#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhu n PHE 3 N 0.00 0.26 -0.07 0.66 3.72 -1.26 -4.11 117.46 116.66 1xhu n PHE 3 Ca 0.00 0.08 -0.09 0.00 -0.05 0.00 0.00 57.45 57.38 1xhu n PHE 3 Cb 0.00 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.04 1xhu n PHE 3 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1xhu h ILE 4 N 0.00 0.59 -0.16 4.37 2.04 -1.98 -3.40 117.51 118.97 1xhu h ILE 4 Ca 0.00 -1.56 0.01 0.00 1.00 0.00 0.00 64.86 64.31 1xhu h ILE 4 Cb 0.75 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1xhu h ILE 4 CO 0.00 0.20 -0.10 1.17 0.00 0.00 0.00 178.15 179.42 1xhu n LYS 5 N -4.61 -0.07 -0.06 2.37 3.00 -1.26 0.23 118.16 117.75 1xhu n LYS 5 Ca -0.12 0.44 0.23 0.00 -0.00 0.00 0.00 58.31 58.86 1xhu n LYS 5 Cb 0.34 -0.65 0.49 0.00 0.00 0.00 0.00 35.03 35.21 1xhu n LYS 5 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1xhu h PRO 6 N 0.00 0.00 0.00 1.64 0.11 -1.76 0.50 132.00 132.49 1xhu h PRO 6 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1xhu h PRO 6 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1xhu h PRO 6 CO -0.15 0.00 -0.01 0.44 -0.21 0.00 0.00 178.00 178.07 1xhu n ILE 7 N -3.26 0.97 -0.28 4.15 -5.35 0.63 -4.82 119.36 111.41 1xhu n ILE 7 Ca 0.16 -1.02 0.02 0.00 -0.27 0.00 0.00 62.75 61.64 1xhu n ILE 7 Cb 1.21 0.47 0.09 0.00 -1.74 0.00 0.00 39.64 39.67 1xhu n ILE 7 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1xhu h TYR 8 N 0.00 -0.45 -0.83 4.28 3.20 0.11 0.13 116.97 123.41 1xhu h TYR 8 Ca 0.00 0.07 0.14 0.00 3.14 0.00 0.00 58.73 62.08 1xhu h TYR 8 Cb 0.64 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.17 1xhu h TYR 8 CO 0.00 -0.34 0.54 1.96 -1.64 0.00 0.00 178.16 178.68 1xhu h GLN 9 N -0.01 0.58 -0.10 1.82 1.08 -1.88 0.60 115.11 117.20 1xhu h GLN 9 Ca 0.37 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.38 1xhu h GLN 9 Cb 0.58 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1xhu h GLN 9 CO -0.81 0.38 -0.64 0.22 -0.95 0.00 0.00 178.83 177.02 1xhu h ASP 10 N 0.59 0.42 0.16 1.46 1.82 -1.14 -2.84 116.42 116.89 1xhu h ASP 10 Ca 0.41 -0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1xhu h ASP 10 Cb 0.74 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.63 1xhu h ASP 10 CO -0.17 0.95 -0.08 0.40 -1.61 0.00 0.00 179.24 178.74 1xhu h ILE 11 N 0.27 0.97 -1.03 2.25 2.04 0.14 -2.78 117.51 119.37 1xhu h ILE 11 Ca -0.01 -0.77 0.27 0.00 1.00 0.00 0.00 64.86 65.34 1xhu h ILE 11 Cb 1.18 1.43 -0.12 0.00 -0.74 0.00 0.00 36.82 38.57 1xhu h ILE 11 CO 0.11 0.17 0.62 -1.13 0.00 0.00 0.00 178.15 177.93 1xhu h ASN 12 N -0.60 0.58 -0.42 1.72 -1.24 0.05 0.37 115.58 116.03 1xhu h ASN 12 Ca -0.02 0.13 -0.13 0.00 0.71 0.00 0.00 56.30 56.99 1xhu h ASN 12 Cb 0.45 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 1xhu h ASN 12 CO 0.04 0.06 -0.25 0.28 -1.29 0.00 0.00 177.43 176.27 1xhu h SER 13 N 0.48 0.95 0.29 1.15 0.02 -1.42 -0.75 113.55 114.27 1xhu h SER 13 Ca 0.65 -0.42 -0.24 0.00 -0.84 0.00 0.00 61.79 60.95 1xhu h SER 13 Cb 1.42 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.70 1xhu h SER 13 CO -0.44 1.16 -0.98 0.40 -1.14 0.00 0.00 176.83 175.83 1xhu h ILE 14 N 0.74 1.38 -0.01 3.27 5.03 -0.72 -3.33 117.51 123.88 1xhu h ILE 14 Ca 0.09 -2.44 -0.15 0.00 -0.12 0.00 0.00 64.86 62.24 1xhu h ILE 14 Cb 0.82 2.44 0.01 0.00 -3.03 0.00 0.00 36.82 37.06 1xhu h ILE 14 CO 0.07 0.73 -0.59 -0.07 -0.68 0.00 0.00 178.15 177.61 1xhu h LEU 15 N 0.25 0.54 -9.15 1.44 3.38 -0.38 -3.41 115.31 107.98 1xhu h LEU 15 Ca -0.09 -0.75 -0.56 0.00 0.09 0.00 0.00 57.88 56.57 1xhu h LEU 15 Cb 1.62 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1xhu h LEU 15 CO 0.17 1.21 1.24 -0.63 0.09 0.00 0.00 178.44 180.52 1xhu s ILE 16 N -3.25 3.32 0.00 1.22 1.01 -0.29 -2.02 121.20 121.19 1xhu s ILE 16 Ca -0.13 0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1xhu s ILE 16 Cb 0.04 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1xhu s ILE 16 CO 0.82 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 176.26 1xhu n GLY 17 N 4.81 2.04 3.76 6.18 0.00 -1.07 -4.88 105.19 116.03 1xhu n GLY 17 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1xhu n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xhu s GLN 18 N -0.17 3.03 0.05 1.61 -1.52 -0.86 -4.77 119.66 117.03 1xhu s GLN 18 Ca 0.00 1.63 0.05 0.00 -1.95 0.00 0.00 55.36 55.09 1xhu s GLN 18 Cb 0.00 -1.96 -0.02 0.00 -0.22 0.00 0.00 33.01 30.81 1xhu s GLN 18 CO 0.00 -1.11 -0.13 0.15 -0.25 0.00 0.00 175.29 173.94 1xhu s LYS 19 N -3.53 0.85 -0.02 2.91 1.02 -1.26 -1.75 119.74 117.96 1xhu s LYS 19 Ca 0.73 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1xhu s LYS 19 Cb -0.25 -0.84 0.02 0.00 -0.52 0.00 0.00 37.83 36.24 1xhu s LYS 19 CO 0.33 0.20 0.01 0.14 -0.92 0.00 0.00 175.35 175.11 1xhu s VAL 20 N -1.01 0.06 0.25 3.17 -7.23 -0.61 -4.94 120.40 110.09 1xhu s VAL 20 Ca -0.00 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 1xhu s VAL 20 Cb -0.09 -0.16 -0.11 0.00 0.56 0.00 0.00 36.38 36.58 1xhu s VAL 20 CO 0.01 0.10 1.52 -1.59 -0.31 0.00 0.00 175.10 174.84 1xhu s LYS 21 N 0.90 4.20 0.30 4.82 0.00 -1.26 0.33 119.74 129.02 1xhu s LYS 21 Ca -0.08 2.42 -0.30 0.00 0.00 0.00 0.00 55.97 58.01 1xhu s LYS 21 Cb -0.12 -3.08 -0.11 0.00 0.00 0.00 0.00 37.83 34.52 1xhu s LYS 21 CO -0.02 -0.54 1.59 0.50 0.00 0.00 0.00 175.35 176.88 1xhu s ARG 22 N -0.14 4.12 -0.20 1.78 3.52 -1.14 -4.82 118.95 122.08 1xhu s ARG 22 Ca 0.63 2.57 -0.29 0.00 -0.13 0.00 0.00 55.73 58.52 1xhu s ARG 22 Cb -0.45 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1xhu s ARG 22 CO 0.43 -0.63 2.02 -2.14 -0.81 0.00 0.00 175.30 174.17 1xhu s PRO 23 N -0.58 3.42 0.00 5.12 0.02 -1.26 -2.70 135.00 139.01 1xhu s PRO 23 Ca 0.63 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1xhu s PRO 23 Cb -0.48 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 29.78 1xhu s PRO 23 CO 0.49 -1.77 0.00 0.36 -0.33 0.00 0.00 177.00 175.75 1xhu n LYS 24 N 8.36 -0.89 -0.51 5.54 -0.00 -1.26 -2.70 118.16 126.69 1xhu n LYS 24 Ca 0.25 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1xhu n LYS 24 Cb 0.45 -4.08 0.00 0.00 -0.00 0.00 0.00 35.03 31.40 1xhu n LYS 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1xhu n SER 25 N -0.07 0.00 0.00 -5.58 2.88 -1.10 -4.92 113.62 104.83 1xhu n SER 25 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xhu n SER 25 Cb 0.18 -1.92 0.00 0.00 -0.75 0.00 0.00 64.21 61.71 1xhu n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xhu n GLY 26 N -2.00 0.26 3.58 0.46 0.00 -1.10 -4.89 105.19 101.50 1xhu n GLY 26 Ca 0.00 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1xhu n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xhu s THR 27 N 0.00 3.68 -1.07 2.61 2.01 -1.26 -4.94 115.64 116.66 1xhu s THR 27 Ca 0.00 0.60 -0.15 0.00 0.31 0.00 0.00 61.69 62.44 1xhu s THR 27 Cb 0.00 -4.19 0.16 0.00 0.01 0.00 0.00 72.50 68.48 1xhu s THR 27 CO 0.00 -0.94 1.26 -1.48 -0.69 0.00 0.00 174.62 172.77 1xhu s LEU 28 N 6.61 5.22 0.00 4.42 2.34 -1.26 -4.92 118.68 131.08 1xhu s LEU 28 Ca 0.61 -2.64 -0.09 0.00 0.06 0.00 0.00 54.13 52.07 1xhu s LEU 28 Cb -0.13 -2.38 0.03 0.00 -0.56 0.00 0.00 46.19 43.15 1xhu s LEU 28 CO 0.27 -0.84 0.54 -1.54 -1.06 0.00 0.00 176.35 173.72 1xhu n SER 29 N 5.74 -1.56 -0.24 1.48 3.41 -1.26 -4.82 113.62 116.38 1xhu n SER 29 Ca 0.30 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1xhu n SER 29 Cb 0.45 2.66 0.00 0.00 -0.26 0.00 0.00 64.21 67.06 1xhu n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xhu n GLY 30 N -0.42 -0.24 0.00 5.00 0.00 -1.26 -3.51 105.19 104.76 1xhu n GLY 30 Ca -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1xhu n GLY 30 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xhu n HIS 31 N -0.48 0.00 -2.95 1.61 -0.00 -1.26 -2.19 115.22 109.95 1xhu n HIS 31 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 1xhu n HIS 31 Cb 0.00 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.99 29.64 1xhu n HIS 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xhu s ALA 32 N -3.62 3.60 -0.10 1.57 0.00 -1.26 -4.56 121.76 117.40 1xhu s ALA 32 Ca 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 51.96 48.97 1xhu s ALA 32 Cb 0.00 -4.04 -0.06 0.00 0.00 0.00 0.00 23.12 19.02 1xhu s ALA 32 CO 0.00 -2.88 -0.11 0.00 0.00 0.00 0.00 175.76 172.77 1xhu n ALA 33 N 6.13 2.00 -1.62 0.00 0.00 -0.93 -3.99 120.51 122.09 1xhu n ALA 33 Ca 0.27 -0.42 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 1xhu n ALA 33 Cb 0.47 0.31 -0.01 0.00 0.00 0.00 0.00 19.45 20.22 1xhu n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xhu n GLY 34 N 2.76 0.53 0.29 0.00 0.00 -1.26 -4.49 105.19 103.02 1xhu n GLY 34 Ca -0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.00 1xhu n GLY 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xhu h GLU 35 N 0.00 0.00 0.00 1.61 -0.00 -1.90 -2.81 114.58 111.47 1xhu h GLU 35 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1xhu h GLU 35 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.41 1xhu h GLU 35 CO -0.02 0.06 0.18 -2.30 -0.00 0.00 0.00 179.01 176.93 1xhu n PRO 36 N -3.41 0.00 0.11 1.06 -0.02 -1.26 0.74 135.00 132.22 1xhu n PRO 36 Ca -0.02 0.32 -0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1xhu n PRO 36 Cb 0.20 -1.68 0.17 0.00 -0.02 0.00 0.00 33.50 32.17 1xhu n PRO 36 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1xhu h PHE 37 N 0.00 0.19 -0.98 6.00 -1.00 -1.94 -3.02 116.94 116.19 1xhu h PHE 37 Ca 0.00 -0.07 0.22 0.00 2.81 0.00 0.00 57.97 60.93 1xhu h PHE 37 Cb 0.37 -0.04 -0.09 0.00 3.61 0.00 0.00 35.95 39.80 1xhu h PHE 37 CO 0.00 0.67 0.62 1.05 -1.61 0.00 0.00 178.31 179.04 1xhu h GLU 38 N 0.12 0.52 0.09 1.51 4.11 0.07 0.10 114.58 121.10 1xhu h GLU 38 Ca -0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1xhu h GLU 38 Cb 1.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1xhu h GLU 38 CO 0.08 0.34 -0.04 0.87 0.07 0.00 0.00 179.01 180.33 1xhu h LYS 39 N 0.53 -0.12 -0.91 1.06 1.57 -1.69 -1.63 116.57 115.38 1xhu h LYS 39 Ca 0.54 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.56 1xhu h LYS 39 Cb 1.16 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 1xhu h LYS 39 CO -0.28 0.01 0.62 -0.07 -0.57 0.00 0.00 179.45 179.16 1xhu h LEU 40 N -0.22 0.26 0.15 2.94 4.07 -0.91 0.57 115.31 122.17 1xhu h LEU 40 Ca -0.01 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1xhu h LEU 40 Cb 0.18 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1xhu h LEU 40 CO 0.02 0.09 -0.07 0.58 -1.08 0.00 0.00 178.44 177.98 1xhu h VAL 41 N 0.25 1.00 -0.11 1.22 2.07 -0.84 -0.89 116.25 118.94 1xhu h VAL 41 Ca 0.47 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1xhu h VAL 41 Cb 1.40 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 1xhu h VAL 41 CO -0.13 0.20 -0.28 0.22 0.02 0.00 0.00 177.57 177.61 1xhu h TYR 42 N -0.66 -0.76 -0.31 1.57 3.20 -0.07 0.85 116.97 120.79 1xhu h TYR 42 Ca -0.02 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1xhu h TYR 42 Cb 0.49 0.35 -0.08 0.00 1.54 0.00 0.00 36.73 39.03 1xhu h TYR 42 CO 0.06 -0.36 -0.44 -0.22 -1.64 0.00 0.00 178.16 175.56 1xhu h LYS 43 N -0.36 -0.38 0.73 1.82 3.64 0.03 1.07 116.57 123.13 1xhu h LYS 43 Ca 0.09 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1xhu h LYS 43 Cb 0.50 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1xhu h LYS 43 CO -0.32 -0.25 -0.38 0.35 -2.27 0.00 0.00 179.45 176.58 1xhu h PHE 44 N -0.39 -1.01 -0.79 1.91 3.57 -0.57 -1.49 116.94 118.17 1xhu h PHE 44 Ca 0.11 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.77 1xhu h PHE 44 Cb 0.60 0.34 -0.12 0.00 2.79 0.00 0.00 35.95 39.57 1xhu h PHE 44 CO -0.59 -0.60 0.21 -0.07 -2.23 0.00 0.00 178.31 175.03 1xhu h LEU 45 N -1.03 0.04 -0.81 0.59 4.07 0.12 -0.91 115.31 117.38 1xhu h LEU 45 Ca -0.10 0.16 0.04 0.00 0.08 0.00 0.00 57.88 58.06 1xhu h LEU 45 Cb 0.80 0.21 -0.05 0.00 1.08 0.00 0.00 40.66 42.70 1xhu h LEU 45 CO 0.14 -0.06 0.51 0.50 -1.08 0.00 0.00 178.44 178.45 1xhu h LYS 46 N 0.27 0.96 -0.03 1.13 1.63 0.16 0.72 116.57 121.41 1xhu h LYS 46 Ca 0.46 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.19 1xhu h LYS 46 Cb 0.83 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1xhu h LYS 46 CO -0.55 0.64 -0.02 0.93 -3.45 0.00 0.00 179.45 176.99 1xhu h GLU 47 N 0.99 0.07 0.00 1.90 5.08 -0.16 -1.04 114.58 121.42 1xhu h GLU 47 Ca 0.33 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1xhu h GLU 47 Cb 0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1xhu h GLU 47 CO -0.13 0.50 -0.43 -0.91 -1.00 0.00 0.00 179.01 177.04 1xhu h ASN 48 N -0.35 0.00 -2.07 1.42 4.21 -1.09 -3.35 115.58 114.35 1xhu h ASN 48 Ca 0.01 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 57.00 1xhu h ASN 48 Cb 0.48 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 37.27 1xhu h ASN 48 CO 0.01 0.43 -1.06 0.18 -1.29 0.00 0.00 177.43 175.70 1xhu n LEU 49 N -3.39 1.65 -0.29 1.61 4.77 0.25 -4.97 117.00 116.63 1xhu n LEU 49 Ca 0.01 -5.15 0.03 0.00 -0.03 0.00 0.00 56.01 50.87 1xhu n LEU 49 Cb 0.60 0.40 0.16 0.00 -2.33 0.00 0.00 43.42 42.25 1xhu n LEU 49 CO 0.38 2.28 1.14 -1.28 -1.33 0.00 0.00 177.39 178.59 1xhu h SER 50 N 3.10 0.68 0.98 -1.43 0.87 -1.32 -0.76 113.55 115.68 1xhu h SER 50 Ca 0.11 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1xhu h SER 50 Cb 0.85 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1xhu h SER 50 CO 0.58 0.40 0.00 0.47 -0.53 0.00 0.00 176.83 177.74 1xhu n ASP 51 N -4.73 0.41 -0.06 6.23 8.00 -1.26 -4.06 116.55 121.08 1xhu n ASP 51 Ca 0.13 0.56 -0.08 0.00 0.71 0.00 0.00 54.79 56.12 1xhu n ASP 51 Cb 0.27 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 40.64 1xhu n ASP 51 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xhu n LEU 52 N -1.91 2.10 -4.70 0.64 4.32 -0.86 -4.87 117.00 111.72 1xhu n LEU 52 Ca 0.05 -0.05 -0.44 0.00 -0.02 0.00 0.00 56.01 55.55 1xhu n LEU 52 Cb 0.31 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.83 1xhu n LEU 52 CO 0.24 0.58 1.32 0.41 -1.22 0.00 0.00 177.39 178.72 1xhu n THR 53 N -2.72 0.05 -3.91 -5.08 -1.04 -0.35 -2.17 114.28 99.06 1xhu n THR 53 Ca -0.21 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.05 61.70 1xhu n THR 53 Cb 0.76 -1.84 -0.06 0.00 -1.82 0.00 0.00 70.33 67.37 1xhu n THR 53 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1xhu s PHE 54 N 1.31 0.28 -0.04 -1.42 0.08 0.21 -4.95 117.98 113.45 1xhu s PHE 54 Ca 0.78 -0.64 -0.00 0.00 0.12 0.00 0.00 56.93 57.18 1xhu s PHE 54 Cb -0.57 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.88 1xhu s PHE 54 CO 0.35 -0.75 0.00 0.15 -0.10 0.00 0.00 175.22 174.87 1xhu s LYS 55 N -3.94 2.89 0.19 0.44 -0.14 -1.26 -1.44 119.74 116.47 1xhu s LYS 55 Ca 0.15 -0.51 -0.24 0.00 -1.36 0.00 0.00 55.97 54.01 1xhu s LYS 55 Cb 0.02 -2.73 0.07 0.00 -1.68 0.00 0.00 37.83 33.52 1xhu s LYS 55 CO -0.01 0.66 1.55 0.37 -0.76 0.00 0.00 175.35 177.17 1xhu h GLN 56 N 4.74 -0.09 -0.44 1.68 4.15 -1.78 0.59 115.11 123.96 1xhu h GLN 56 Ca -0.50 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 1xhu h GLN 56 Cb 1.18 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 1xhu h GLN 56 CO 0.56 -0.06 0.25 0.10 -1.93 0.00 0.00 178.83 177.75 1xhu h TYR 57 N -0.09 0.60 -0.97 3.99 -0.00 -1.93 -1.36 116.97 117.22 1xhu h TYR 57 Ca 0.23 -0.01 0.12 0.00 0.00 0.00 0.00 58.73 59.07 1xhu h TYR 57 Cb 0.53 -0.19 -0.08 0.00 0.00 0.00 0.00 36.73 36.99 1xhu h TYR 57 CO -0.85 0.45 0.62 1.49 -0.00 0.00 0.00 178.16 179.87 1xhu h GLU 58 N 0.58 0.91 -0.10 0.10 4.81 -0.98 0.13 114.58 120.03 1xhu h GLU 58 Ca 0.16 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1xhu h GLU 58 Cb 0.05 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1xhu h GLU 58 CO -0.03 0.60 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.90 1xhu h TYR 59 N 0.94 0.23 -0.29 0.92 5.03 0.77 -1.62 116.97 122.95 1xhu h TYR 59 Ca 0.48 -0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.77 1xhu h TYR 59 Cb 0.51 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.70 1xhu h TYR 59 CO -0.00 0.55 0.06 -0.07 -1.32 0.00 0.00 178.16 177.37 1xhu h LEU 60 N -0.15 0.01 -1.25 2.82 3.38 -0.17 0.11 115.31 120.06 1xhu h LEU 60 Ca 0.02 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xhu h LEU 60 Cb 0.48 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1xhu h LEU 60 CO 0.01 0.04 0.42 0.78 0.09 0.00 0.00 178.44 179.78 1xhu h ASN 61 N 0.17 0.81 -0.30 -0.43 2.35 -0.77 -0.91 115.58 116.49 1xhu h ASN 61 Ca 0.14 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1xhu h ASN 61 Cb 0.14 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1xhu h ASN 61 CO -0.18 0.62 -0.29 -0.78 -1.65 0.00 0.00 177.43 175.15 1xhu h ASP 62 N 0.94 0.84 0.23 5.81 3.58 -0.55 -0.88 116.42 126.39 1xhu h ASP 62 Ca 0.25 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1xhu h ASP 62 Cb -0.04 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.76 1xhu h ASP 62 CO -0.05 1.07 -0.20 0.25 -2.88 0.00 0.00 179.24 177.44 1xhu h LEU 63 N 0.69 -0.52 -1.44 2.28 5.85 0.44 -2.51 115.31 120.11 1xhu h LEU 63 Ca 0.08 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1xhu h LEU 63 Cb 0.83 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1xhu h LEU 63 CO 0.07 -0.30 -0.28 -0.26 -0.34 0.00 0.00 178.44 177.33 1xhu h PHE 64 N -0.44 0.00 0.00 1.25 -1.00 -1.15 -3.06 116.94 112.54 1xhu h PHE 64 Ca -0.01 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 1xhu h PHE 64 Cb 0.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 1xhu h PHE 64 CO -0.13 0.28 -0.49 0.52 -1.61 0.00 0.00 178.31 176.87 1xhu h MET 65 N 0.00 0.00 -0.99 1.51 2.86 -0.85 -3.12 114.93 114.35 1xhu h MET 65 Ca -0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 1xhu h MET 65 Cb 0.55 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 31.91 1xhu h MET 65 CO 0.04 0.49 0.72 0.36 1.06 0.00 0.00 176.91 179.58 1xhu n LYS 66 N -3.80 2.42 -2.72 1.72 2.85 -0.97 -4.30 118.16 113.35 1xhu n LYS 66 Ca -0.01 -3.13 -0.08 0.00 -1.05 0.00 0.00 58.31 54.04 1xhu n LYS 66 Cb 0.53 -2.22 0.10 0.00 -0.65 0.00 0.00 35.03 32.80 1xhu n LYS 66 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1xhu n ASN 67 N -1.06 -2.15 -0.09 -5.58 3.02 -1.18 -5.01 115.26 103.21 1xhu n ASN 67 Ca 0.61 -3.23 0.07 0.00 -0.03 0.00 0.00 54.58 51.99 1xhu n ASN 67 Cb 1.27 1.57 0.42 0.00 -0.61 0.00 0.00 39.78 42.44 1xhu n ASN 67 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1xhu h PRO 68 N 2.63 0.56 0.00 3.52 0.11 -1.75 -1.84 132.00 135.23 1xhu h PRO 68 Ca -0.17 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1xhu h PRO 68 Cb 1.17 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1xhu h PRO 68 CO 0.06 0.37 -0.02 0.00 -0.21 0.00 0.00 178.00 178.20 1xhu h ALA 69 N 1.68 1.13 -3.11 -0.75 0.00 -1.95 -3.41 119.26 112.86 1xhu h ALA 69 Ca 0.24 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.53 1xhu h ALA 69 Cb 0.23 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 1xhu h ALA 69 CO -0.07 0.02 -0.44 0.42 0.00 0.00 0.00 179.25 179.18 1xhu s ILE 70 N -4.17 5.35 0.23 0.00 1.09 -0.69 -5.08 121.20 117.92 1xhu s ILE 70 Ca -0.04 0.29 0.01 0.00 -1.10 0.00 0.00 60.65 59.81 1xhu s ILE 70 Cb 0.13 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.95 1xhu s ILE 70 CO 0.48 0.36 0.15 0.27 -0.10 0.00 0.00 174.94 176.11 1xhu s ILE 71 N 0.82 0.05 0.08 2.92 -4.36 -1.26 -4.90 121.20 114.55 1xhu s ILE 71 Ca 0.10 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1xhu s ILE 71 Cb -0.13 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.07 1xhu s ILE 71 CO 0.03 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.82 1xhu n GLY 72 N -0.36 -4.21 0.23 6.27 0.00 -1.26 -4.18 105.19 101.68 1xhu n GLY 72 Ca 0.03 -0.61 0.20 0.00 0.00 0.00 0.00 46.02 45.64 1xhu n GLY 72 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1xhu n HIS 73 N 0.57 0.74 0.00 1.61 1.44 -1.26 -1.31 115.22 117.01 1xhu n HIS 73 Ca 0.00 0.84 0.00 0.00 -2.01 0.00 0.00 57.72 56.55 1xhu n HIS 73 Cb 0.00 -1.21 0.00 0.00 0.12 0.00 0.00 29.99 28.90 1xhu n HIS 73 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1xhu n GLU 74 N -4.67 0.00 0.08 -1.40 4.71 -1.26 -0.93 120.64 117.17 1xhu n GLU 74 Ca 0.25 0.73 0.01 0.00 -0.01 0.00 0.00 57.16 58.13 1xhu n GLU 74 Cb 0.83 -1.36 0.33 0.00 -1.01 0.00 0.00 31.44 30.23 1xhu n GLU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xhu h ALA 75 N -1.47 1.39 -0.17 0.62 0.00 -1.36 -3.14 119.26 115.12 1xhu h ALA 75 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xhu h ALA 75 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xhu h ALA 75 CO 0.00 0.42 0.06 0.00 0.00 0.00 0.00 179.25 179.73 1xhu h ARG 76 N 0.31 0.14 0.00 0.00 3.08 -1.02 -1.28 114.38 115.62 1xhu h ARG 76 Ca 0.06 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1xhu h ARG 76 Cb 0.44 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1xhu h ARG 76 CO 0.03 0.10 -0.01 1.88 -1.07 0.00 0.00 179.97 180.89 1xhu h TYR 77 N 0.15 0.00 0.00 3.04 0.05 -0.99 0.32 116.97 119.54 1xhu h TYR 77 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1xhu h TYR 77 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 1xhu h TYR 77 CO -0.11 0.01 0.00 1.63 -1.05 0.00 0.00 178.16 178.65 1xhu n LYS 78 N -3.34 0.22 0.25 4.88 4.01 -0.49 -3.34 118.16 120.35 1xhu n LYS 78 Ca -0.03 0.26 0.13 0.00 -0.51 0.00 0.00 58.31 58.17 1xhu n LYS 78 Cb 0.12 -1.80 0.60 0.00 -0.51 0.00 0.00 35.03 33.43 1xhu n LYS 78 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1xhu h LEU 79 N 0.00 0.00 -0.60 -0.35 3.38 -0.80 -3.22 115.31 113.71 1xhu h LEU 79 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xhu h LEU 79 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1xhu h LEU 79 CO 0.00 0.13 0.19 -0.26 0.09 0.00 0.00 178.44 178.59 1xhu h PHE 80 N 0.00 0.97 -1.44 1.13 -1.00 -1.72 -3.47 116.94 111.42 1xhu h PHE 80 Ca -0.00 -0.10 -0.25 0.00 2.81 0.00 0.00 57.97 60.43 1xhu h PHE 80 Cb 0.59 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.83 1xhu h PHE 80 CO 0.00 0.81 -0.29 0.09 -1.61 0.00 0.00 178.31 177.30 1xhu n ASN 81 N -4.39 -4.04 -3.29 2.17 3.02 -1.22 -4.97 115.26 102.54 1xhu n ASN 81 Ca 0.03 0.07 0.03 0.00 -0.03 0.00 0.00 54.58 54.68 1xhu n ASN 81 Cb 0.21 -3.08 -0.02 0.00 -0.61 0.00 0.00 39.78 36.28 1xhu n ASN 81 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xhu s SER 82 N -2.56 -1.09 0.45 6.41 0.15 -1.26 -5.02 113.70 110.79 1xhu s SER 82 Ca 0.00 0.92 0.12 0.00 0.70 0.00 0.00 55.95 57.70 1xhu s SER 82 Cb 0.00 2.01 1.05 0.00 -1.71 0.00 0.00 66.02 67.38 1xhu s SER 82 CO 0.00 -0.21 2.06 -0.65 1.20 0.00 0.00 173.24 175.64 1xhu h PRO 83 N 7.95 0.32 0.04 5.44 0.11 -1.96 -1.12 132.00 142.77 1xhu h PRO 83 Ca -0.20 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 1xhu h PRO 83 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xhu h PRO 83 CO 0.15 0.21 -0.02 1.15 -0.21 0.00 0.00 178.00 179.28 1xhu h THR 84 N 0.33 0.00 -1.17 -1.15 2.02 -1.95 -1.92 112.91 109.07 1xhu h THR 84 Ca 0.15 -0.04 0.37 0.00 0.77 0.00 0.00 66.41 67.66 1xhu h THR 84 Cb 0.18 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.46 1xhu h THR 84 CO -0.03 0.00 0.73 -0.07 0.37 0.00 0.00 175.52 176.52 1xhu h LEU 85 N -0.09 0.35 0.62 2.58 3.38 -1.95 0.26 115.31 120.47 1xhu h LEU 85 Ca -0.01 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xhu h LEU 85 Cb 0.04 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1xhu h LEU 85 CO 0.01 -0.13 -0.40 0.25 0.09 0.00 0.00 178.44 178.26 1xhu h LEU 86 N 0.20 -1.02 -1.22 1.67 5.85 -1.22 1.25 115.31 120.82 1xhu h LEU 86 Ca 0.75 0.06 0.17 0.00 0.84 0.00 0.00 57.88 59.70 1xhu h LEU 86 Cb 2.12 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 43.37 1xhu h LEU 86 CO -0.46 -0.61 0.60 0.15 -0.34 0.00 0.00 178.44 177.79 1xhu h PHE 87 N -0.96 0.88 0.06 1.25 3.57 0.27 0.41 116.94 122.42 1xhu h PHE 87 Ca -0.08 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.18 1xhu h PHE 87 Cb 0.78 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1xhu h PHE 87 CO -0.08 0.27 -1.30 -0.07 -2.23 0.00 0.00 178.31 174.89 1xhu h LEU 88 N 0.69 0.21 0.00 0.59 3.38 -0.63 -3.42 115.31 116.13 1xhu h LEU 88 Ca 0.50 -0.26 -0.30 0.00 0.09 0.00 0.00 57.88 57.91 1xhu h LEU 88 Cb 0.85 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1xhu h LEU 88 CO -0.26 1.21 -2.04 0.18 0.09 0.00 0.00 178.44 177.63 1xhu n LEU 89 N -3.38 2.06 -3.93 1.67 4.77 0.43 -4.29 117.00 114.33 1xhu n LEU 89 Ca -0.09 0.09 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1xhu n LEU 89 Cb 1.00 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1xhu n LEU 89 CO 0.49 0.57 -1.51 -1.54 -1.33 0.00 0.00 177.39 174.08 1xhu n SER 90 N -3.48 -5.23 -4.89 -1.43 3.41 0.14 -4.95 113.62 97.19 1xhu n SER 90 Ca -0.35 0.13 -0.28 0.00 -0.26 0.00 0.00 58.87 58.12 1xhu n SER 90 Cb 0.80 -0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 1xhu n SER 90 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xhu s ARG 91 N -1.96 2.24 0.85 4.33 6.06 -1.26 -4.98 118.95 124.23 1xhu s ARG 91 Ca 0.38 -2.11 -0.11 0.00 -2.50 0.00 0.00 55.73 51.39 1xhu s ARG 91 Cb -0.11 -1.99 0.11 0.00 0.06 0.00 0.00 34.95 33.02 1xhu s ARG 91 CO 0.77 -0.61 1.13 0.20 -2.50 0.00 0.00 175.30 174.30 1xhu s GLY 92 N -4.23 1.75 0.02 8.12 0.00 -1.26 -4.72 107.32 107.00 1xhu s GLY 92 Ca 0.28 0.52 -0.11 0.00 0.00 0.00 0.00 44.72 45.41 1xhu s GLY 92 CO 0.17 0.91 1.17 0.07 0.00 0.00 0.00 173.10 175.43 1xhu h LYS 93 N -1.50 -0.32 -0.07 2.90 2.10 -1.99 0.56 116.57 118.25 1xhu h LYS 93 Ca -0.44 0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.26 1xhu h LYS 93 Cb 1.26 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1xhu h LYS 93 CO 0.45 -0.21 0.23 0.00 -2.00 0.00 0.00 179.45 177.91 1xhu h ALA 94 N -1.56 1.41 0.07 0.07 0.00 -1.99 0.32 119.26 117.58 1xhu h ALA 94 Ca -0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1xhu h ALA 94 Cb 0.28 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xhu h ALA 94 CO -0.00 -0.26 -1.10 0.00 0.00 0.00 0.00 179.25 177.89 1xhu h ALA 95 N 1.62 0.22 -0.04 0.00 0.00 -1.61 -2.79 119.26 116.66 1xhu h ALA 95 Ca 0.03 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 54.03 1xhu h ALA 95 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xhu h ALA 95 CO -0.00 0.88 -0.43 1.15 0.00 0.00 0.00 179.25 180.85 1xhu h THR 96 N 0.15 1.43 0.10 0.00 2.02 0.30 -3.33 112.91 113.59 1xhu h THR 96 Ca -0.11 -1.88 0.01 0.00 0.77 0.00 0.00 66.41 65.20 1xhu h THR 96 Cb 1.78 2.45 -0.04 0.00 -1.74 0.00 0.00 68.15 70.59 1xhu h THR 96 CO 0.19 0.54 -0.49 -0.08 0.37 0.00 0.00 175.52 176.05 1xhu h GLU 97 N -0.14 -0.67 -1.94 6.66 4.57 -0.58 -2.80 114.58 119.68 1xhu h GLU 97 Ca -0.04 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xhu h GLU 97 Cb 1.11 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1xhu h GLU 97 CO 0.09 -0.45 0.00 0.09 -1.18 0.00 0.00 179.01 177.56 1xhu n ASN 98 N -5.25 4.72 -4.87 1.04 5.03 -1.05 -4.45 115.26 110.43 1xhu n ASN 98 Ca -0.08 -2.25 -0.37 0.00 0.87 0.00 0.00 54.58 52.75 1xhu n ASN 98 Cb 0.38 -0.99 -0.06 0.00 -1.02 0.00 0.00 39.78 38.09 1xhu n ASN 98 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1xhu s TRP 99 N 0.18 3.58 -0.19 3.10 -0.00 -1.06 -4.90 118.94 119.65 1xhu s TRP 99 Ca 0.00 0.51 -0.33 0.00 -0.00 0.00 0.00 56.10 56.28 1xhu s TRP 99 Cb 0.00 -1.94 0.14 0.00 -0.00 0.00 0.00 33.47 31.67 1xhu s TRP 99 CO 0.00 0.72 1.19 -1.54 -0.00 0.00 0.00 176.95 177.32 1xhu s SER 100 N -0.99 -0.16 0.57 5.86 1.04 -0.89 -4.98 113.70 114.14 1xhu s SER 100 Ca 0.15 0.06 0.31 0.00 0.48 0.00 0.00 55.95 56.94 1xhu s SER 100 Cb -0.12 0.16 1.43 0.00 0.10 0.00 0.00 66.02 67.59 1xhu s SER 100 CO 0.04 -0.24 1.81 0.16 0.98 0.00 0.00 173.24 175.99 1xhu h ILE 101 N 2.08 0.36 -0.00 -1.02 -2.65 -1.98 1.39 117.51 115.68 1xhu h ILE 101 Ca -0.11 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.78 1xhu h ILE 101 Cb 1.17 0.49 0.00 0.00 -2.05 0.00 0.00 36.82 36.44 1xhu h ILE 101 CO 0.24 0.00 -0.11 1.21 0.03 0.00 0.00 178.15 179.52 1xhu n GLU 102 N -3.83 0.48 -3.08 0.16 2.13 -1.26 -4.38 120.64 110.85 1xhu n GLU 102 Ca 0.15 -0.14 -0.08 0.00 0.66 0.00 0.00 57.16 57.76 1xhu n GLU 102 Cb 0.93 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 31.12 1xhu n GLU 102 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1xhu s ASN 103 N -2.61 -0.65 0.65 4.31 2.47 0.47 -5.16 114.94 114.42 1xhu s ASN 103 Ca 0.25 -1.58 -0.05 0.00 0.42 0.00 0.00 52.86 51.90 1xhu s ASN 103 Cb 0.20 1.40 0.04 0.00 -1.45 0.00 0.00 41.25 41.44 1xhu s ASN 103 CO 0.50 -0.14 0.95 -0.76 -3.72 0.00 0.00 177.10 173.93 1xhu s LEU 104 N 1.17 2.99 0.41 3.21 1.43 -1.03 -2.09 118.68 124.76 1xhu s LEU 104 Ca 0.24 0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 53.56 1xhu s LEU 104 Cb -0.04 -3.19 -0.09 0.00 0.03 0.00 0.00 46.19 42.91 1xhu s LEU 104 CO -0.07 -1.39 1.09 -0.36 0.23 0.00 0.00 176.35 175.85 1xhu s PHE 105 N -3.11 3.18 0.00 0.29 2.99 -1.26 -4.99 117.98 115.07 1xhu s PHE 105 Ca 0.58 1.61 0.00 0.00 0.00 0.00 0.00 56.93 59.12 1xhu s PHE 105 Cb -0.11 -3.22 0.00 0.00 0.00 0.00 0.00 43.02 39.69 1xhu s PHE 105 CO 0.44 -0.89 0.00 -1.91 -0.00 0.00 0.00 175.22 172.86 1xhu n GLU 106 N -0.07 1.96 -2.39 0.44 2.13 -1.26 -4.82 120.64 116.62 1xhu n GLU 106 Ca 0.05 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.44 1xhu n GLU 106 Cb 0.49 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.17 1xhu n GLU 106 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1xhu s GLU 107 N -1.17 4.16 -0.02 5.31 2.12 -1.26 -4.72 118.70 123.13 1xhu s GLU 107 Ca 0.00 1.61 -0.00 0.00 0.36 0.00 0.00 54.97 56.94 1xhu s GLU 107 Cb 0.00 -3.80 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1xhu s GLU 107 CO 0.00 -0.80 0.06 0.21 -0.54 0.00 0.00 175.26 174.18 1xhu s LYS 108 N 3.68 3.01 0.45 4.30 2.47 -1.26 -5.02 119.74 127.38 1xhu s LYS 108 Ca 0.56 -0.49 0.20 0.00 -1.56 0.00 0.00 55.97 54.69 1xhu s LYS 108 Cb -0.21 -2.83 1.09 0.00 -1.46 0.00 0.00 37.83 34.42 1xhu s LYS 108 CO 0.17 0.65 1.96 0.37 0.16 0.00 0.00 175.35 178.66 1xhu h GLN 109 N 4.31 0.00 -0.53 4.03 4.15 -2.04 -3.13 115.11 121.89 1xhu h GLN 109 Ca -0.50 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 58.67 1xhu h GLN 109 Cb 1.18 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.72 1xhu h GLN 109 CO 0.60 0.22 0.14 0.27 -1.93 0.00 0.00 178.83 178.13 1xhu n ASN 110 N -3.89 3.08 -4.72 -0.69 6.94 -1.26 -4.99 115.26 109.73 1xhu n ASN 110 Ca -0.02 -3.63 -0.42 0.00 -0.02 0.00 0.00 54.58 50.49 1xhu n ASN 110 Cb 0.31 -0.69 -0.03 0.00 -2.36 0.00 0.00 39.78 37.01 1xhu n ASN 110 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1xhu s ASP 111 N -2.07 6.51 0.24 0.53 1.01 -1.19 -4.86 116.67 116.85 1xhu s ASP 111 Ca 0.48 2.69 -0.12 0.00 0.71 0.00 0.00 52.55 56.31 1xhu s ASP 111 Cb 0.42 -2.59 0.32 0.00 1.01 0.00 0.00 42.92 42.08 1xhu s ASP 111 CO 0.04 -0.88 1.59 0.74 0.21 0.00 0.00 175.17 176.87 1xhu h THR 112 N 4.04 0.16 -2.30 -1.27 2.02 -1.93 -3.43 112.91 110.20 1xhu h THR 112 Ca -0.43 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.18 1xhu h THR 112 Cb 1.20 0.16 -0.11 0.00 -1.74 0.00 0.00 68.15 67.67 1xhu h THR 112 CO 0.93 0.00 -0.67 0.00 0.37 0.00 0.00 175.52 176.15 1xhu s ALA 113 N -6.19 3.07 -0.12 6.16 0.00 -1.26 -4.98 121.76 118.44 1xhu s ALA 113 Ca -0.15 -1.66 -0.07 0.00 0.00 0.00 0.00 51.96 50.08 1xhu s ALA 113 Cb 0.22 -0.69 -0.26 0.00 0.00 0.00 0.00 23.12 22.39 1xhu s ALA 113 CO 0.75 0.29 0.36 -0.25 0.00 0.00 0.00 175.76 176.91 1xhu n ASP 114 N -0.74 2.12 -3.90 0.00 10.43 -0.80 -4.47 116.55 119.20 1xhu n ASP 114 Ca -0.07 0.22 -0.11 0.00 2.57 0.00 0.00 54.79 57.40 1xhu n ASP 114 Cb 0.59 -0.87 -0.13 0.00 1.84 0.00 0.00 41.12 42.54 1xhu n ASP 114 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1xhu s ILE 115 N -2.55 0.04 -0.12 0.53 1.01 -0.35 -4.37 121.20 115.38 1xhu s ILE 115 Ca -0.23 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1xhu s ILE 115 Cb 0.07 -0.08 -0.00 0.00 0.01 0.00 0.00 42.46 42.46 1xhu s ILE 115 CO 0.76 -0.11 -0.20 -0.76 0.00 0.00 0.00 174.94 174.63 1xhu s LEU 116 N -0.34 2.26 -0.65 2.97 1.43 -0.52 -0.52 118.68 123.32 1xhu s LEU 116 Ca -0.04 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1xhu s LEU 116 Cb -0.02 -1.47 0.17 0.00 0.03 0.00 0.00 46.19 44.89 1xhu s LEU 116 CO -0.00 0.14 0.48 0.18 0.23 0.00 0.00 176.35 177.37 1xhu n LEU 117 N 3.68 2.38 -4.80 1.79 4.77 -1.23 0.63 117.00 124.23 1xhu n LEU 117 Ca -0.19 -5.06 -0.35 0.00 -0.03 0.00 0.00 56.01 50.38 1xhu n LEU 117 Cb 0.53 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1xhu n LEU 117 CO 0.28 1.79 0.64 -0.69 -1.33 0.00 0.00 177.39 178.08 1xhu s VAL 118 N -1.22 4.32 -0.30 4.08 1.01 -0.92 -3.94 120.40 123.43 1xhu s VAL 118 Ca 0.27 1.62 -0.14 0.00 0.00 0.00 0.00 61.98 63.72 1xhu s VAL 118 Cb -0.02 -3.79 0.15 0.00 0.00 0.00 0.00 36.38 32.72 1xhu s VAL 118 CO -0.17 -0.10 0.92 -0.75 0.00 0.00 0.00 175.10 175.00 1xhu s LYS 119 N -2.64 0.38 -1.19 2.72 2.47 -0.72 -4.45 119.74 116.31 1xhu s LYS 119 Ca 0.56 0.85 -0.09 0.00 -1.56 0.00 0.00 55.97 55.73 1xhu s LYS 119 Cb -0.13 0.42 -0.02 0.00 -1.46 0.00 0.00 37.83 36.63 1xhu s LYS 119 CO 0.18 -0.11 0.78 -0.25 0.16 0.00 0.00 175.35 176.11 1xhu n ASP 120 N 4.74 -3.86 0.00 1.43 8.00 -1.26 -1.68 116.55 123.91 1xhu n ASP 120 Ca -0.12 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1xhu n ASP 120 Cb 0.53 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.57 1xhu n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xhu n GLN 121 N -4.01 0.00 -3.43 -1.24 10.64 -1.26 -4.92 117.38 113.16 1xhu n GLN 121 Ca -0.17 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.62 1xhu n GLN 121 Cb 0.63 -3.70 -0.07 0.00 -0.86 0.00 0.00 30.24 26.25 1xhu n GLN 121 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1xhu s PHE 122 N -1.29 3.42 -0.15 2.61 5.36 -0.68 -4.84 117.98 122.42 1xhu s PHE 122 Ca 0.00 0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 56.58 1xhu s PHE 122 Cb 0.00 -2.47 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 1xhu s PHE 122 CO 0.00 0.09 -0.07 0.71 -1.46 0.00 0.00 175.22 174.49 1xhu s TYR 123 N 0.96 2.95 -0.53 10.12 1.51 0.58 -1.76 117.35 131.18 1xhu s TYR 123 Ca 0.19 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1xhu s TYR 123 Cb -0.14 -1.92 0.14 0.00 -0.11 0.00 0.00 41.96 39.92 1xhu s TYR 123 CO 0.07 -0.10 0.31 -2.00 -1.11 0.00 0.00 175.55 172.72 1xhu s GLU 124 N 0.37 2.20 -0.60 -0.62 2.12 -1.25 0.22 118.70 121.13 1xhu s GLU 124 Ca -0.06 -2.37 -0.27 0.00 0.36 0.00 0.00 54.97 52.63 1xhu s GLU 124 Cb -0.15 -3.54 -0.00 0.00 0.26 0.00 0.00 34.13 30.69 1xhu s GLU 124 CO 0.04 -1.12 1.66 -0.51 -0.54 0.00 0.00 175.26 174.79 1xhu s LEU 125 N 0.18 3.30 0.09 2.70 1.02 0.91 -3.47 118.68 123.41 1xhu s LEU 125 Ca 0.15 0.25 -0.16 0.00 0.02 0.00 0.00 54.13 54.39 1xhu s LEU 125 Cb -0.22 -2.72 -0.07 0.00 0.02 0.00 0.00 46.19 43.21 1xhu s LEU 125 CO -0.03 -2.09 0.52 -0.22 0.02 0.00 0.00 176.35 174.55 1xhu s LEU 126 N 7.67 4.44 -0.04 1.79 2.96 0.33 -2.51 118.68 133.32 1xhu s LEU 126 Ca 0.59 1.11 0.04 0.00 -0.22 0.00 0.00 54.13 55.65 1xhu s LEU 126 Cb -0.12 -2.97 -0.00 0.00 0.50 0.00 0.00 46.19 43.59 1xhu s LEU 126 CO 0.21 0.22 -0.14 -0.62 -1.32 0.00 0.00 176.35 174.70 1xhu s ASP 127 N -1.36 1.81 -0.14 3.68 3.68 -1.02 -1.21 116.67 122.10 1xhu s ASP 127 Ca 0.31 -0.29 -0.07 0.00 2.13 0.00 0.00 52.55 54.64 1xhu s ASP 127 Cb -0.17 -0.48 -0.04 0.00 -1.45 0.00 0.00 42.92 40.78 1xhu s ASP 127 CO 0.18 0.12 0.09 -0.69 0.13 0.00 0.00 175.17 175.00 1xhu s VAL 128 N 0.08 5.04 -0.16 1.11 1.01 -1.26 -0.26 120.40 125.95 1xhu s VAL 128 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1xhu s VAL 128 Cb -0.10 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.09 1xhu s VAL 128 CO 0.01 0.54 -0.09 -0.54 0.00 0.00 0.00 175.10 175.02 1xhu s LYS 129 N -0.38 1.84 0.01 2.72 -0.14 0.86 -4.93 119.74 119.71 1xhu s LYS 129 Ca 0.10 -0.58 -0.05 0.00 -1.36 0.00 0.00 55.97 54.08 1xhu s LYS 129 Cb -0.12 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 33.90 1xhu s LYS 129 CO 0.02 -0.36 0.24 0.95 -0.76 0.00 0.00 175.35 175.44 1xhu s THR 130 N 1.54 5.35 -0.02 2.17 -4.23 -1.26 0.44 115.64 119.63 1xhu s THR 130 Ca 0.02 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 1xhu s THR 130 Cb -0.14 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1xhu s THR 130 CO -0.09 0.32 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.63 1xhu s ARG 131 N -1.92 0.81 -0.88 3.99 3.52 -0.93 -4.92 118.95 118.62 1xhu s ARG 131 Ca 0.29 -0.28 -0.21 0.00 -0.13 0.00 0.00 55.73 55.40 1xhu s ARG 131 Cb -0.13 -0.77 0.09 0.00 -1.56 0.00 0.00 34.95 32.58 1xhu s ARG 131 CO 0.18 0.12 1.19 1.21 -0.81 0.00 0.00 175.30 177.19 1xhu s ASN 132 N 0.10 6.47 0.54 -2.12 2.47 -1.26 -0.96 114.94 120.18 1xhu s ASN 132 Ca -0.01 -1.57 0.36 0.00 0.42 0.00 0.00 52.86 52.06 1xhu s ASN 132 Cb -0.07 -2.46 1.92 0.00 -1.45 0.00 0.00 41.25 39.19 1xhu s ASN 132 CO 0.00 -1.31 2.11 -0.29 -3.72 0.00 0.00 177.10 173.89 1xhu h ILE 133 N 6.13 0.00 0.00 -5.21 6.09 -1.54 -2.62 117.51 120.36 1xhu h ILE 133 Ca 0.05 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1xhu h ILE 133 Cb 1.03 0.91 0.00 0.00 0.47 0.00 0.00 36.82 39.23 1xhu h ILE 133 CO 1.22 0.00 0.00 -1.20 -3.07 0.00 0.00 178.15 175.10 1xhu n SER 134 N -2.82 0.00 -4.06 2.19 7.64 -1.26 -4.73 113.62 110.58 1xhu n SER 134 Ca -0.02 -0.11 -0.10 0.00 1.01 0.00 0.00 58.87 59.65 1xhu n SER 134 Cb 0.09 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.16 1xhu n SER 134 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1xhu s LYS 135 N -2.13 1.38 -0.99 1.43 -2.85 -0.99 -5.08 119.74 110.52 1xhu s LYS 135 Ca 0.09 -1.37 -0.04 0.00 -1.00 0.00 0.00 55.97 53.65 1xhu s LYS 135 Cb 0.04 0.39 0.26 0.00 -2.06 0.00 0.00 37.83 36.46 1xhu s LYS 135 CO 0.08 -0.53 1.01 0.45 0.10 0.00 0.00 175.35 176.46 1xhu n SER 136 N -0.32 4.98 -4.91 0.03 2.88 -1.26 -4.94 113.62 110.08 1xhu n SER 136 Ca -0.01 -3.17 -0.27 0.00 -1.33 0.00 0.00 58.87 54.09 1xhu n SER 136 Cb 0.63 -1.17 0.08 0.00 -0.75 0.00 0.00 64.21 63.00 1xhu n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xhu s ALA 137 N -1.66 2.88 0.63 -1.46 0.00 -1.26 -5.07 121.76 115.82 1xhu s ALA 137 Ca 0.30 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 1xhu s ALA 137 Cb -0.05 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1xhu s ALA 137 CO -0.07 -1.51 1.02 -1.14 0.00 0.00 0.00 175.76 174.06 1xhu s GLN 138 N -5.43 3.41 0.41 0.00 0.74 -1.26 -5.00 119.66 112.53 1xhu s GLN 138 Ca 0.61 0.62 -0.27 0.00 0.05 0.00 0.00 55.36 56.37 1xhu s GLN 138 Cb -0.11 -2.10 -0.10 0.00 1.10 0.00 0.00 33.01 31.81 1xhu s GLN 138 CO 0.47 -0.65 1.45 0.00 -0.55 0.00 0.00 175.29 176.02 1xhu n ALA 139 N -2.76 2.18 -1.97 1.58 0.00 -1.26 -4.98 120.51 113.29 1xhu n ALA 139 Ca 0.06 0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 1xhu n ALA 139 Cb 0.55 -2.40 0.03 0.00 0.00 0.00 0.00 19.45 17.63 1xhu n ALA 139 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xhu s PRO 140 N -2.24 3.09 0.01 0.00 0.04 -1.26 -4.68 135.00 129.96 1xhu s PRO 140 Ca 0.57 0.38 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 1xhu s PRO 140 Cb -0.47 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 1xhu s PRO 140 CO 0.61 -0.77 1.57 -0.80 0.04 0.00 0.00 177.00 177.65 1xhu s ASN 141 N -4.28 6.70 -0.20 6.66 0.01 -1.26 -3.17 114.94 119.39 1xhu s ASN 141 Ca 0.55 2.29 -0.18 0.00 -0.71 0.00 0.00 52.86 54.81 1xhu s ASN 141 Cb -0.11 -2.55 -0.19 0.00 0.41 0.00 0.00 41.25 38.80 1xhu s ASN 141 CO 0.50 -0.84 0.18 0.00 -1.51 0.00 0.00 177.10 175.42 1xhu n ILE 142 N 4.91 1.57 -3.62 0.60 0.13 0.30 -4.98 119.36 118.28 1xhu n ILE 142 Ca 0.15 -0.16 -0.05 0.00 -1.10 0.00 0.00 62.75 61.59 1xhu n ILE 142 Cb 0.42 -1.97 -0.05 0.00 -0.84 0.00 0.00 39.64 37.20 1xhu n ILE 142 CO 0.00 0.00 0.00 -0.51 2.80 0.00 0.00 176.55 178.84 1xhu s ILE 143 N -2.41 0.00 0.35 9.51 2.07 -1.20 -4.94 121.20 124.59 1xhu s ILE 143 Ca -0.29 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.68 1xhu s ILE 143 Cb 0.07 -1.00 -0.12 0.00 0.13 0.00 0.00 42.46 41.54 1xhu s ILE 143 CO 0.61 0.00 1.15 -0.24 -1.91 0.00 0.00 174.94 174.55 1xhu n SER 144 N 0.77 2.02 0.07 4.50 2.88 -1.26 0.13 113.62 122.71 1xhu n SER 144 Ca -0.05 1.15 -0.13 0.00 -1.33 0.00 0.00 58.87 58.52 1xhu n SER 144 Cb 0.58 -1.41 -0.04 0.00 -0.75 0.00 0.00 64.21 62.60 1xhu n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xhu h ALA 145 N 2.12 0.39 -0.01 -1.46 0.00 0.23 -2.35 119.26 118.18 1xhu h ALA 145 Ca -0.44 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 53.76 1xhu h ALA 145 Cb 1.31 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xhu h ALA 145 CO 0.60 0.82 -0.00 -0.92 0.00 0.00 0.00 179.25 179.75 1xhu h TYR 146 N 0.23 0.03 -0.99 0.00 3.20 -1.90 0.14 116.97 117.67 1xhu h TYR 146 Ca -0.07 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1xhu h TYR 146 Cb 1.55 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.76 1xhu h TYR 146 CO 0.06 0.40 0.65 -0.22 -1.64 0.00 0.00 178.16 177.41 1xhu h LYS 147 N -0.35 1.24 -0.68 1.82 3.64 -1.93 0.72 116.57 121.03 1xhu h LYS 147 Ca 0.00 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1xhu h LYS 147 Cb 0.39 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1xhu h LYS 147 CO 0.00 0.82 0.15 1.25 -2.27 0.00 0.00 179.45 179.40 1xhu h LEU 148 N 1.28 1.03 0.31 5.20 6.46 -1.20 -0.94 115.31 127.44 1xhu h LEU 148 Ca 0.39 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1xhu h LEU 148 Cb -0.04 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.63 1xhu h LEU 148 CO -0.11 1.00 -0.15 0.00 -0.62 0.00 0.00 178.44 178.55 1xhu h ALA 149 N 1.13 -0.41 -0.21 1.25 0.00 0.29 0.61 119.26 121.91 1xhu h ALA 149 Ca 0.21 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1xhu h ALA 149 Cb 0.38 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xhu h ALA 149 CO 0.00 -0.66 0.15 1.96 0.00 0.00 0.00 179.25 180.70 1xhu h GLN 150 N -0.55 0.03 -0.01 0.00 4.20 -0.72 0.23 115.11 118.29 1xhu h GLN 150 Ca -0.04 -0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.41 1xhu h GLN 150 Cb 0.41 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.20 1xhu h GLN 150 CO 0.07 0.02 -1.01 1.15 -0.67 0.00 0.00 178.83 178.39 1xhu h THR 151 N 0.03 1.28 -0.27 -0.54 2.02 -0.82 -2.22 112.91 112.39 1xhu h THR 151 Ca 0.10 -2.22 -0.07 0.00 0.77 0.00 0.00 66.41 64.99 1xhu h THR 151 Cb 0.37 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 1xhu h THR 151 CO -0.00 0.69 -0.13 0.00 0.37 0.00 0.00 175.52 176.44 1xhu h ALA 153 N 1.45 0.83 -0.19 0.00 0.00 -0.55 -3.09 119.26 117.71 1xhu h ALA 153 Ca 0.08 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 1xhu h ALA 153 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xhu h ALA 153 CO 0.03 0.65 -0.66 0.87 0.00 0.00 0.00 179.25 180.14 1xhu h LYS 154 N 0.43 0.72 -0.97 0.00 1.57 -0.81 -2.39 116.57 115.11 1xhu h LYS 154 Ca 0.03 -0.52 0.13 0.00 -1.87 0.00 0.00 60.65 58.42 1xhu h LYS 154 Cb 0.94 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.26 1xhu h LYS 154 CO 0.08 1.14 0.61 0.52 -0.57 0.00 0.00 179.45 181.23 1xhu h MET 155 N 0.52 0.88 0.00 3.15 2.86 -1.21 -1.46 114.93 119.68 1xhu h MET 155 Ca -0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1xhu h MET 155 Cb 1.26 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1xhu h MET 155 CO 0.13 0.58 0.00 -0.89 1.06 0.00 0.00 176.91 177.80 1xhu n ILE 156 N -4.61 0.00 -0.28 -1.22 2.08 -1.11 -0.17 119.36 114.06 1xhu n ILE 156 Ca 0.19 0.98 0.27 0.00 0.56 0.00 0.00 62.75 64.75 1xhu n ILE 156 Cb 0.39 -1.85 0.49 0.00 -0.75 0.00 0.00 39.64 37.92 1xhu n ILE 156 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1xhu n ASP 157 N -1.15 0.27 -0.75 4.38 9.92 -0.92 0.12 116.55 128.41 1xhu n ASP 157 Ca 0.00 1.31 0.09 0.00 -0.53 0.00 0.00 54.79 55.67 1xhu n ASP 157 Cb 0.00 -0.64 0.08 0.00 -0.64 0.00 0.00 41.12 39.92 1xhu n ASP 157 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1xhu n ASN 158 N -4.75 2.57 -2.01 -2.24 3.02 -0.56 -4.99 115.26 106.29 1xhu n ASN 158 Ca 0.31 -1.78 -0.20 0.00 -0.03 0.00 0.00 54.58 52.88 1xhu n ASN 158 Cb 1.08 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.21 1xhu n ASN 158 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xhu n LYS 159 N 1.06 -1.51 -2.84 3.52 4.76 0.32 -4.93 118.16 118.53 1xhu n LYS 159 Ca 0.11 1.04 -0.44 0.00 -2.87 0.00 0.00 58.31 56.15 1xhu n LYS 159 Cb 0.47 -5.55 0.00 0.00 -1.84 0.00 0.00 35.03 28.10 1xhu n LYS 159 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1xhu n GLU 160 N -2.74 3.33 -0.95 1.97 1.02 0.17 -4.75 120.64 118.69 1xhu n GLU 160 Ca -0.22 -3.71 -0.09 0.00 -0.02 0.00 0.00 57.16 53.12 1xhu n GLU 160 Cb 0.67 -3.14 0.23 0.00 -0.02 0.00 0.00 31.44 29.17 1xhu n GLU 160 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1xhu n PHE 161 N 6.22 2.01 -2.59 -0.32 3.72 -1.26 -4.50 117.46 120.74 1xhu n PHE 161 Ca 0.40 -1.51 -0.02 0.00 -0.05 0.00 0.00 57.45 56.27 1xhu n PHE 161 Cb 0.43 -0.66 0.02 0.00 -0.94 0.00 0.00 39.48 38.33 1xhu n PHE 161 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xhu n ASP 162 N -0.84 -0.70 -0.07 4.37 4.64 -1.26 -4.77 116.55 117.92 1xhu n ASP 162 Ca 0.42 -1.47 -0.13 0.00 -1.38 0.00 0.00 54.79 52.24 1xhu n ASP 162 Cb 1.30 0.50 -0.06 0.00 -1.04 0.00 0.00 41.12 41.82 1xhu n ASP 162 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 1xhu n LEU 163 N -0.43 2.11 -4.54 -2.67 7.94 -1.26 -4.94 117.00 113.21 1xhu n LEU 163 Ca -0.13 0.04 -0.26 0.00 -1.11 0.00 0.00 56.01 54.56 1xhu n LEU 163 Cb 0.62 -0.48 -0.08 0.00 0.53 0.00 0.00 43.42 44.01 1xhu n LEU 163 CO -0.07 0.55 -0.21 0.72 -1.11 0.00 0.00 177.39 177.27 1xhu s PHE 164 N -2.28 1.82 0.03 1.96 -0.00 -1.25 -0.31 117.98 117.96 1xhu s PHE 164 Ca -0.20 -1.20 -0.03 0.00 -0.00 0.00 0.00 56.93 55.50 1xhu s PHE 164 Cb 0.06 -1.24 -0.02 0.00 -0.00 0.00 0.00 43.02 41.83 1xhu s PHE 164 CO 0.30 -0.18 0.04 -0.51 -0.00 0.00 0.00 175.22 174.87 1xhu s ASP 165 N -3.63 0.24 -0.38 1.98 -0.00 0.59 -4.87 116.67 110.60 1xhu s ASP 165 Ca 0.23 -0.58 0.01 0.00 -0.00 0.00 0.00 52.55 52.21 1xhu s ASP 165 Cb 0.03 0.18 0.12 0.00 -0.00 0.00 0.00 42.92 43.25 1xhu s ASP 165 CO 0.13 -0.45 0.16 -0.63 -0.00 0.00 0.00 175.17 174.38 1xhu s ILE 166 N -2.40 1.45 0.39 0.77 1.01 -1.26 -0.06 121.20 121.09 1xhu s ILE 166 Ca -0.07 -2.15 0.08 0.00 0.00 0.00 0.00 60.65 58.50 1xhu s ILE 166 Cb -0.03 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 1xhu s ILE 166 CO -0.04 -0.76 0.41 0.20 0.00 0.00 0.00 174.94 174.75 1xhu s ASN 167 N 0.86 5.32 -0.01 3.58 0.01 -1.04 -0.60 114.94 123.07 1xhu s ASN 167 Ca 0.14 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 1xhu s ASN 167 Cb -0.21 -0.74 0.00 0.00 0.41 0.00 0.00 41.25 40.71 1xhu s ASN 167 CO -0.10 -0.59 -0.02 -0.31 -1.51 0.00 0.00 177.10 174.57 1xhu s TYR 168 N -2.38 0.19 -0.23 2.20 2.02 0.10 -2.44 117.35 116.82 1xhu s TYR 168 Ca 0.48 -0.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.17 1xhu s TYR 168 Cb -0.06 -0.15 0.04 0.00 -0.40 0.00 0.00 41.96 41.39 1xhu s TYR 168 CO 0.29 -0.02 -0.14 -1.17 -1.57 0.00 0.00 175.55 172.94 1xhu s LEU 169 N 0.10 2.86 -0.06 -1.29 2.96 0.64 -1.51 118.68 122.38 1xhu s LEU 169 Ca -0.01 -1.09 -0.17 0.00 -0.22 0.00 0.00 54.13 52.64 1xhu s LEU 169 Cb -0.03 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 1xhu s LEU 169 CO -0.00 -0.12 0.46 -0.70 -1.32 0.00 0.00 176.35 174.67 1xhu s GLU 170 N 1.20 4.20 -0.24 1.98 2.12 0.10 -0.10 118.70 127.96 1xhu s GLU 170 Ca -0.03 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.77 1xhu s GLU 170 Cb -0.17 -3.35 0.07 0.00 0.26 0.00 0.00 34.13 30.93 1xhu s GLU 170 CO -0.08 0.37 -0.02 0.54 -0.54 0.00 0.00 175.26 175.53 1xhu s VAL 171 N -0.08 1.42 0.18 3.70 0.11 0.17 -1.33 120.40 124.56 1xhu s VAL 171 Ca 0.25 -1.24 -0.19 0.00 -2.93 0.00 0.00 61.98 57.88 1xhu s VAL 171 Cb -0.16 -1.76 -0.08 0.00 -1.53 0.00 0.00 36.38 32.85 1xhu s VAL 171 CO 0.12 -0.20 0.67 -1.81 -3.33 0.00 0.00 175.10 170.55 1xhu s ASP 172 N 1.43 7.02 0.23 3.54 -0.00 -0.90 -2.19 116.67 125.81 1xhu s ASP 172 Ca -0.03 1.33 -0.04 0.00 -0.00 0.00 0.00 52.55 53.82 1xhu s ASP 172 Cb -0.19 -2.39 -0.03 0.00 -0.00 0.00 0.00 42.92 40.32 1xhu s ASP 172 CO -0.08 0.09 0.26 -1.66 -0.00 0.00 0.00 175.17 173.77 1xhu s TRP 173 N -1.44 0.99 -0.02 4.23 1.48 -0.13 -0.90 118.94 123.15 1xhu s TRP 173 Ca 0.40 -1.22 -0.11 0.00 -1.06 0.00 0.00 56.10 54.10 1xhu s TRP 173 Cb -0.17 -0.34 0.01 0.00 -1.16 0.00 0.00 33.47 31.81 1xhu s TRP 173 CO 0.21 -0.78 0.23 -1.83 -4.06 0.00 0.00 176.95 170.72 1xhu s GLU 174 N -3.99 0.56 0.04 3.25 -1.05 -0.73 -1.22 118.70 115.55 1xhu s GLU 174 Ca 0.34 -0.22 -0.30 0.00 -0.15 0.00 0.00 54.97 54.64 1xhu s GLU 174 Cb 0.04 0.24 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 1xhu s GLU 174 CO 0.13 -0.14 1.14 -1.17 0.95 0.00 0.00 175.26 176.16 1xhu s LEU 175 N -1.21 4.37 -0.49 1.83 2.96 -1.26 0.12 118.68 125.00 1xhu s LEU 175 Ca -0.13 1.90 0.04 0.00 -0.22 0.00 0.00 54.13 55.73 1xhu s LEU 175 Cb -0.06 -3.58 0.41 0.00 0.50 0.00 0.00 46.19 43.47 1xhu s LEU 175 CO 0.03 -0.41 1.24 -3.20 -1.32 0.00 0.00 176.35 172.69 1xhu n ASN 176 N 3.98 5.12 0.00 3.68 5.15 -0.36 -4.91 115.26 127.92 1xhu n ASN 176 Ca 0.08 -3.74 0.00 0.00 -0.60 0.00 0.00 54.58 50.32 1xhu n ASN 176 Cb 0.48 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 1xhu n ASN 176 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xhu n GLY 177 N -0.51 0.99 0.21 8.20 0.00 -1.26 -4.47 105.19 108.35 1xhu n GLY 177 Ca 0.41 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1xhu n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xhu n GLU 178 N 0.00 0.54 -3.62 1.61 -0.58 -1.26 -5.03 120.64 112.30 1xhu n GLU 178 Ca 0.00 0.23 -0.21 0.00 -0.42 0.00 0.00 57.16 56.76 1xhu n GLU 178 Cb 0.00 -1.41 -0.01 0.00 -0.57 0.00 0.00 31.44 29.45 1xhu n GLU 178 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1xhu s ASP 179 N -7.25 6.16 0.12 1.62 1.11 -1.26 -2.87 116.67 114.31 1xhu s ASP 179 Ca -0.36 0.08 -0.16 0.00 0.18 0.00 0.00 52.55 52.30 1xhu s ASP 179 Cb 0.13 -1.67 -0.07 0.00 1.07 0.00 0.00 42.92 42.38 1xhu s ASP 179 CO 0.45 -0.28 0.56 -0.76 1.18 0.00 0.00 175.17 176.32 1xhu s LEU 180 N -4.15 4.39 -0.08 1.23 1.43 0.15 -1.22 118.68 120.44 1xhu s LEU 180 Ca 0.40 1.13 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1xhu s LEU 180 Cb -0.09 -3.16 0.02 0.00 0.03 0.00 0.00 46.19 42.99 1xhu s LEU 180 CO 0.32 0.15 -0.08 0.54 0.23 0.00 0.00 176.35 177.52 1xhu s VAL 181 N -1.36 0.87 0.40 -1.59 0.11 0.12 -1.57 120.40 117.38 1xhu s VAL 181 Ca 0.35 -0.27 -0.27 0.00 -2.93 0.00 0.00 61.98 58.87 1xhu s VAL 181 Cb -0.16 -0.87 -0.10 0.00 -1.53 0.00 0.00 36.38 33.72 1xhu s VAL 181 CO 0.19 0.32 1.42 0.00 -3.33 0.00 0.00 175.10 173.69 1xhu n VAL 183 N 0.26 0.00 -3.90 0.00 0.24 -0.07 -2.59 118.33 112.26 1xhu n VAL 183 Ca 0.02 -0.19 -0.01 0.00 -2.04 0.00 0.00 64.34 62.13 1xhu n VAL 183 Cb 0.41 1.44 0.01 0.00 -1.47 0.00 0.00 33.84 34.24 1xhu n VAL 183 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1xhu s SER 184 N -0.11 -0.00 -0.07 -1.34 1.04 -1.19 -5.01 113.70 107.02 1xhu s SER 184 Ca 0.00 -0.49 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 1xhu s SER 184 Cb 0.00 0.37 0.10 0.00 0.10 0.00 0.00 66.02 66.59 1xhu s SER 184 CO 0.00 -0.73 0.86 -0.89 0.98 0.00 0.00 173.24 173.46 1xhu s THR 185 N -2.16 0.00 -0.07 2.02 2.01 -1.26 -2.11 115.64 114.06 1xhu s THR 185 Ca 0.24 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 1xhu s THR 185 Cb -0.02 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1xhu s THR 185 CO 0.03 0.00 0.33 -0.44 -0.69 0.00 0.00 174.62 173.85 1xhu s SER 186 N -1.59 -0.28 -0.07 3.53 0.01 -0.45 -4.99 113.70 109.87 1xhu s SER 186 Ca -0.02 0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.66 1xhu s SER 186 Cb -0.01 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1xhu s SER 186 CO 0.00 -0.29 -0.18 0.12 0.41 0.00 0.00 173.24 173.30 1xhu s PHE 187 N -0.59 1.96 -0.06 2.43 5.36 -1.26 0.03 117.98 125.85 1xhu s PHE 187 Ca -0.07 -0.73 -0.08 0.00 -0.96 0.00 0.00 56.93 55.10 1xhu s PHE 187 Cb -0.04 -1.35 0.02 0.00 -0.34 0.00 0.00 43.02 41.31 1xhu s PHE 187 CO 0.02 -0.31 0.20 0.00 -1.46 0.00 0.00 175.22 173.68 1xhu s ALA 188 N 0.39 -0.49 -0.07 11.12 0.00 -0.57 -4.99 121.76 127.15 1xhu s ALA 188 Ca -0.14 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 1xhu s ALA 188 Cb -0.16 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 1xhu s ALA 188 CO 0.05 -0.13 0.29 -1.21 0.00 0.00 0.00 175.76 174.76 1xhu s GLU 189 N -0.31 3.75 0.03 0.00 2.02 -1.26 0.03 118.70 122.96 1xhu s GLU 189 Ca -0.04 0.16 -0.19 0.00 0.02 0.00 0.00 54.97 54.92 1xhu s GLU 189 Cb -0.03 -3.23 -0.19 0.00 0.10 0.00 0.00 34.13 30.78 1xhu s GLU 189 CO 0.01 0.68 1.20 1.25 0.02 0.00 0.00 175.26 178.42 1xhu h LEU 190 N 5.01 0.57 0.00 1.80 5.85 -1.20 -3.22 115.31 124.12 1xhu h LEU 190 Ca -0.52 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 57.54 1xhu h LEU 190 Cb 1.22 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1xhu h LEU 190 CO 0.61 1.14 0.00 0.49 -0.34 0.00 0.00 178.44 180.35 1xhu n PHE 191 N -4.26 0.00 0.17 1.25 0.99 -1.26 -1.93 117.46 112.42 1xhu n PHE 191 Ca -0.08 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.42 1xhu n PHE 191 Cb 0.60 0.00 0.10 0.00 -1.00 0.00 0.00 39.48 39.18 1xhu n PHE 191 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1xhu n LYS 192 N -0.92 1.68 -3.39 -1.08 4.81 -1.21 -4.92 118.16 113.13 1xhu n LYS 192 Ca 0.11 -1.61 -0.20 0.00 -0.87 0.00 0.00 58.31 55.74 1xhu n LYS 192 Cb 0.05 -1.25 -0.01 0.00 0.02 0.00 0.00 35.03 33.84 1xhu n LYS 192 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1xhu s SER 193 N -0.99 5.19 -0.52 3.14 1.04 -0.81 -2.56 113.70 118.19 1xhu s SER 193 Ca 0.19 -0.71 -0.28 0.00 0.48 0.00 0.00 55.95 55.63 1xhu s SER 193 Cb 0.11 -0.44 0.02 0.00 0.10 0.00 0.00 66.02 65.81 1xhu s SER 193 CO 0.16 -0.78 1.37 -0.70 0.98 0.00 0.00 173.24 174.27 1xhu s GLU 194 N -4.25 3.41 0.27 4.02 2.56 -1.26 -4.72 118.70 118.73 1xhu s GLU 194 Ca 0.50 0.55 0.09 0.00 0.00 0.00 0.00 54.97 56.12 1xhu s GLU 194 Cb -0.05 -4.08 0.50 0.00 2.00 0.00 0.00 34.13 32.50 1xhu s GLU 194 CO 0.30 -1.79 1.13 -0.35 -0.56 0.00 0.00 175.26 173.99 1xhu n PRO 195 N 8.45 0.06 -0.01 4.30 -0.04 -1.26 -0.95 135.00 145.55 1xhu n PRO 195 Ca 0.13 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 64.19 1xhu n PRO 195 Cb 0.49 -2.06 -0.15 0.00 -0.04 0.00 0.00 33.50 31.74 1xhu n PRO 195 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xhu n SER 196 N -1.87 0.61 -0.06 3.54 3.41 -1.26 -4.35 113.62 113.64 1xhu n SER 196 Ca -0.01 -0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.66 1xhu n SER 196 Cb 0.36 1.82 0.38 0.00 -0.26 0.00 0.00 64.21 66.51 1xhu n SER 196 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xhu n GLU 197 N -2.12 0.23 -1.76 4.33 1.02 -0.13 -4.90 120.64 117.31 1xhu n GLU 197 Ca -0.03 -0.11 -0.41 0.00 -0.02 0.00 0.00 57.16 56.58 1xhu n GLU 197 Cb 0.49 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 1xhu n GLU 197 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xhu n LEU 198 N -1.29 4.55 -4.54 -4.62 4.32 -1.21 -4.96 117.00 109.25 1xhu n LEU 198 Ca 0.08 1.20 -0.40 0.00 -0.02 0.00 0.00 56.01 56.87 1xhu n LEU 198 Cb 0.33 -1.60 -0.10 0.00 -1.62 0.00 0.00 43.42 40.43 1xhu n LEU 198 CO 0.31 0.11 -0.08 -0.47 -1.22 0.00 0.00 177.39 176.04 1xhu s TYR 199 N -0.74 3.22 -0.53 -1.77 5.04 -1.26 -5.05 117.35 116.26 1xhu s TYR 199 Ca 0.57 -0.13 -0.23 0.00 -2.44 0.00 0.00 57.07 54.84 1xhu s TYR 199 Cb -0.49 -2.52 0.04 0.00 0.35 0.00 0.00 41.96 39.34 1xhu s TYR 199 CO 0.59 -0.36 0.85 0.42 -1.34 0.00 0.00 175.55 175.71 1xhu s ILE 200 N 1.81 4.53 -1.06 3.14 1.01 -1.26 -2.07 121.20 127.29 1xhu s ILE 200 Ca 0.08 0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.63 1xhu s ILE 200 Cb -0.17 -4.47 0.10 0.00 0.01 0.00 0.00 42.46 37.93 1xhu s ILE 200 CO 0.11 -1.01 1.38 0.21 0.00 0.00 0.00 174.94 175.63 1xhu s ASN 201 N 2.76 6.69 0.48 3.58 3.84 0.56 -4.88 114.94 127.97 1xhu s ASN 201 Ca 0.27 -2.06 0.24 0.00 0.21 0.00 0.00 52.86 51.52 1xhu s ASN 201 Cb -0.14 -2.49 1.28 0.00 -0.55 0.00 0.00 41.25 39.35 1xhu s ASN 201 CO 0.18 -1.18 1.87 -0.50 -2.79 0.00 0.00 177.10 174.67 1xhu h TRP 202 N 8.69 0.28 -0.19 0.43 4.06 -1.88 -0.91 115.95 126.42 1xhu h TRP 202 Ca 0.24 0.01 -0.18 0.00 2.06 0.00 0.00 58.89 61.02 1xhu h TRP 202 Cb 0.97 -0.08 0.01 0.00 -1.00 0.00 0.00 29.16 29.05 1xhu h TRP 202 CO 1.24 0.07 -0.59 0.00 -3.56 0.00 0.00 178.44 175.59 1xhu h ALA 203 N 1.59 0.33 -1.10 1.49 0.00 -1.96 -3.05 119.26 116.57 1xhu h ALA 203 Ca 0.45 -0.53 -0.70 0.00 0.00 0.00 0.00 54.91 54.12 1xhu h ALA 203 Cb 1.43 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 1xhu h ALA 203 CO -0.10 0.58 1.96 0.00 0.00 0.00 0.00 179.25 181.69 1xhu n ALA 204 N -2.57 3.80 -1.54 0.00 0.00 -0.37 -4.43 120.51 115.40 1xhu n ALA 204 Ca -0.06 -4.00 -0.06 0.00 0.00 0.00 0.00 53.44 49.32 1xhu n ALA 204 Cb 0.65 -3.40 -0.02 0.00 0.00 0.00 0.00 19.45 16.68 1xhu n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xhu n ALA 205 N 7.24 -0.32 -2.88 0.00 0.00 -1.26 0.11 120.51 123.40 1xhu n ALA 205 Ca 0.45 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.77 1xhu n ALA 205 Cb 0.44 -0.85 0.03 0.00 0.00 0.00 0.00 19.45 19.07 1xhu n ALA 205 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xhu n MET 206 N -1.76 -4.15 -2.64 0.00 0.00 -1.09 -4.62 117.12 102.86 1xhu n MET 206 Ca -0.07 0.86 -0.32 0.00 0.00 0.00 0.00 57.70 58.18 1xhu n MET 206 Cb 0.30 -5.56 -0.04 0.00 0.00 0.00 0.00 33.22 27.92 1xhu n MET 206 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1xhu s GLN 207 N -5.52 3.92 -0.20 0.03 -1.52 0.29 0.88 119.66 117.54 1xhu s GLN 207 Ca 0.24 0.79 -0.19 0.00 -1.95 0.00 0.00 55.36 54.25 1xhu s GLN 207 Cb -0.11 -2.25 -0.03 0.00 -0.22 0.00 0.00 33.01 30.41 1xhu s GLN 207 CO 0.30 -0.14 0.57 0.42 -0.25 0.00 0.00 175.29 176.19 1xhu s ILE 208 N -2.45 5.06 0.05 1.08 -1.09 0.12 -0.32 121.20 123.65 1xhu s ILE 208 Ca 0.56 1.05 0.06 0.00 -2.23 0.00 0.00 60.65 60.10 1xhu s ILE 208 Cb -0.10 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1xhu s ILE 208 CO 0.29 0.14 -0.13 -1.10 -1.23 0.00 0.00 174.94 172.91 1xhu s GLN 209 N 1.83 2.20 0.00 2.79 -0.21 -0.88 0.11 119.66 125.50 1xhu s GLN 209 Ca 0.26 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.70 1xhu s GLN 209 Cb -0.16 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.55 1xhu s GLN 209 CO 0.10 0.54 0.00 1.97 -2.12 0.00 0.00 175.29 175.78 1xhu n PHE 210 N 1.26 0.00 -2.90 0.91 1.16 -1.19 -4.36 117.46 112.35 1xhu n PHE 210 Ca -0.15 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.01 1xhu n PHE 210 Cb 0.52 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.35 1xhu n PHE 210 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 1xhu s HIS 211 N -1.58 3.32 0.32 2.97 3.76 -1.26 -4.45 115.29 118.36 1xhu s HIS 211 Ca 0.00 1.13 0.06 0.00 -0.15 0.00 0.00 55.06 56.11 1xhu s HIS 211 Cb 0.00 -3.04 0.89 0.00 1.11 0.00 0.00 32.58 31.53 1xhu s HIS 211 CO 0.00 -0.39 1.58 0.28 -0.85 0.00 0.00 174.74 175.36 1xhu h VAL 212 N 5.41 0.05 -0.17 -0.90 2.07 -1.96 0.80 116.25 121.55 1xhu h VAL 212 Ca -0.24 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.32 1xhu h VAL 212 Cb 1.10 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1xhu h VAL 212 CO 0.87 0.01 0.16 0.08 0.02 0.00 0.00 177.57 178.71 1xhu h ARG 213 N 0.03 0.00 0.02 1.57 0.11 -1.91 -2.68 114.38 111.52 1xhu h ARG 213 Ca 0.65 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.47 1xhu h ARG 213 Cb 1.45 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.49 1xhu h ARG 213 CO -0.86 0.00 -1.44 -0.44 0.10 0.00 0.00 179.97 177.33 1xhu h ASP 214 N 0.00 0.06 -3.12 0.08 3.32 0.23 -3.47 116.42 113.52 1xhu h ASP 214 Ca 0.08 -0.09 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1xhu h ASP 214 Cb 0.40 -0.02 0.11 0.00 0.22 0.00 0.00 39.33 40.05 1xhu h ASP 214 CO -0.00 1.07 0.40 -0.11 -1.72 0.00 0.00 179.24 178.88 1xhu n LEU 215 N -3.21 3.12 0.00 1.55 7.94 -1.01 -5.00 117.00 120.39 1xhu n LEU 215 Ca -0.11 1.19 -0.12 0.00 -1.11 0.00 0.00 56.01 55.86 1xhu n LEU 215 Cb 1.01 -1.43 0.07 0.00 0.53 0.00 0.00 43.42 43.60 1xhu n LEU 215 CO 0.46 -0.75 0.33 -0.90 -1.11 0.00 0.00 177.39 175.42 1xhu n ASP 216 N 0.83 0.22 -0.84 1.96 5.68 -1.26 -5.04 116.55 118.10 1xhu n ASP 216 Ca 0.06 -1.30 -0.02 0.00 -0.50 0.00 0.00 54.79 53.03 1xhu n ASP 216 Cb 0.35 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 1xhu n ASP 216 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xhu n GLN 217 N -2.06 0.00 -1.47 0.11 1.13 -1.24 -4.32 117.38 109.53 1xhu n GLN 217 Ca 0.07 -0.80 -0.33 0.00 -1.94 0.00 0.00 57.00 54.00 1xhu n GLN 217 Cb 0.25 0.14 0.07 0.00 0.11 0.00 0.00 30.24 30.81 1xhu n GLN 217 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xhu n GLY 218 N 0.07 5.96 3.64 1.08 0.00 -1.07 -4.82 105.19 110.05 1xhu n GLY 218 Ca -0.11 -2.38 -0.40 0.00 0.00 0.00 0.00 46.02 43.13 1xhu n GLY 218 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xhu s PHE 219 N -3.80 3.32 -0.83 1.61 5.36 -1.06 -4.90 117.98 117.69 1xhu s PHE 219 Ca 0.62 0.88 0.14 0.00 -0.96 0.00 0.00 56.93 57.61 1xhu s PHE 219 Cb 0.49 -2.84 -0.11 0.00 -0.34 0.00 0.00 43.02 40.22 1xhu s PHE 219 CO -0.01 -0.27 0.64 0.27 -1.46 0.00 0.00 175.22 174.38 1xhu n ASN 220 N 5.49 0.87 -2.64 6.13 6.94 -1.26 -4.94 115.26 125.85 1xhu n ASN 220 Ca -0.00 -0.94 -0.07 0.00 -0.02 0.00 0.00 54.58 53.55 1xhu n ASN 220 Cb 0.49 0.86 0.05 0.00 -2.36 0.00 0.00 39.78 38.83 1xhu n ASN 220 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xhu n GLY 221 N 1.26 -2.08 3.93 4.83 0.00 -1.26 -5.07 105.19 106.80 1xhu n GLY 221 Ca 0.03 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 1xhu n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xhu s THR 222 N -1.52 4.54 0.21 2.61 -4.23 -1.26 -4.94 115.64 111.06 1xhu s THR 222 Ca 0.16 -1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 59.45 1xhu s THR 222 Cb -0.01 -3.55 0.15 0.00 1.34 0.00 0.00 72.50 70.43 1xhu s THR 222 CO 0.12 -0.27 1.72 -0.09 -0.54 0.00 0.00 174.62 175.56 1xhu h ARG 223 N 1.17 0.30 -0.57 3.99 9.65 -1.94 0.39 114.38 127.38 1xhu h ARG 223 Ca -0.49 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.43 1xhu h ARG 223 Cb 1.24 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 1xhu h ARG 223 CO 0.58 0.20 0.38 1.49 2.80 0.00 0.00 179.97 185.42 1xhu h GLU 224 N 0.31 0.56 -0.08 0.20 4.81 -1.95 -0.96 114.58 117.47 1xhu h GLU 224 Ca 0.31 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.41 1xhu h GLU 224 Cb 0.43 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1xhu h GLU 224 CO -0.36 0.37 -0.32 0.93 -0.73 0.00 0.00 179.01 178.90 1xhu h GLU 225 N 0.58 0.36 -0.18 1.92 5.08 -0.89 -2.08 114.58 119.37 1xhu h GLU 225 Ca 0.24 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1xhu h GLU 225 Cb 0.23 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1xhu h GLU 225 CO -0.07 0.91 -0.49 2.35 -1.00 0.00 0.00 179.01 180.71 1xhu h TRP 226 N -0.11 -1.45 -0.40 4.33 7.01 0.46 0.25 115.95 126.05 1xhu h TRP 226 Ca -0.02 0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.12 1xhu h TRP 226 Cb 0.96 0.66 -0.09 0.00 -2.10 0.00 0.00 29.16 28.59 1xhu h TRP 226 CO 0.12 -0.51 -0.37 0.00 -2.79 0.00 0.00 178.44 174.90 1xhu h ALA 227 N -0.06 -0.28 -0.79 2.65 0.00 -1.21 0.40 119.26 119.97 1xhu h ALA 227 Ca 0.06 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xhu h ALA 227 Cb 0.65 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1xhu h ALA 227 CO -0.45 -0.78 0.52 0.87 0.00 0.00 0.00 179.25 179.41 1xhu h LYS 228 N -0.28 0.94 -0.19 0.00 1.57 -0.71 -1.97 116.57 115.93 1xhu h LYS 228 Ca 0.16 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.68 1xhu h LYS 228 Cb 0.56 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1xhu h LYS 228 CO -0.55 0.62 -0.70 1.03 -0.57 0.00 0.00 179.45 179.28 1xhu h SER 229 N 0.97 0.91 0.02 0.86 0.87 0.12 -2.86 113.55 114.45 1xhu h SER 229 Ca 0.31 -0.56 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1xhu h SER 229 Cb 0.04 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1xhu h SER 229 CO -0.09 1.35 -0.01 0.22 -0.53 0.00 0.00 176.83 177.77 1xhu h TYR 230 N 0.56 -0.03 -0.72 2.24 3.20 0.13 -0.15 116.97 122.20 1xhu h TYR 230 Ca -0.03 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.97 1xhu h TYR 230 Cb 1.32 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.51 1xhu h TYR 230 CO 0.08 0.05 0.28 -0.07 -1.64 0.00 0.00 178.16 176.86 1xhu h LEU 231 N -0.10 0.26 -0.06 2.82 -0.00 -1.42 0.49 115.31 117.30 1xhu h LEU 231 Ca -0.00 0.10 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1xhu h LEU 231 Cb 0.09 0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1xhu h LEU 231 CO 0.00 0.11 0.04 0.50 -0.00 0.00 0.00 178.44 179.09 1xhu h LYS 232 N 0.43 0.08 -0.65 1.13 3.64 -1.22 0.15 116.57 120.14 1xhu h LYS 232 Ca 0.39 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.79 1xhu h LYS 232 Cb 0.56 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1xhu h LYS 232 CO -0.38 0.08 0.40 1.25 -2.27 0.00 0.00 179.45 178.54 1xhu h HIS 233 N 0.05 0.76 0.60 1.91 2.76 0.43 -2.53 115.15 119.12 1xhu h HIS 233 Ca 0.02 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1xhu h HIS 233 Cb 0.02 -0.25 0.01 0.00 1.55 0.00 0.00 27.41 28.74 1xhu h HIS 233 CO -0.06 0.44 -0.29 0.35 -1.30 0.00 0.00 177.93 177.07 1xhu h PHE 234 N 0.80 -0.74 -0.46 5.26 3.04 0.32 -1.45 116.94 123.71 1xhu h PHE 234 Ca 0.26 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.32 1xhu h PHE 234 Cb 0.00 0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1xhu h PHE 234 CO -0.05 -0.42 0.42 0.28 -2.02 0.00 0.00 178.31 176.52 1xhu h VAL 235 N -0.93 0.49 0.00 1.41 2.07 -0.65 0.14 116.25 118.79 1xhu h VAL 235 Ca -0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1xhu h VAL 235 Cb 0.66 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1xhu h VAL 235 CO 0.13 0.00 -0.27 0.74 0.02 0.00 0.00 177.57 178.20 1xhu h THR 236 N 0.00 1.15 -0.90 2.57 2.02 -1.30 -3.17 112.91 113.29 1xhu h THR 236 Ca 0.22 -1.95 0.12 0.00 0.77 0.00 0.00 66.41 65.56 1xhu h THR 236 Cb 1.05 2.26 -0.08 0.00 -1.74 0.00 0.00 68.15 69.63 1xhu h THR 236 CO -0.00 0.39 0.52 1.56 0.37 0.00 0.00 175.52 178.36 1xhu h GLN 237 N -1.00 0.80 0.01 6.66 1.08 -0.36 -1.49 115.11 120.80 1xhu h GLN 237 Ca -0.06 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1xhu h GLN 237 Cb 0.82 -0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 28.02 1xhu h GLN 237 CO -0.04 0.53 -0.49 0.00 -0.95 0.00 0.00 178.83 177.88 1xhu h ALA 238 N 1.51 -0.92 -0.93 3.87 0.00 -0.86 0.62 119.26 122.56 1xhu h ALA 238 Ca 0.45 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.53 1xhu h ALA 238 Cb 0.48 0.92 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 1xhu h ALA 238 CO -0.28 -1.07 0.42 0.93 0.00 0.00 0.00 179.25 179.25 1xhu h GLU 239 N -0.63 0.35 0.39 0.00 5.08 -1.30 0.43 114.58 118.91 1xhu h GLU 239 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1xhu h GLU 239 Cb 0.67 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1xhu h GLU 239 CO -0.33 0.23 -0.21 1.96 -1.00 0.00 0.00 179.01 179.67 1xhu h GLN 240 N 0.36 -0.53 -1.03 2.33 1.08 -0.07 -1.15 115.11 116.11 1xhu h GLN 240 Ca 0.61 0.04 0.36 0.00 -1.45 0.00 0.00 58.65 58.20 1xhu h GLN 240 Cb 1.23 0.12 -0.15 0.00 -0.05 0.00 0.00 27.48 28.62 1xhu h GLN 240 CO -0.57 -0.35 0.59 -0.09 -0.95 0.00 0.00 178.83 177.46 1xhu h ARG 241 N -0.55 0.21 -0.05 1.46 9.65 0.31 0.87 114.38 126.28 1xhu h ARG 241 Ca -0.05 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1xhu h ARG 241 Cb 0.43 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1xhu h ARG 241 CO 0.07 0.14 -0.03 0.00 2.80 0.00 0.00 179.97 182.95 1xhu h ALA 242 N 1.87 0.01 0.63 2.80 0.00 -0.52 0.52 119.26 124.57 1xhu h ALA 242 Ca 0.77 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.67 1xhu h ALA 242 Cb 1.90 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.77 1xhu h ALA 242 CO -0.63 -0.51 -0.30 0.82 0.00 0.00 0.00 179.25 178.62 1xhu h ILE 243 N -0.03 0.00 -0.82 0.00 1.08 0.19 -3.19 117.51 114.74 1xhu h ILE 243 Ca 0.03 -0.18 0.16 0.00 -0.39 0.00 0.00 64.86 64.48 1xhu h ILE 243 Cb 0.08 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.68 1xhu h ILE 243 CO -0.07 0.00 -0.23 0.77 -0.69 0.00 0.00 178.15 177.93 1xhu h SER 244 N -1.03 -0.85 -1.16 1.72 4.64 -0.69 0.27 113.55 116.44 1xhu h SER 244 Ca -0.09 0.25 0.34 0.00 -0.47 0.00 0.00 61.79 61.82 1xhu h SER 244 Cb 0.65 0.54 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 1xhu h SER 244 CO 0.14 -0.28 0.76 0.24 -0.87 0.00 0.00 176.83 176.82 1xhu h MET 245 N -0.02 0.24 -0.27 4.77 2.86 0.06 0.15 114.93 122.73 1xhu h MET 245 Ca 0.38 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.89 1xhu h MET 245 Cb 0.60 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1xhu h MET 245 CO -0.84 0.16 -0.28 0.82 1.06 0.00 0.00 176.91 177.82 1xhu h ILE 246 N 0.24 1.31 0.00 -1.22 2.04 -0.47 0.48 117.51 119.89 1xhu h ILE 246 Ca 0.68 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1xhu h ILE 246 Cb 1.99 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1xhu h ILE 246 CO -0.32 0.46 -0.01 0.44 0.00 0.00 0.00 178.15 178.72 1xhu h ASP 247 N 0.40 0.00 0.00 1.72 3.32 -0.65 -1.08 116.42 120.12 1xhu h ASP 247 Ca 0.04 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1xhu h ASP 247 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1xhu h ASP 247 CO 0.07 0.01 -1.80 1.17 -1.72 0.00 0.00 179.24 176.97 1xhu n LYS 248 N -3.10 1.11 0.00 3.56 4.81 -0.45 -4.29 118.16 119.80 1xhu n LYS 248 Ca 0.01 -0.07 0.04 0.00 -0.87 0.00 0.00 58.31 57.42 1xhu n LYS 248 Cb 0.36 -1.35 0.02 0.00 0.02 0.00 0.00 35.03 34.08 1xhu n LYS 248 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1xhu n PHE 249 N -2.26 0.00 0.00 5.64 3.72 0.15 -4.77 117.46 119.95 1xhu n PHE 249 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1xhu n PHE 249 Cb 0.66 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 1xhu n PHE 249 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xhu n VAL 250 N 0.15 0.00 -0.28 -4.37 0.31 -0.51 -4.76 118.33 108.86 1xhu n VAL 250 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 1xhu n VAL 250 Cb 0.18 -0.67 -0.07 0.00 -0.91 0.00 0.00 33.84 32.36 1xhu n VAL 250 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1xhu n LYS 251 N -1.97 -0.30 0.00 5.55 3.00 -0.60 0.10 118.16 123.95 1xhu n LYS 251 Ca 0.00 1.05 0.02 0.00 -0.00 0.00 0.00 58.31 59.38 1xhu n LYS 251 Cb 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 35.03 33.58 1xhu n LYS 251 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1xhu n PRO 252 N -4.79 0.00 -0.03 1.64 -0.04 -1.26 -3.13 135.00 127.39 1xhu n PRO 252 Ca 0.01 0.42 -0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1xhu n PRO 252 Cb 0.18 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.05 1xhu n PRO 252 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xhu n PHE 253 N -1.50 0.00 -0.56 0.54 3.01 0.28 -4.61 117.46 114.62 1xhu n PHE 253 Ca 0.01 0.00 0.46 0.00 1.01 0.00 0.00 57.45 58.94 1xhu n PHE 253 Cb 0.05 -0.39 0.79 0.00 -0.01 0.00 0.00 39.48 39.92 1xhu n PHE 253 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1xhu h LYS 254 N 0.00 0.01 -1.63 -1.08 1.79 -1.25 -1.78 116.57 112.63 1xhu h LYS 254 Ca -0.15 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1xhu h LYS 254 Cb 1.13 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1xhu h LYS 254 CO 0.01 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.74 1xhu n LYS 255 N -4.05 0.53 0.00 3.15 2.85 -1.26 -2.62 118.16 116.76 1xhu n LYS 255 Ca 0.38 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.64 1xhu n LYS 255 Cb 1.72 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 1xhu n LYS 255 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1xhu n TYR 256 N 1.03 0.00 0.68 5.58 4.01 -0.67 -5.22 117.16 122.57 1xhu n TYR 256 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1xhu n TYR 256 Cb 0.27 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.62 1xhu n TYR 256 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51