09 2.86 -1.68 -3.28 114.93 116.96 1rxc h MET 234 Ca 0.00 -0.23 -0.16 0.00 -2.06 0.00 0.00 59.70 57.25 1rxc h MET 234 Cb 0.65 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1rxc h MET 234 CO 0.00 0.99 -0.73 -0.22 1.06 0.00 0.00 176.91 178.00 1rxc h LYS 235 N 0.04 0.06 -0.01 1.72 3.64 -1.79 -2.85 116.57 117.37 1rxc h LYS 235 Ca -0.17 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.98 1rxc h LYS 235 Cb 1.93 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.75 1rxc h LYS 235 CO 0.14 0.76 -0.81 0.37 -2.27 0.00 0.00 179.45 177.65 1rxc h GLN 236 N 0.04 0.18 -0.43 1.90 4.15 -1.86 -2.88 115.11 116.20 1rxc h GLN 236 Ca -0.01 -0.18 -0.07 0.00 0.77 0.00 0.00 58.65 59.15 1rxc h GLN 236 Cb 1.30 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.02 1rxc h GLN 236 CO 0.10 0.90 -0.02 1.15 -1.93 0.00 0.00 178.83 179.03 1rxc h THR 237 N 0.11 1.26 -0.07 2.39 2.02 -1.60 -2.77 112.91 114.26 1rxc h THR 237 Ca -0.03 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.11 1rxc h THR 237 Cb 1.41 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1rxc h THR 237 CO 0.12 0.36 -0.08 -0.08 0.37 0.00 0.00 175.52 176.21 1rxc h GLU 238 N 0.61 -0.11 -0.87 6.66 4.81 -1.55 -2.75 114.58 121.38 1rxc h GLU 238 Ca 0.12 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1rxc h GLU 238 Cb 0.51 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 1rxc h GLU 238 CO 0.03 -0.07 0.56 1.03 -0.73 0.00 0.00 179.01 179.83 1rxc h SER 239 N -0.11 0.75 0.02 1.04 0.87 -1.48 -2.34 113.55 112.31 1rxc h SER 239 Ca 0.06 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1rxc h SER 239 Cb 0.19 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1rxc h SER 239 CO -0.13 0.44 -0.01 -0.74 -0.53 0.00 0.00 176.83 175.85 1rxc h HIS 240 N 0.83 -0.03 -0.58 2.24 2.76 -1.31 -2.84 115.15 116.22 1rxc h HIS 240 Ca 0.41 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.60 1rxc h HIS 240 Cb 0.45 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 1rxc h HIS 240 CO -0.00 0.56 0.38 0.00 -1.30 0.00 0.00 177.93 177.57 1rxc h ALA 241 N 0.29 1.65 -0.35 5.26 0.00 -1.46 -2.74 119.26 121.91 1rxc h ALA 241 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1rxc h ALA 241 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rxc h ALA 241 CO 0.01 0.30 -0.05 0.28 0.00 0.00 0.00 179.25 179.79 1rxc h VAL 242 N 0.72 1.27 -0.98 0.00 2.07 -1.43 -1.47 116.25 116.43 1rxc h VAL 242 Ca 0.22 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.75 1rxc h VAL 242 Cb 0.01 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1rxc h VAL 242 CO -0.05 0.35 0.63 0.11 0.02 0.00 0.00 177.57 178.63 1rxc h LYS 243 N 0.45 1.03 -0.16 1.57 6.56 -1.24 -1.60 116.57 123.19 1rxc h LYS 243 Ca 0.09 -0.06 -0.05 0.00 -1.06 0.00 0.00 60.65 59.57 1rxc h LYS 243 Cb 0.53 -0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 31.96 1rxc h LYS 243 CO 0.03 0.68 -0.11 0.82 -2.06 0.00 0.00 179.45 178.82 1rxc h ILE 244 N 1.07 1.33 -0.10 1.86 2.04 -1.24 -2.07 117.51 120.39 1rxc h ILE 244 Ca 0.45 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 1rxc h ILE 244 Cb 0.30 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1rxc h ILE 244 CO -0.20 0.35 -0.15 1.62 0.00 0.00 0.00 178.15 179.77 1rxc h VAL 245 N 0.01 1.17 -0.03 1.67 3.04 -0.86 -0.13 116.25 121.11 1rxc h VAL 245 Ca 0.03 -0.76 -0.23 0.00 -1.01 0.00 0.00 66.70 64.73 1rxc h VAL 245 Cb 0.60 1.27 0.01 0.00 -2.01 0.00 0.00 31.29 31.16 1rxc h VAL 245 CO 0.03 0.23 -0.91 0.58 -1.01 0.00 0.00 177.57 176.49 1rxc h VAL 246 N 0.15 1.35 -0.11 1.51 2.07 -1.27 -1.87 116.25 118.08 1rxc h VAL 246 Ca 0.03 -2.29 -0.13 0.00 0.82 0.00 0.00 66.70 65.14 1rxc h VAL 246 Cb 0.37 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1rxc h VAL 246 CO 0.02 0.69 -0.49 -0.08 0.02 0.00 0.00 177.57 177.74 1rxc h GLU 247 N 0.32 0.28 -0.07 1.57 4.57 -0.87 -2.50 114.58 117.88 1rxc h GLU 247 Ca -0.08 -0.15 -0.21 0.00 -1.18 0.00 0.00 59.36 57.73 1rxc h GLU 247 Cb 1.53 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.15 1rxc h GLU 247 CO 0.17 0.71 -0.79 0.00 -1.18 0.00 0.00 179.01 177.91 1rxc h ALA 248 N 1.27 0.19 -0.79 2.92 0.00 -1.01 -2.84 119.26 119.00 1rxc h ALA 248 Ca 0.01 -0.61 0.16 0.00 0.00 0.00 0.00 54.91 54.47 1rxc h ALA 248 Cb 0.95 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1rxc h ALA 248 CO 0.08 0.58 0.53 0.00 0.00 0.00 0.00 179.25 180.43 1rxc h ALA 249 N 0.45 2.11 -0.68 0.00 0.00 -1.28 -2.21 119.26 117.66 1rxc h ALA 249 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1rxc h ALA 249 Cb 1.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1rxc h ALA 249 CO 0.16 -0.34 0.33 -0.09 0.00 0.00 0.00 179.25 179.32 1rxc h ARG 250 N 0.43 0.97 -0.00 0.00 2.43 -1.19 -2.79 114.38 114.23 1rxc h ARG 250 Ca 0.39 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1rxc h ARG 250 Cb 0.90 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1rxc h ARG 250 CO -0.13 0.76 -0.01 0.54 -1.51 0.00 0.00 179.97 179.62 1rxc n ARG 251 N -4.46 0.92 -0.07 0.20 1.74 -0.84 -3.61 116.66 110.53 1rxc n ARG 251 Ca 0.05 -0.09 0.04 0.00 -0.77 0.00 0.00 57.85 57.08 1rxc n ARG 251 Cb 0.12 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.14 1rxc n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rxc n LEU 252 N -0.96 2.22 0.00 0.55 4.77 -1.06 -5.05 117.00 117.47 1rxc n LEU 252 Ca 0.21 -1.50 0.08 0.00 -0.03 0.00 0.00 56.01 54.78 1rxc n LEU 252 Cb 0.17 -0.09 0.50 0.00 -2.33 0.00 0.00 43.42 41.67 1rxc n LEU 252 CO 0.19 0.51 0.70 0.18 -1.33 0.00 0.00 177.39 177.65