#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xha h ASN 2 N 0.00 0.00 0.31 1.61 2.35 -2.06 -1.09 115.58 116.70 1xha h ASN 2 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1xha h ASN 2 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1xha h ASN 2 CO 0.00 0.07 -0.79 0.00 -1.65 0.00 0.00 177.43 175.06 1xha h ALA 3 N 1.93 0.54 0.00 -0.83 0.00 -2.05 -2.59 119.26 116.26 1xha h ALA 3 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1xha h ALA 3 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xha h ALA 3 CO 0.01 0.79 0.00 0.00 0.00 0.00 0.00 179.25 180.05 1xha h ALA 4 N 0.90 1.00 0.01 0.00 0.00 -1.64 -0.73 119.26 118.79 1xha h ALA 4 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1xha h ALA 4 Cb 1.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1xha h ALA 4 CO 0.13 0.00 -1.25 0.00 0.00 0.00 0.00 179.25 178.13 1xha h ALA 5 N 2.11 0.49 0.00 0.00 0.00 -1.38 -0.17 119.26 120.30 1xha h ALA 5 Ca 0.00 -1.10 -0.23 0.00 0.00 0.00 0.00 54.91 53.58 1xha h ALA 5 Cb 0.68 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1xha h ALA 5 CO 0.00 1.36 -0.96 0.00 0.00 0.00 0.00 179.25 179.65 1xha h ALA 6 N 0.98 0.33 -0.16 0.00 0.00 -1.41 -1.72 119.26 117.27 1xha h ALA 6 Ca -0.11 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 1xha h ALA 6 Cb 1.86 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1xha h ALA 6 CO 0.12 0.80 -0.09 -0.22 0.00 0.00 0.00 179.25 179.85 1xha h LYS 7 N 0.26 0.35 -0.47 0.00 3.64 -1.20 -3.20 116.57 115.94 1xha h LYS 7 Ca -0.09 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1xha h LYS 7 Cb 1.60 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.40 1xha h LYS 7 CO 0.17 0.68 -0.14 0.87 -2.27 0.00 0.00 179.45 178.75 1xha h LYS 8 N 0.01 0.90 -1.15 1.90 1.57 -1.13 -1.94 116.57 116.73 1xha h LYS 8 Ca 0.03 -0.33 -0.17 0.00 -1.87 0.00 0.00 60.65 58.32 1xha h LYS 8 Cb 0.58 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.74 1xha h LYS 8 CO 0.03 0.98 0.21 0.41 -0.57 0.00 0.00 179.45 180.51 1xha n GLY 9 N -0.30 2.91 0.40 3.86 0.00 -0.65 -3.12 105.19 108.30 1xha n GLY 9 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1xha n GLY 9 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xha n SER 10 N 0.17 0.00 -0.33 1.61 2.88 -1.23 -4.76 113.62 111.96 1xha n SER 10 Ca 0.18 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.87 1xha n SER 10 Cb 0.79 0.09 0.34 0.00 -0.75 0.00 0.00 64.21 64.67 1xha n SER 10 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1xha h GLU 11 N 0.00 0.57 0.00 -1.46 4.81 -1.42 -2.57 114.58 114.51 1xha h GLU 11 Ca 0.00 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 1xha h GLU 11 Cb 0.00 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1xha h GLU 11 CO 0.00 0.38 -0.55 -0.56 -0.73 0.00 0.00 179.01 177.55 1xha h GLN 12 N 0.59 0.00 0.01 1.92 3.07 -1.81 -2.05 115.11 116.83 1xha h GLN 12 Ca 0.59 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 59.12 1xha h GLN 12 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.61 1xha h GLN 12 CO -0.46 0.55 -0.92 0.93 0.09 0.00 0.00 178.83 179.02 1xha h GLU 13 N 0.00 0.27 -0.26 0.06 4.39 -1.81 -0.93 114.58 116.31 1xha h GLU 13 Ca -0.01 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.29 1xha h GLU 13 Cb 0.98 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1xha h GLU 13 CO 0.07 1.02 -0.26 1.03 -1.16 0.00 0.00 179.01 179.71 1xha h SER 14 N 0.15 0.51 0.03 1.42 0.87 -1.33 -2.39 113.55 112.80 1xha h SER 14 Ca -0.06 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.22 1xha h SER 14 Cb 1.56 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.39 1xha h SER 14 CO 0.15 0.76 -0.41 0.58 -0.53 0.00 0.00 176.83 177.38 1xha h VAL 15 N 0.45 1.55 -0.95 2.23 2.07 -1.28 0.64 116.25 120.95 1xha h VAL 15 Ca 0.06 -2.16 0.15 0.00 0.82 0.00 0.00 66.70 65.57 1xha h VAL 15 Cb 0.69 2.92 -0.08 0.00 -1.52 0.00 0.00 31.29 33.30 1xha h VAL 15 CO 0.05 0.60 0.60 0.11 0.02 0.00 0.00 177.57 178.96 1xha h LYS 16 N -0.47 0.78 0.02 1.57 1.57 -1.19 -1.52 116.57 117.34 1xha h LYS 16 Ca -0.06 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.44 1xha h LYS 16 Cb 1.21 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1xha h LYS 16 CO 0.08 0.52 -1.19 1.49 -0.57 0.00 0.00 179.45 179.78 1xha h GLU 17 N 0.81 0.03 -0.50 3.15 4.81 -1.40 -2.86 114.58 118.63 1xha h GLU 17 Ca 0.49 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 1xha h GLU 17 Cb 0.68 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1xha h GLU 17 CO -0.26 0.92 0.24 0.35 -0.73 0.00 0.00 179.01 179.53 1xha h PHE 18 N 0.01 0.72 -0.26 0.92 3.57 -0.43 -3.01 116.94 118.45 1xha h PHE 18 Ca -0.09 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.23 1xha h PHE 18 Cb 1.85 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.36 1xha h PHE 18 CO 0.01 0.57 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.16 1xha h LEU 19 N 0.66 0.83 -0.57 0.59 3.38 -1.34 -0.85 115.31 118.01 1xha h LEU 19 Ca 0.17 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.69 1xha h LEU 19 Cb 0.12 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1xha h LEU 19 CO -0.02 1.19 0.26 0.00 0.09 0.00 0.00 178.44 179.96 1xha h ALA 20 N 0.66 0.74 0.00 1.53 0.00 -1.54 0.12 119.26 120.76 1xha h ALA 20 Ca 0.02 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xha h ALA 20 Cb 1.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1xha h ALA 20 CO 0.10 -0.12 -0.58 -0.22 0.00 0.00 0.00 179.25 178.42 1xha h LYS 21 N 0.48 0.00 -0.14 0.00 1.63 -1.38 -2.62 116.57 114.53 1xha h LYS 21 Ca 0.27 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.92 1xha h LYS 21 Cb 0.25 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1xha h LYS 21 CO -0.23 0.58 -0.56 0.00 -3.45 0.00 0.00 179.45 175.80 1xha h ALA 22 N 1.42 0.77 -0.23 5.00 0.00 -0.46 -2.73 119.26 123.02 1xha h ALA 22 Ca -0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1xha h ALA 22 Cb 1.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xha h ALA 22 CO 0.08 0.69 -0.31 -0.22 0.00 0.00 0.00 179.25 179.49 1xha h LYS 23 N 0.33 0.48 -0.28 0.00 3.64 -0.73 -1.50 116.57 118.52 1xha h LYS 23 Ca 0.00 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1xha h LYS 23 Cb 1.08 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1xha h LYS 23 CO 0.10 0.74 -0.00 0.93 -2.27 0.00 0.00 179.45 178.95 1xha h GLU 24 N 0.42 0.50 -0.63 1.90 5.08 -1.46 -1.35 114.58 119.04 1xha h GLU 24 Ca 0.05 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1xha h GLU 24 Cb 0.76 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1xha h GLU 24 CO 0.06 0.66 0.15 -0.44 -1.00 0.00 0.00 179.01 178.43 1xha h ASP 25 N 0.29 0.96 0.18 1.42 5.19 -1.39 -2.10 116.42 120.97 1xha h ASP 25 Ca 0.08 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1xha h ASP 25 Cb 0.43 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1xha h ASP 25 CO 0.01 0.95 -0.08 0.15 -3.12 0.00 0.00 179.24 177.15 1xha h PHE 26 N 0.93 -0.22 -0.89 4.55 3.57 -1.32 -3.06 116.94 120.51 1xha h PHE 26 Ca 0.20 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1xha h PHE 26 Cb 0.36 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 1xha h PHE 26 CO 0.03 0.14 0.57 -0.07 -2.23 0.00 0.00 178.31 176.75 1xha h LEU 27 N -0.62 0.74 0.13 0.59 3.38 -1.25 0.30 115.31 118.59 1xha h LEU 27 Ca -0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xha h LEU 27 Cb 0.46 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1xha h LEU 27 CO 0.04 0.41 -0.14 0.50 0.09 0.00 0.00 178.44 179.34 1xha h LYS 28 N 0.81 -0.29 0.00 1.13 3.64 -1.36 -0.94 116.57 119.55 1xha h LYS 28 Ca 0.43 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.70 1xha h LYS 28 Cb 0.53 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1xha h LYS 28 CO -0.19 -0.19 -0.63 0.87 -2.27 0.00 0.00 179.45 177.04 1xha h LYS 29 N -0.30 0.00 -0.60 1.90 1.57 -1.32 -3.02 116.57 114.80 1xha h LYS 29 Ca 0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1xha h LYS 29 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1xha h LYS 29 CO -0.04 0.63 0.07 2.35 -0.57 0.00 0.00 179.45 181.89 1xha h TRP 30 N 0.00 1.09 -0.01 -1.35 2.91 -0.30 -2.24 115.95 116.05 1xha h TRP 30 Ca -0.01 -0.16 0.00 0.00 1.13 0.00 0.00 58.89 59.85 1xha h TRP 30 Cb 1.39 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.74 1xha h TRP 30 CO 0.00 0.94 -0.05 0.39 -1.03 0.00 0.00 178.44 178.70 1xha n GLU 31 N -4.27 1.12 -2.75 2.65 -0.58 -0.37 -4.49 120.64 111.95 1xha n GLU 31 Ca 0.03 -0.42 -0.08 0.00 -0.42 0.00 0.00 57.16 56.27 1xha n GLU 31 Cb 0.30 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.72 1xha n GLU 31 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xha n ASN 32 N -0.57 -2.97 -4.77 1.62 4.13 -1.13 -5.09 115.26 106.49 1xha n ASN 32 Ca 0.19 -3.27 -0.37 0.00 1.68 0.00 0.00 54.58 52.81 1xha n ASN 32 Cb 0.26 1.83 0.00 0.00 -1.54 0.00 0.00 39.78 40.33 1xha n ASN 32 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1xha s PRO 33 N 0.72 3.57 0.16 3.52 0.02 -0.86 -4.64 135.00 137.49 1xha s PRO 33 Ca 0.32 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 62.85 1xha s PRO 33 Cb 0.21 -2.29 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 1xha s PRO 33 CO -0.23 -0.72 1.12 0.00 -0.33 0.00 0.00 177.00 176.84 1xha s ALA 34 N -1.55 3.38 0.15 -1.55 0.00 -1.26 -5.04 121.76 115.89 1xha s ALA 34 Ca 0.67 0.83 0.07 0.00 0.00 0.00 0.00 51.96 53.53 1xha s ALA 34 Cb -0.29 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1xha s ALA 34 CO 0.35 -0.25 -0.16 -0.65 0.00 0.00 0.00 175.76 175.05 1xha s GLN 35 N -0.19 1.19 -1.27 0.00 -0.21 -1.26 -4.92 119.66 112.99 1xha s GLN 35 Ca 0.51 -1.37 -0.25 0.00 0.02 0.00 0.00 55.36 54.27 1xha s GLN 35 Cb -0.30 -1.14 0.03 0.00 1.00 0.00 0.00 33.01 32.61 1xha s GLN 35 CO 0.34 0.22 0.57 -1.71 -2.12 0.00 0.00 175.29 172.59 1xha n ASN 36 N 0.29 -3.20 -1.01 5.90 5.15 -1.18 -4.87 115.26 116.33 1xha n ASN 36 Ca -0.13 -1.24 0.11 0.00 -0.60 0.00 0.00 54.58 52.71 1xha n ASN 36 Cb 0.57 -1.97 0.27 0.00 -0.53 0.00 0.00 39.78 38.12 1xha n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1xha n THR 37 N -4.83 0.57 -2.44 -0.44 -2.24 -0.74 -5.00 114.28 99.17 1xha n THR 37 Ca -0.16 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1xha n THR 37 Cb 0.60 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1xha n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xha n ALA 38 N 1.16 0.00 -3.42 6.98 0.00 -1.26 -4.82 120.51 119.15 1xha n ALA 38 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.47 1xha n ALA 38 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1xha n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1xha s HIS 39 N -3.39 -0.51 0.14 0.00 2.46 -1.26 -4.75 115.29 107.98 1xha s HIS 39 Ca 0.00 0.82 -0.18 0.00 0.47 0.00 0.00 55.06 56.17 1xha s HIS 39 Cb 0.00 0.33 -0.00 0.00 -0.13 0.00 0.00 32.58 32.77 1xha s HIS 39 CO 0.00 -0.56 1.74 1.25 -2.47 0.00 0.00 174.74 174.70 1xha h LEU 40 N 3.18 0.03 0.00 8.88 6.46 -1.96 -2.88 115.31 129.02 1xha h LEU 40 Ca -0.28 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1xha h LEU 40 Cb 1.16 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1xha h LEU 40 CO 0.40 0.05 0.00 -0.90 -0.62 0.00 0.00 178.44 177.37 1xha n ASP 41 N -5.07 0.00 0.00 1.25 5.68 -1.26 -2.01 116.55 115.14 1xha n ASP 41 Ca -0.01 0.13 0.07 0.00 -0.50 0.00 0.00 54.79 54.48 1xha n ASP 41 Cb 0.11 -0.34 0.33 0.00 -1.14 0.00 0.00 41.12 40.08 1xha n ASP 41 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xha n GLN 42 N -1.34 0.02 -4.91 0.11 6.02 -1.09 -4.81 117.38 111.39 1xha n GLN 42 Ca 0.08 0.23 -0.26 0.00 -0.01 0.00 0.00 57.00 57.04 1xha n GLN 42 Cb 0.17 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.77 1xha n GLN 42 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1xha s PHE 43 N -2.95 1.72 0.04 1.08 0.08 -0.85 -1.56 117.98 115.54 1xha s PHE 43 Ca 0.08 -0.33 -0.20 0.00 0.12 0.00 0.00 56.93 56.60 1xha s PHE 43 Cb 0.10 -1.10 -0.06 0.00 -0.57 0.00 0.00 43.02 41.39 1xha s PHE 43 CO 0.27 -0.02 0.58 -2.00 -0.10 0.00 0.00 175.22 173.95 1xha s GLU 44 N -0.50 4.25 -0.25 0.44 2.12 0.89 -4.89 118.70 120.76 1xha s GLU 44 Ca 0.07 0.74 -0.10 0.00 0.36 0.00 0.00 54.97 56.04 1xha s GLU 44 Cb -0.07 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1xha s GLU 44 CO -0.01 0.52 0.16 1.03 -0.54 0.00 0.00 175.26 176.43 1xha s ARG 45 N -0.72 4.02 -0.15 4.30 0.52 -1.26 -1.02 118.95 124.64 1xha s ARG 45 Ca 0.30 -0.29 -0.10 0.00 -0.52 0.00 0.00 55.73 55.12 1xha s ARG 45 Cb -0.19 -3.55 -0.06 0.00 0.52 0.00 0.00 34.95 31.67 1xha s ARG 45 CO 0.18 0.01 -0.23 -0.89 0.02 0.00 0.00 175.30 174.39 1xha n ILE 46 N 4.46 1.11 -3.59 1.52 5.41 -0.80 -5.03 119.36 122.45 1xha n ILE 46 Ca -0.15 -0.10 -0.13 0.00 1.00 0.00 0.00 62.75 63.37 1xha n ILE 46 Cb 0.52 -1.85 -0.06 0.00 -0.71 0.00 0.00 39.64 37.54 1xha n ILE 46 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xha s LYS 47 N -2.41 0.77 -0.10 0.38 2.20 -1.15 -5.01 119.74 114.41 1xha s LYS 47 Ca -0.23 0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 55.58 1xha s LYS 47 Cb 0.07 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.74 1xha s LYS 47 CO 0.30 -0.18 1.11 0.99 -0.36 0.00 0.00 175.35 177.21 1xha s THR 48 N -0.46 4.53 -0.83 3.43 2.01 -1.26 0.52 115.64 123.58 1xha s THR 48 Ca -0.03 1.82 0.23 0.00 0.31 0.00 0.00 61.69 64.02 1xha s THR 48 Cb -0.02 -4.17 -0.14 0.00 0.01 0.00 0.00 72.50 68.17 1xha s THR 48 CO 0.02 -0.03 1.05 0.18 -0.69 0.00 0.00 174.62 175.15 1xha n LEU 49 N 5.35 0.70 0.00 4.42 4.77 -0.54 -4.44 117.00 127.26 1xha n LEU 49 Ca 0.10 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1xha n LEU 49 Cb 0.47 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1xha n LEU 49 CO 0.54 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1xha n GLY 50 N 1.45 0.72 3.19 -0.72 0.00 -1.18 -4.74 105.19 103.91 1xha n GLY 50 Ca 0.03 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1xha n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xha s THR 51 N -2.00 0.15 0.00 2.61 -4.23 -1.26 -1.62 115.64 109.29 1xha s THR 51 Ca 0.00 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1xha s THR 51 Cb 0.00 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1xha s THR 51 CO 0.00 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1xha n GLY 52 N -0.22 2.55 0.29 3.99 0.00 -0.61 -4.93 105.19 106.26 1xha n GLY 52 Ca -0.02 -1.12 0.03 0.00 0.00 0.00 0.00 46.02 44.91 1xha n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xha h SER 53 N 0.00 0.54 -0.30 1.61 0.02 -2.02 -3.13 113.55 110.27 1xha h SER 53 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1xha h SER 53 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1xha h SER 53 CO 0.00 0.30 0.00 0.49 -1.14 0.00 0.00 176.83 176.48 1xha n PHE 54 N -4.82 0.40 0.00 3.45 3.72 -1.26 -5.03 117.46 113.92 1xha n PHE 54 Ca 0.13 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 1xha n PHE 54 Cb 0.30 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1xha n PHE 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xha n GLY 55 N 0.49 -0.47 3.45 1.37 0.00 -1.18 -0.90 105.19 107.95 1xha n GLY 55 Ca 0.11 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 1xha n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xha s ARG 56 N -1.84 1.20 -0.15 1.61 1.70 -0.77 -1.58 118.95 119.12 1xha s ARG 56 Ca 0.00 -0.24 -0.09 0.00 -0.47 0.00 0.00 55.73 54.94 1xha s ARG 56 Cb 0.00 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 1xha s ARG 56 CO 0.00 -0.48 0.15 0.08 -1.08 0.00 0.00 175.30 173.97 1xha s VAL 57 N -2.90 5.45 -0.02 4.99 1.01 -0.64 -0.43 120.40 127.86 1xha s VAL 57 Ca -0.03 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1xha s VAL 57 Cb -0.01 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1xha s VAL 57 CO -0.05 0.53 -0.17 -0.04 0.00 0.00 0.00 175.10 175.37 1xha s MET 58 N -0.38 1.41 0.16 2.72 -1.94 0.13 -1.47 119.30 119.93 1xha s MET 58 Ca 0.12 -0.61 -0.31 0.00 -1.71 0.00 0.00 55.69 53.18 1xha s MET 58 Cb -0.12 -1.35 -0.11 0.00 2.01 0.00 0.00 34.83 35.27 1xha s MET 58 CO 0.02 0.35 1.74 -1.17 -0.01 0.00 0.00 175.02 175.95 1xha s LEU 59 N -0.35 4.38 0.06 -0.03 0.20 0.19 -0.50 118.68 122.62 1xha s LEU 59 Ca 0.06 2.77 -0.00 0.00 0.69 0.00 0.00 54.13 57.65 1xha s LEU 59 Cb -0.07 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 42.07 1xha s LEU 59 CO -0.00 -0.96 -0.04 0.68 -0.29 0.00 0.00 176.35 175.73 1xha s VAL 60 N 1.90 0.34 -0.15 1.68 -7.23 -0.11 -1.90 120.40 114.94 1xha s VAL 60 Ca 0.77 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.20 1xha s VAL 60 Cb -0.47 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.04 1xha s VAL 60 CO 0.34 -0.91 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.27 1xha s LYS 61 N -3.64 3.07 -0.41 4.82 2.20 -0.19 -0.77 119.74 124.82 1xha s LYS 61 Ca 0.06 -0.82 -0.28 0.00 -0.36 0.00 0.00 55.97 54.57 1xha s LYS 61 Cb 0.05 -2.51 0.02 0.00 -1.51 0.00 0.00 37.83 33.89 1xha s LYS 61 CO -0.08 -0.04 1.05 -1.58 -0.36 0.00 0.00 175.35 174.34 1xha s HIS 62 N 0.90 2.97 0.28 4.03 5.65 -0.49 -0.08 115.29 128.55 1xha s HIS 62 Ca -0.05 0.81 0.02 0.00 0.25 0.00 0.00 55.06 56.09 1xha s HIS 62 Cb -0.15 -4.01 0.41 0.00 -1.18 0.00 0.00 32.58 27.65 1xha s HIS 62 CO -0.03 -1.02 1.73 0.52 -0.65 0.00 0.00 174.74 175.29 1xha h MET 63 N 8.75 0.51 -0.61 2.88 0.00 -1.62 0.49 114.93 125.33 1xha h MET 63 Ca -0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 59.70 59.28 1xha h MET 63 Cb 1.07 -0.03 -0.03 0.00 0.00 0.00 0.00 31.60 32.60 1xha h MET 63 CO 1.06 0.70 0.33 0.93 0.00 0.00 0.00 176.91 179.93 1xha h GLU 64 N 0.46 0.86 0.00 1.72 5.08 -1.93 -3.29 114.58 117.47 1xha h GLU 64 Ca 0.07 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1xha h GLU 64 Cb 0.64 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1xha h GLU 64 CO 0.05 0.67 -1.81 0.25 -1.00 0.00 0.00 179.01 177.17 1xha n THR 65 N -4.55 0.64 -0.98 1.13 -2.24 -1.05 -4.97 114.28 102.26 1xha n THR 65 Ca 0.04 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1xha n THR 65 Cb 0.10 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1xha n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xha n GLY 66 N 1.38 0.21 3.73 3.38 0.00 0.17 -5.02 105.19 109.04 1xha n GLY 66 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1xha n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xha s ASN 67 N -2.02 6.70 0.09 1.61 0.01 -1.24 -4.75 114.94 115.33 1xha s ASN 67 Ca 0.00 2.52 -0.24 0.00 -0.71 0.00 0.00 52.86 54.44 1xha s ASN 67 Cb 0.00 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.99 1xha s ASN 67 CO 0.00 -0.72 0.72 -1.00 -1.51 0.00 0.00 177.10 174.59 1xha s HIS 68 N 0.77 3.80 0.35 2.20 3.76 -1.26 -1.40 115.29 123.50 1xha s HIS 68 Ca 0.65 1.47 0.03 0.00 -0.15 0.00 0.00 55.06 57.06 1xha s HIS 68 Cb -0.41 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 1xha s HIS 68 CO 0.34 0.41 0.10 0.71 -0.85 0.00 0.00 174.74 175.46 1xha s TYR 69 N -0.61 1.80 -0.26 1.40 2.02 0.05 -4.26 117.35 117.49 1xha s TYR 69 Ca 0.35 -1.15 -0.03 0.00 -0.37 0.00 0.00 57.07 55.88 1xha s TYR 69 Cb -0.21 -1.15 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 1xha s TYR 69 CO 0.23 -0.20 -0.02 0.00 -1.57 0.00 0.00 175.55 173.99 1xha s ALA 70 N -3.36 2.81 -0.20 3.71 0.00 -0.29 -0.93 121.76 123.51 1xha s ALA 70 Ca 0.32 -1.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 1xha s ALA 70 Cb 0.06 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1xha s ALA 70 CO 0.15 -0.85 0.07 1.41 0.00 0.00 0.00 175.76 176.54 1xha s MET 71 N 1.38 3.96 -0.24 0.00 1.75 0.34 -0.40 119.30 126.08 1xha s MET 71 Ca 0.01 -0.35 -0.15 0.00 -1.25 0.00 0.00 55.69 53.95 1xha s MET 71 Cb -0.17 -3.26 -0.04 0.00 2.84 0.00 0.00 34.83 34.20 1xha s MET 71 CO -0.02 0.21 0.35 0.21 -0.65 0.00 0.00 175.02 175.12 1xha s LYS 72 N 0.56 4.09 -0.24 4.11 2.20 0.98 0.18 119.74 131.62 1xha s LYS 72 Ca 0.04 0.06 -0.03 0.00 -0.36 0.00 0.00 55.97 55.68 1xha s LYS 72 Cb -0.13 -3.59 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1xha s LYS 72 CO 0.01 -0.13 -0.04 0.42 -0.36 0.00 0.00 175.35 175.25 1xha s ILE 73 N 1.62 3.23 -0.08 5.43 1.01 0.43 -1.89 121.20 130.96 1xha s ILE 73 Ca 0.16 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1xha s ILE 73 Cb -0.15 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1xha s ILE 73 CO 0.08 0.29 -0.08 -0.76 0.00 0.00 0.00 174.94 174.48 1xha s LEU 74 N 1.42 3.08 -0.42 2.97 1.43 -0.73 -1.85 118.68 124.58 1xha s LEU 74 Ca 0.03 -0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 1xha s LEU 74 Cb -0.15 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.41 1xha s LEU 74 CO -0.03 0.33 0.83 -0.62 0.23 0.00 0.00 176.35 177.08 1xha s ASP 75 N -0.59 6.50 0.28 2.29 3.68 -0.08 -0.80 116.67 127.95 1xha s ASP 75 Ca 0.09 0.15 0.03 0.00 2.13 0.00 0.00 52.55 54.94 1xha s ASP 75 Cb -0.12 -2.41 0.66 0.00 -1.45 0.00 0.00 42.92 39.60 1xha s ASP 75 CO 0.02 -0.88 1.74 0.11 0.13 0.00 0.00 175.17 176.29 1xha h LYS 76 N 8.80 0.55 -0.62 4.34 1.57 -1.71 -2.50 116.57 127.00 1xha h LYS 76 Ca -0.24 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1xha h LYS 76 Cb 1.09 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1xha h LYS 76 CO 0.96 0.37 0.25 1.96 -0.57 0.00 0.00 179.45 182.42 1xha h GLN 77 N 0.57 0.93 -0.16 3.15 4.20 -1.93 -1.76 115.11 120.11 1xha h GLN 77 Ca 0.53 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.98 1xha h GLN 77 Cb 0.88 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1xha h GLN 77 CO -0.43 0.78 -0.33 0.87 -0.67 0.00 0.00 178.83 179.06 1xha h LYS 78 N 0.87 0.32 -0.12 1.46 1.57 -1.83 -2.23 116.57 116.61 1xha h LYS 78 Ca 0.21 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1xha h LYS 78 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1xha h LYS 78 CO -0.02 0.62 0.05 0.28 -0.57 0.00 0.00 179.45 179.81 1xha h VAL 79 N 0.28 1.15 -0.03 0.50 2.07 -1.15 -1.78 116.25 117.30 1xha h VAL 79 Ca 0.04 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1xha h VAL 79 Cb 0.72 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1xha h VAL 79 CO 0.05 0.13 -0.03 0.58 0.02 0.00 0.00 177.57 178.33 1xha h VAL 80 N 0.04 0.92 -0.86 2.57 2.07 -1.27 -2.25 116.25 117.48 1xha h VAL 80 Ca 0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.72 1xha h VAL 80 Cb 0.17 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1xha h VAL 80 CO -0.00 0.00 0.56 0.50 0.02 0.00 0.00 177.57 178.65 1xha h LYS 81 N -0.04 0.57 -0.27 1.57 3.64 -1.34 -1.67 116.57 119.04 1xha h LYS 81 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xha h LYS 81 Cb 0.07 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1xha h LYS 81 CO -0.05 0.38 0.00 1.28 -2.27 0.00 0.00 179.45 178.79 1xha n LEU 82 N -4.54 2.46 -3.51 5.20 7.99 -0.67 -4.96 117.00 118.96 1xha n LEU 82 Ca 0.17 -1.05 -0.20 0.00 -0.01 0.00 0.00 56.01 54.93 1xha n LEU 82 Cb 0.52 -0.17 0.06 0.00 -0.11 0.00 0.00 43.42 43.72 1xha n LEU 82 CO 0.30 0.52 0.01 0.29 -1.51 0.00 0.00 177.39 177.01 1xha n LYS 83 N 0.85 -4.53 -0.24 3.23 5.02 -0.63 -4.94 118.16 116.92 1xha n LYS 83 Ca 0.17 0.73 0.06 0.00 -2.02 0.00 0.00 58.31 57.26 1xha n LYS 83 Cb 0.45 -5.44 0.09 0.00 -0.02 0.00 0.00 35.03 30.11 1xha n LYS 83 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xha n GLU 84 N -3.99 0.80 -0.14 1.97 1.02 -0.88 -4.80 120.64 114.61 1xha n GLU 84 Ca -0.23 -2.00 -0.04 0.00 -0.02 0.00 0.00 57.16 54.87 1xha n GLU 84 Cb 0.65 -1.12 0.02 0.00 -0.02 0.00 0.00 31.44 30.98 1xha n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1xha h ILE 85 N 2.63 0.49 -0.74 -3.67 2.04 -1.90 -1.71 117.51 114.67 1xha h ILE 85 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1xha h ILE 85 Cb 1.15 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1xha h ILE 85 CO 0.00 0.00 0.31 -0.08 0.00 0.00 0.00 178.15 178.38 1xha h GLU 86 N -0.04 1.08 -0.29 2.37 4.57 -1.96 0.20 114.58 120.52 1xha h GLU 86 Ca 0.22 -0.17 -0.16 0.00 -1.18 0.00 0.00 59.36 58.06 1xha h GLU 86 Cb 0.37 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1xha h GLU 86 CO -0.49 0.86 -0.44 0.45 -1.18 0.00 0.00 179.01 178.21 1xha h HIS 87 N 1.06 1.01 -0.57 0.92 3.86 -1.74 0.59 115.15 120.28 1xha h HIS 87 Ca 0.25 -0.34 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 1xha h HIS 87 Cb 0.17 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1xha h HIS 87 CO 0.02 1.15 0.07 1.15 0.86 0.00 0.00 177.93 181.18 1xha h THR 88 N 0.58 1.25 -0.27 2.45 2.02 -0.98 -2.00 112.91 115.96 1xha h THR 88 Ca 0.03 -0.97 -0.13 0.00 0.77 0.00 0.00 66.41 66.11 1xha h THR 88 Cb 1.04 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1xha h THR 88 CO 0.10 0.35 -0.36 -0.07 0.37 0.00 0.00 175.52 175.92 1xha h LEU 89 N 0.86 0.64 -0.45 2.58 3.38 -0.71 -2.96 115.31 118.66 1xha h LEU 89 Ca 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1xha h LEU 89 Cb 0.41 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1xha h LEU 89 CO 0.01 0.95 0.08 0.78 0.09 0.00 0.00 178.44 180.35 1xha h ASN 90 N 0.51 0.72 -0.10 -0.43 2.35 -0.71 -2.09 115.58 115.83 1xha h ASN 90 Ca 0.05 -0.26 0.04 0.00 -0.55 0.00 0.00 56.30 55.59 1xha h ASN 90 Cb 0.86 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.99 1xha h ASN 90 CO 0.07 0.79 -0.22 -0.08 -1.65 0.00 0.00 177.43 176.34 1xha h GLU 91 N 0.61 -0.29 0.03 0.81 4.81 -1.30 0.95 114.58 120.20 1xha h GLU 91 Ca 0.14 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1xha h GLU 91 Cb 0.38 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1xha h GLU 91 CO 0.01 -0.19 -0.01 -0.22 -0.73 0.00 0.00 179.01 177.86 1xha h LYS 92 N -0.30 -0.04 -0.93 1.92 3.11 -1.52 -0.86 116.57 117.96 1xha h LYS 92 Ca 0.09 0.00 0.22 0.00 -2.81 0.00 0.00 60.65 58.15 1xha h LYS 92 Cb 0.43 0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 31.60 1xha h LYS 92 CO -0.28 0.49 0.61 -0.09 -2.81 0.00 0.00 179.45 177.38 1xha h ARG 93 N -0.59 0.37 0.04 1.90 2.43 -1.31 -0.83 114.38 116.39 1xha h ARG 93 Ca -0.00 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1xha h ARG 93 Cb 0.55 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1xha h ARG 93 CO 0.01 0.25 -0.55 0.82 -1.51 0.00 0.00 179.97 178.98 1xha h ILE 94 N 0.38 1.50 -0.81 1.20 2.04 -0.71 -3.15 117.51 117.96 1xha h ILE 94 Ca 0.49 -2.36 0.07 0.00 1.00 0.00 0.00 64.86 64.06 1xha h ILE 94 Cb 1.26 3.07 -0.06 0.00 -0.74 0.00 0.00 36.82 40.34 1xha h ILE 94 CO -0.19 0.59 0.48 -0.07 0.00 0.00 0.00 178.15 178.97 1xha h LEU 95 N -0.80 0.73 -1.15 1.44 3.38 -0.79 -0.73 115.31 117.39 1xha h LEU 95 Ca -0.13 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1xha h LEU 95 Cb 1.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1xha h LEU 95 CO -0.00 0.45 -0.36 0.06 0.09 0.00 0.00 178.44 178.69 1xha h GLN 96 N 0.86 0.00 0.00 1.13 -0.00 -1.27 -3.04 115.11 112.79 1xha h GLN 96 Ca 0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.91 1xha h GLN 96 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.70 1xha h GLN 96 CO -0.20 0.36 -1.18 0.00 -0.00 0.00 0.00 178.83 177.81 1xha h ALA 97 N 1.64 0.62 -2.34 0.06 0.00 -1.31 -3.48 119.26 114.46 1xha h ALA 97 Ca -0.00 -0.56 -0.49 0.00 0.00 0.00 0.00 54.91 53.85 1xha h ALA 97 Cb 0.77 0.16 0.06 0.00 0.00 0.00 0.00 17.79 18.78 1xha h ALA 97 CO 0.05 0.62 0.25 0.14 0.00 0.00 0.00 179.25 180.31 1xha s VAL 98 N -3.05 4.13 -0.30 0.00 -7.23 -0.35 -4.39 120.40 109.21 1xha s VAL 98 Ca -0.01 0.31 -0.06 0.00 -1.81 0.00 0.00 61.98 60.41 1xha s VAL 98 Cb 0.09 -3.64 0.18 0.00 0.56 0.00 0.00 36.38 33.57 1xha s VAL 98 CO 0.80 -0.72 0.79 0.21 -0.31 0.00 0.00 175.10 175.86 1xha s ASN 99 N -4.24 -0.99 -0.11 4.85 2.47 -1.26 -4.97 114.94 110.69 1xha s ASN 99 Ca 0.53 0.64 -0.30 0.00 0.42 0.00 0.00 52.86 54.15 1xha s ASN 99 Cb -0.11 1.84 0.09 0.00 -1.45 0.00 0.00 41.25 41.63 1xha s ASN 99 CO 0.48 -0.19 0.82 0.12 -3.72 0.00 0.00 177.10 174.61 1xha s PHE 100 N 2.89 -0.54 0.53 0.43 5.36 -1.26 -5.06 117.98 120.33 1xha s PHE 100 Ca 0.11 0.96 0.19 0.00 -0.96 0.00 0.00 56.93 57.23 1xha s PHE 100 Cb -0.13 0.42 1.33 0.00 -0.34 0.00 0.00 43.02 44.30 1xha s PHE 100 CO -0.17 -0.48 2.11 -1.35 -1.46 0.00 0.00 175.22 173.87 1xha h PRO 101 N 2.92 0.00 -0.55 10.12 0.11 -1.97 -2.16 132.00 140.47 1xha h PRO 101 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1xha h PRO 101 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xha h PRO 101 CO 0.34 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.32 1xha n PHE 102 N -4.46 1.74 -4.24 0.65 3.72 -1.26 -4.86 117.46 108.75 1xha n PHE 102 Ca 0.01 -0.71 -0.34 0.00 -0.05 0.00 0.00 57.45 56.35 1xha n PHE 102 Cb 0.23 -0.41 -0.12 0.00 -0.94 0.00 0.00 39.48 38.24 1xha n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1xha s LEU 103 N -2.49 3.23 -0.07 4.37 1.43 -0.81 -0.64 118.68 123.70 1xha s LEU 103 Ca 0.52 -0.18 -0.39 0.00 -1.03 0.00 0.00 54.13 53.05 1xha s LEU 103 Cb 0.38 -1.80 -0.17 0.00 0.03 0.00 0.00 46.19 44.63 1xha s LEU 103 CO 0.17 0.12 1.46 0.55 0.23 0.00 0.00 176.35 178.88 1xha n VAL 104 N 3.90 0.10 -2.84 -1.59 3.14 -0.85 -4.70 118.33 115.48 1xha n VAL 104 Ca -0.17 -0.02 -0.41 0.00 -2.96 0.00 0.00 64.34 60.78 1xha n VAL 104 Cb 0.52 -0.86 -0.04 0.00 -1.06 0.00 0.00 33.84 32.40 1xha n VAL 104 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1xha s LYS 105 N 1.54 4.52 -0.21 1.45 2.36 -1.26 -4.97 119.74 123.18 1xha s LYS 105 Ca 0.90 1.22 -0.25 0.00 -2.55 0.00 0.00 55.97 55.29 1xha s LYS 105 Cb -1.04 -3.44 -0.01 0.00 -1.05 0.00 0.00 37.83 32.28 1xha s LYS 105 CO 0.55 0.03 0.84 -1.17 1.55 0.00 0.00 175.35 177.15 1xha s LEU 106 N 0.79 4.13 -0.14 5.43 2.96 -1.26 -1.91 118.68 128.68 1xha s LEU 106 Ca 0.46 1.11 -0.10 0.00 -0.22 0.00 0.00 54.13 55.39 1xha s LEU 106 Cb -0.20 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 1xha s LEU 106 CO 0.25 -0.46 -0.07 -0.33 -1.32 0.00 0.00 176.35 174.42 1xha h GLU 107 N 7.50 0.00 -5.34 1.98 4.39 -1.05 -3.48 114.58 118.57 1xha h GLU 107 Ca -0.26 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.04 1xha h GLU 107 Cb 1.11 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.62 1xha h GLU 107 CO 0.86 0.16 -0.71 -0.06 -1.16 0.00 0.00 179.01 178.09 1xha s PHE 108 N -2.13 1.56 -0.01 4.33 0.08 -1.09 -5.02 117.98 115.69 1xha s PHE 108 Ca -0.14 -0.68 -0.12 0.00 0.12 0.00 0.00 56.93 56.11 1xha s PHE 108 Cb 0.02 -0.77 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 1xha s PHE 108 CO 0.24 0.22 0.25 -1.54 -0.10 0.00 0.00 175.22 174.29 1xha s SER 109 N -3.27 -0.12 0.36 1.36 1.04 -1.26 -1.11 113.70 110.69 1xha s SER 109 Ca 0.21 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 1xha s SER 109 Cb 0.01 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1xha s SER 109 CO 0.05 -0.41 0.80 0.72 0.98 0.00 0.00 173.24 175.39 1xha s PHE 110 N -1.28 0.08 0.03 5.02 -0.71 -0.78 -1.80 117.98 118.54 1xha s PHE 110 Ca -0.13 -0.71 -0.04 0.00 -1.04 0.00 0.00 56.93 55.01 1xha s PHE 110 Cb -0.06 0.82 -0.01 0.00 -1.21 0.00 0.00 43.02 42.55 1xha s PHE 110 CO 0.03 -1.48 0.05 -1.59 -1.34 0.00 0.00 175.22 170.89 1xha s LYS 111 N -2.49 0.48 0.34 1.99 -2.85 -1.26 -0.64 119.74 115.30 1xha s LYS 111 Ca 0.15 -0.68 0.03 0.00 -1.00 0.00 0.00 55.97 54.47 1xha s LYS 111 Cb -0.05 0.18 -0.01 0.00 -2.06 0.00 0.00 37.83 35.89 1xha s LYS 111 CO 0.10 -0.10 0.10 -0.40 0.10 0.00 0.00 175.35 175.14 1xha n ASP 112 N 1.12 1.50 -0.42 0.03 5.68 -0.80 -5.01 116.55 118.66 1xha n ASP 112 Ca -0.21 -2.72 0.37 0.00 -0.50 0.00 0.00 54.79 51.73 1xha n ASP 112 Cb 0.57 0.72 0.65 0.00 -1.14 0.00 0.00 41.12 41.92 1xha n ASP 112 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1xha h ASN 113 N 1.23 0.25 0.00 -1.12 -0.26 -1.93 -3.07 115.58 110.67 1xha h ASN 113 Ca -0.26 0.19 -0.42 0.00 -0.56 0.00 0.00 56.30 55.24 1xha h ASN 113 Cb 0.97 0.19 -0.07 0.00 -1.06 0.00 0.00 38.32 38.35 1xha h ASN 113 CO 0.42 -0.31 -2.47 -1.20 -1.06 0.00 0.00 177.43 172.81 1xha n SER 114 N -4.90 1.96 -4.34 5.81 7.64 -1.26 -1.98 113.62 116.55 1xha n SER 114 Ca 0.39 0.14 -0.18 0.00 1.01 0.00 0.00 58.87 60.23 1xha n SER 114 Cb 1.47 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 63.94 1xha n SER 114 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xha s ASN 115 N -7.01 2.49 0.06 6.43 0.01 -1.16 -1.88 114.94 113.88 1xha s ASN 115 Ca -0.36 -1.02 -0.06 0.00 -0.71 0.00 0.00 52.86 50.71 1xha s ASN 115 Cb 0.12 -0.12 -0.05 0.00 0.41 0.00 0.00 41.25 41.61 1xha s ASN 115 CO 0.52 -0.19 0.30 -0.76 -1.51 0.00 0.00 177.10 175.46 1xha s LEU 116 N -3.30 4.34 -0.02 0.60 1.43 0.02 -1.90 118.68 119.84 1xha s LEU 116 Ca 0.22 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1xha s LEU 116 Cb -0.00 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.32 1xha s LEU 116 CO 0.06 0.18 -0.06 -0.31 0.23 0.00 0.00 176.35 176.46 1xha s TYR 117 N -1.43 0.70 -0.08 0.29 1.51 0.19 -1.78 117.35 116.74 1xha s TYR 117 Ca 0.33 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 56.22 1xha s TYR 117 Cb -0.13 -0.54 0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1xha s TYR 117 CO 0.20 -0.10 -0.04 -1.64 -1.11 0.00 0.00 175.55 172.86 1xha s MET 118 N 0.38 1.06 -0.25 -0.62 -1.94 -0.79 -1.86 119.30 115.28 1xha s MET 118 Ca -0.05 -0.09 -0.06 0.00 -1.71 0.00 0.00 55.69 53.78 1xha s MET 118 Cb -0.09 -1.23 -0.02 0.00 2.01 0.00 0.00 34.83 35.51 1xha s MET 118 CO 0.00 -0.24 0.03 0.08 -0.01 0.00 0.00 175.02 174.88 1xha s VAL 119 N 1.67 3.94 0.28 -6.03 1.01 -0.27 -0.01 120.40 120.99 1xha s VAL 119 Ca 0.02 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1xha s VAL 119 Cb -0.13 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 1xha s VAL 119 CO -0.05 0.32 -0.06 0.00 0.00 0.00 0.00 175.10 175.30 1xha s MET 120 N 1.55 1.57 0.29 2.72 0.23 0.46 -0.38 119.30 125.74 1xha s MET 120 Ca 0.06 -1.79 -0.29 0.00 -1.03 0.00 0.00 55.69 52.63 1xha s MET 120 Cb -0.15 -1.21 -0.13 0.00 -1.53 0.00 0.00 34.83 31.81 1xha s MET 120 CO 0.01 0.05 1.30 -1.91 -2.03 0.00 0.00 175.02 172.44 1xha n GLU 121 N -0.60 1.97 -2.72 3.16 2.13 -0.80 -1.13 120.64 122.65 1xha n GLU 121 Ca -0.05 0.70 -0.42 0.00 0.66 0.00 0.00 57.16 58.04 1xha n GLU 121 Cb 0.63 -2.28 -0.03 0.00 0.27 0.00 0.00 31.44 30.03 1xha n GLU 121 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1xha s TYR 122 N -0.65 3.66 -0.52 4.31 5.04 -1.26 -4.41 117.35 123.52 1xha s TYR 122 Ca 0.61 1.69 -0.03 0.00 -2.44 0.00 0.00 57.07 56.90 1xha s TYR 122 Cb -0.62 -3.11 0.14 0.00 0.35 0.00 0.00 41.96 38.71 1xha s TYR 122 CO 0.57 -0.01 0.33 0.00 -1.34 0.00 0.00 175.55 175.10 1xha s ALA 123 N 1.02 3.38 -1.55 3.97 0.00 -1.26 -4.94 121.76 122.38 1xha s ALA 123 Ca 0.52 -2.90 0.17 0.00 0.00 0.00 0.00 51.96 49.75 1xha s ALA 123 Cb -0.21 -2.57 0.90 0.00 0.00 0.00 0.00 23.12 21.24 1xha s ALA 123 CO 0.28 -1.96 1.49 -0.35 0.00 0.00 0.00 175.76 175.22 1xha n PRO 124 N 4.07 0.31 0.19 0.00 -0.04 -1.26 -2.62 135.00 135.64 1xha n PRO 124 Ca 0.02 0.10 0.14 0.00 -0.04 0.00 0.00 63.50 63.73 1xha n PRO 124 Cb 0.40 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.90 1xha n PRO 124 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1xha h GLY 125 N 2.79 0.00 -0.21 0.55 0.00 -1.54 -3.40 103.07 101.26 1xha h GLY 125 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1xha h GLY 125 CO 0.00 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.12 1xha n GLY 126 N 0.20 -1.94 3.79 4.60 0.00 -1.08 -4.70 105.19 106.06 1xha n GLY 126 Ca 0.02 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1xha n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xha s GLU 127 N -0.36 4.51 0.27 1.61 2.02 -1.26 -0.91 118.70 124.57 1xha s GLU 127 Ca 0.00 1.18 -0.03 0.00 0.02 0.00 0.00 54.97 56.14 1xha s GLU 127 Cb 0.00 -2.94 0.58 0.00 0.10 0.00 0.00 34.13 31.87 1xha s GLU 127 CO 0.00 0.38 1.62 1.98 0.02 0.00 0.00 175.26 179.26 1xha h MET 128 N 3.52 0.10 -0.90 1.61 1.85 -0.91 -1.54 114.93 118.65 1xha h MET 128 Ca -0.47 -0.01 0.13 0.00 -0.61 0.00 0.00 59.70 58.74 1xha h MET 128 Cb 1.19 -0.02 -0.14 0.00 0.43 0.00 0.00 31.60 33.07 1xha h MET 128 CO 0.65 0.07 -0.39 0.34 -0.40 0.00 0.00 176.91 177.18 1xha n PHE 129 N -5.36 -0.07 -0.14 1.39 7.35 -0.57 -1.04 117.46 119.02 1xha n PHE 129 Ca 0.18 1.12 -0.08 0.00 -0.76 0.00 0.00 57.45 57.91 1xha n PHE 129 Cb 0.60 -0.78 0.01 0.00 0.35 0.00 0.00 39.48 39.66 1xha n PHE 129 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1xha h SER 130 N 0.00 0.49 0.82 -2.13 0.02 -1.59 -1.87 113.55 109.29 1xha h SER 130 Ca 0.28 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1xha h SER 130 Cb 0.50 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1xha h SER 130 CO -0.89 0.35 -0.46 0.45 -1.14 0.00 0.00 176.83 175.15 1xha h HIS 131 N 0.58 0.00 -0.45 3.45 3.86 -1.44 -2.82 115.15 118.34 1xha h HIS 131 Ca 0.16 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1xha h HIS 131 Cb -0.06 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1xha h HIS 131 CO -0.05 0.46 -0.14 1.25 0.86 0.00 0.00 177.93 180.32 1xha h LEU 132 N 0.00 0.83 0.18 2.43 5.85 -0.29 -2.60 115.31 121.70 1xha h LEU 132 Ca -0.00 -0.27 -0.31 0.00 0.84 0.00 0.00 57.88 58.14 1xha h LEU 132 Cb 1.00 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.82 1xha h LEU 132 CO 0.06 0.98 -1.44 0.03 -0.34 0.00 0.00 178.44 177.73 1xha h ARG 133 N 0.75 0.37 -0.27 1.25 2.47 -1.44 -2.09 114.38 115.42 1xha h ARG 133 Ca 0.12 -0.64 -0.02 0.00 -1.26 0.00 0.00 59.98 58.18 1xha h ARG 133 Cb 0.64 0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 29.19 1xha h ARG 133 CO 0.05 1.29 0.10 -0.09 0.56 0.00 0.00 179.97 181.87 1xha h ARG 134 N 0.10 0.41 0.00 0.04 2.43 -1.51 -3.18 114.38 112.68 1xha h ARG 134 Ca -0.22 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 1xha h ARG 134 Cb 2.06 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1xha h ARG 134 CO 0.22 0.45 -0.40 0.82 -1.51 0.00 0.00 179.97 179.55 1xha h ILE 135 N 0.28 0.14 0.00 1.20 2.04 -1.54 -3.48 117.51 116.15 1xha h ILE 135 Ca 0.09 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1xha h ILE 135 Cb 0.20 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1xha h ILE 135 CO -0.01 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.84 1xha n GLY 136 N 1.15 2.41 3.78 5.37 0.00 -0.78 -4.93 105.19 112.18 1xha n GLY 136 Ca 0.02 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 1xha n GLY 136 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xha s ARG 137 N 0.00 1.69 0.09 1.61 1.70 -1.25 -3.77 118.95 119.03 1xha s ARG 137 Ca 0.00 -0.90 0.02 0.00 -0.47 0.00 0.00 55.73 54.38 1xha s ARG 137 Cb 0.00 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 1xha s ARG 137 CO 0.00 -0.77 0.14 -0.06 -1.08 0.00 0.00 175.30 173.53 1xha s PHE 138 N -3.89 3.29 0.68 5.89 0.08 -0.62 -4.99 117.98 118.42 1xha s PHE 138 Ca 0.09 0.11 -0.12 0.00 0.12 0.00 0.00 56.93 57.14 1xha s PHE 138 Cb -0.05 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1xha s PHE 138 CO 0.03 0.54 1.06 -1.54 -0.10 0.00 0.00 175.22 175.21 1xha s SER 139 N -2.60 5.40 0.17 1.36 1.04 -1.26 -4.29 113.70 113.52 1xha s SER 139 Ca 0.31 1.68 -0.15 0.00 0.48 0.00 0.00 55.95 58.27 1xha s SER 139 Cb -0.12 -2.51 0.10 0.00 0.10 0.00 0.00 66.02 63.59 1xha s SER 139 CO 0.24 -1.43 1.76 -0.33 0.98 0.00 0.00 173.24 174.47 1xha h GLU 140 N -0.49 0.34 -0.55 4.02 5.08 -1.95 0.15 114.58 121.16 1xha h GLU 140 Ca -0.44 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 57.97 1xha h GLU 140 Cb 1.21 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1xha h GLU 140 CO 0.56 0.22 0.37 -1.00 -1.00 0.00 0.00 179.01 178.17 1xha h PRO 141 N 0.35 0.43 -0.21 2.33 0.13 -1.98 0.23 132.00 133.27 1xha h PRO 141 Ca 0.19 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 1xha h PRO 141 Cb 0.16 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 1xha h PRO 141 CO -0.18 0.28 -0.54 1.25 -0.23 0.00 0.00 178.00 178.59 1xha h HIS 142 N 0.44 0.76 -0.10 1.56 2.76 -1.58 -1.92 115.15 117.07 1xha h HIS 142 Ca 0.25 -0.27 -0.20 0.00 -2.20 0.00 0.00 60.37 57.95 1xha h HIS 142 Cb 0.41 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1xha h HIS 142 CO -0.00 1.01 -0.76 0.00 -1.30 0.00 0.00 177.93 176.88 1xha h ALA 143 N 0.93 0.48 -0.08 5.26 0.00 0.10 -3.23 119.26 122.72 1xha h ALA 143 Ca 0.01 -0.61 -0.17 0.00 0.00 0.00 0.00 54.91 54.14 1xha h ALA 143 Cb 1.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1xha h ALA 143 CO 0.10 0.74 -0.67 -0.09 0.00 0.00 0.00 179.25 179.33 1xha h ARG 144 N 0.36 0.35 -0.47 0.00 2.43 -0.54 0.01 114.38 116.53 1xha h ARG 144 Ca -0.04 -0.27 0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1xha h ARG 144 Cb 1.36 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.92 1xha h ARG 144 CO 0.14 0.90 0.25 0.35 -1.51 0.00 0.00 179.97 180.10 1xha h PHE 145 N 0.25 0.46 -0.35 2.20 3.57 -1.40 -2.00 116.94 119.67 1xha h PHE 145 Ca -0.02 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1xha h PHE 145 Cb 1.22 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1xha h PHE 145 CO 0.04 0.24 -0.35 1.88 -2.23 0.00 0.00 178.31 177.89 1xha h TYR 146 N 0.50 0.95 -0.50 0.41 0.05 -1.49 -3.25 116.97 113.64 1xha h TYR 146 Ca 0.20 -0.27 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 1xha h TYR 146 Cb 0.08 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1xha h TYR 146 CO -0.09 1.04 -0.06 0.00 -1.05 0.00 0.00 178.16 178.00 1xha h ALA 147 N 0.93 0.68 -0.92 3.88 0.00 -0.65 -2.43 119.26 120.76 1xha h ALA 147 Ca 0.06 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1xha h ALA 147 Cb 0.90 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1xha h ALA 147 CO 0.08 0.54 0.60 0.00 0.00 0.00 0.00 179.25 180.47 1xha h ALA 148 N 0.91 1.46 -0.48 0.00 0.00 -1.45 0.25 119.26 119.94 1xha h ALA 148 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1xha h ALA 148 Cb 0.60 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1xha h ALA 148 CO 0.04 0.43 -0.03 1.96 0.00 0.00 0.00 179.25 181.65 1xha h GLN 149 N 1.10 0.82 -0.33 0.00 4.20 -1.48 -2.40 115.11 117.02 1xha h GLN 149 Ca 0.38 -0.24 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 1xha h GLN 149 Cb 0.10 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1xha h GLN 149 CO -0.13 0.84 -0.48 0.82 -0.67 0.00 0.00 178.83 179.21 1xha h ILE 150 N 0.76 1.27 -0.19 2.54 1.08 -0.90 -1.74 117.51 120.33 1xha h ILE 150 Ca 0.14 -1.66 0.02 0.00 -0.39 0.00 0.00 64.86 62.98 1xha h ILE 150 Cb 0.49 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 1xha h ILE 150 CO 0.02 0.55 0.03 0.58 -0.69 0.00 0.00 178.15 178.65 1xha h VAL 151 N 0.71 0.91 -0.03 1.67 2.07 -0.42 -1.38 116.25 119.78 1xha h VAL 151 Ca 0.03 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1xha h VAL 151 Cb 1.08 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1xha h VAL 151 CO 0.11 0.02 -0.45 -0.07 0.02 0.00 0.00 177.57 177.20 1xha h LEU 152 N 0.11 0.08 -0.80 2.57 3.38 -1.46 -1.74 115.31 117.44 1xha h LEU 152 Ca 0.08 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1xha h LEU 152 Cb 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xha h LEU 152 CO -0.11 0.52 -0.12 0.74 0.09 0.00 0.00 178.44 179.56 1xha h THR 153 N 0.06 1.26 0.09 0.22 2.02 -0.79 -1.77 112.91 114.00 1xha h THR 153 Ca 0.00 -1.18 -0.26 0.00 0.77 0.00 0.00 66.41 65.75 1xha h THR 153 Cb 0.82 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1xha h THR 153 CO 0.06 0.40 -1.15 -0.26 0.37 0.00 0.00 175.52 174.95 1xha h PHE 154 N 0.70 0.55 -0.70 3.16 0.04 -1.13 -1.42 116.94 118.14 1xha h PHE 154 Ca 0.12 -0.37 0.08 0.00 2.80 0.00 0.00 57.97 60.60 1xha h PHE 154 Cb 0.60 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.65 1xha h PHE 154 CO 0.03 1.24 0.37 1.49 -0.60 0.00 0.00 178.31 180.84 1xha h GLU 155 N 0.13 0.63 0.80 1.51 4.81 -1.12 0.28 114.58 121.61 1xha h GLU 155 Ca -0.12 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1xha h GLU 155 Cb 1.84 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 31.09 1xha h GLU 155 CO 0.19 0.42 -0.38 -0.92 -0.73 0.00 0.00 179.01 177.59 1xha h TYR 156 N 0.65 -0.99 -0.47 0.92 3.20 -1.19 -2.46 116.97 116.62 1xha h TYR 156 Ca 0.33 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 1xha h TYR 156 Cb 0.29 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1xha h TYR 156 CO -0.09 -0.61 0.23 -0.07 -1.64 0.00 0.00 178.16 175.98 1xha h LEU 157 N -1.10 0.62 -1.40 2.82 3.38 -0.82 -1.96 115.31 116.85 1xha h LEU 157 Ca -0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1xha h LEU 157 Cb 0.82 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1xha h LEU 157 CO 0.18 0.57 0.09 0.45 0.09 0.00 0.00 178.44 179.81 1xha h HIS 158 N 0.62 0.49 -0.03 1.13 3.86 -0.53 0.86 115.15 121.54 1xha h HIS 158 Ca 0.16 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1xha h HIS 158 Cb 0.11 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1xha h HIS 158 CO -0.01 0.43 -0.13 0.66 0.86 0.00 0.00 177.93 179.74 1xha h SER 159 N 0.49 0.04 -0.23 2.45 4.64 -0.86 -1.60 113.55 118.48 1xha h SER 159 Ca 0.12 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1xha h SER 159 Cb 0.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1xha h SER 159 CO -0.00 0.18 0.00 0.18 -0.87 0.00 0.00 176.83 176.32 1xha n LEU 160 N -4.36 1.48 -1.57 5.97 7.99 -0.50 -4.89 117.00 121.12 1xha n LEU 160 Ca -0.02 -0.74 -0.19 0.00 -0.01 0.00 0.00 56.01 55.05 1xha n LEU 160 Cb 0.21 -0.23 -0.07 0.00 -0.11 0.00 0.00 43.42 43.23 1xha n LEU 160 CO 0.36 0.33 -0.19 0.47 -1.51 0.00 0.00 177.39 176.85 1xha n ASP 161 N 0.19 -5.32 -4.89 -1.43 8.00 -0.60 -4.85 116.55 107.65 1xha n ASP 161 Ca 0.08 0.40 -0.30 0.00 0.71 0.00 0.00 54.79 55.67 1xha n ASP 161 Cb 0.26 -4.48 -0.04 0.00 -0.02 0.00 0.00 41.12 36.84 1xha n ASP 161 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xha s LEU 162 N -4.51 4.16 -0.03 0.64 1.43 0.18 -0.69 118.68 119.86 1xha s LEU 162 Ca 0.00 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 1xha s LEU 162 Cb 0.00 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1xha s LEU 162 CO 0.00 -0.08 -0.11 -0.63 0.23 0.00 0.00 176.35 175.76 1xha s ILE 163 N -1.87 0.94 -0.20 -0.59 1.01 -0.33 -3.67 121.20 116.49 1xha s ILE 163 Ca 0.44 -0.43 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 1xha s ILE 163 Cb -0.11 -0.84 -0.20 0.00 0.01 0.00 0.00 42.46 41.32 1xha s ILE 163 CO 0.26 0.29 0.26 0.22 0.00 0.00 0.00 174.94 175.97 1xha h TYR 164 N 6.46 0.03 -0.15 3.97 3.20 -1.87 -2.12 116.97 126.49 1xha h TYR 164 Ca -0.33 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.46 1xha h TYR 164 Cb 1.17 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1xha h TYR 164 CO 0.45 1.47 -0.06 0.54 -1.64 0.00 0.00 178.16 178.92 1xha n ARG 165 N -4.40 -1.07 -2.72 1.82 1.74 -1.26 -3.05 116.66 107.71 1xha n ARG 165 Ca -0.31 0.45 -0.05 0.00 -0.77 0.00 0.00 57.85 57.18 1xha n ARG 165 Cb 0.69 -4.35 0.08 0.00 -1.02 0.00 0.00 32.46 27.85 1xha n ARG 165 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xha n ASP 166 N -0.42 0.12 -4.74 0.55 2.03 -1.26 -4.38 116.55 108.45 1xha n ASP 166 Ca -0.03 -2.38 -0.41 0.00 0.52 0.00 0.00 54.79 52.48 1xha n ASP 166 Cb 0.32 0.08 -0.03 0.00 -0.72 0.00 0.00 41.12 40.77 1xha n ASP 166 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1xha s LEU 167 N -3.50 4.44 0.00 -2.67 2.96 -1.26 -4.77 118.68 113.87 1xha s LEU 167 Ca 0.22 2.25 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1xha s LEU 167 Cb 0.41 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.49 1xha s LEU 167 CO -0.04 -0.39 0.00 2.29 -1.32 0.00 0.00 176.35 176.88 1xha n LYS 168 N 2.54 0.00 0.23 1.98 2.85 -1.26 -4.87 118.16 119.63 1xha n LYS 168 Ca 0.05 0.00 0.16 0.00 -1.05 0.00 0.00 58.31 57.47 1xha n LYS 168 Cb 0.44 0.00 0.71 0.00 -0.65 0.00 0.00 35.03 35.53 1xha n LYS 168 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1xha h PRO 169 N 0.00 0.00 -0.03 -1.58 0.11 -1.94 -0.79 132.00 127.77 1xha h PRO 169 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 1xha h PRO 169 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1xha h PRO 169 CO 0.00 0.00 -0.48 0.93 -0.21 0.00 0.00 178.00 178.24 1xha h GLU 170 N 0.00 0.07 -0.63 1.05 3.07 -1.94 -1.47 114.58 114.73 1xha h GLU 170 Ca 0.09 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1xha h GLU 170 Cb 1.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1xha h GLU 170 CO -0.00 0.54 0.00 0.09 -1.40 0.00 0.00 179.01 178.24 1xha n ASN 171 N -3.96 5.14 -3.91 1.42 3.02 -0.30 -4.75 115.26 111.90 1xha n ASN 171 Ca -0.02 -2.66 -0.30 0.00 -0.03 0.00 0.00 54.58 51.57 1xha n ASN 171 Cb 0.51 -0.63 -0.14 0.00 -0.61 0.00 0.00 39.78 38.91 1xha n ASN 171 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xha s LEU 172 N -2.23 3.99 0.45 3.41 1.43 -1.13 -1.26 118.68 123.34 1xha s LEU 172 Ca 0.52 -2.56 -0.22 0.00 -1.03 0.00 0.00 54.13 50.84 1xha s LEU 172 Cb 0.36 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 45.03 1xha s LEU 172 CO 0.20 -0.30 1.05 -0.04 0.23 0.00 0.00 176.35 177.49 1xha s MET 173 N 0.36 3.96 -0.25 1.70 -1.94 -0.75 -0.63 119.30 121.74 1xha s MET 173 Ca 0.15 1.46 -0.08 0.00 -1.71 0.00 0.00 55.69 55.50 1xha s MET 173 Cb -0.23 -2.31 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 1xha s MET 173 CO -0.05 -0.31 0.09 0.42 -0.01 0.00 0.00 175.02 175.16 1xha s ILE 174 N -1.81 4.52 0.85 2.53 -1.09 -0.09 -0.17 121.20 125.95 1xha s ILE 174 Ca 0.63 -0.10 -0.09 0.00 -2.23 0.00 0.00 60.65 58.86 1xha s ILE 174 Cb -0.20 -3.12 0.18 0.00 -1.58 0.00 0.00 42.46 37.74 1xha s ILE 174 CO 0.24 0.32 1.16 -0.90 -1.23 0.00 0.00 174.94 174.53 1xha n ASP 175 N 4.92 0.70 0.30 3.58 5.68 -0.17 -1.58 116.55 129.99 1xha n ASP 175 Ca -0.16 -1.79 0.20 0.00 -0.50 0.00 0.00 54.79 52.55 1xha n ASP 175 Cb 0.52 -0.83 1.00 0.00 -1.14 0.00 0.00 41.12 40.67 1xha n ASP 175 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1xha h GLN 176 N 0.00 0.00 -0.11 0.11 4.15 -1.92 0.03 115.11 117.37 1xha h GLN 176 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1xha h GLN 176 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1xha h GLN 176 CO 0.32 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 178.26 1xha n GLN 177 N -3.00 2.33 -0.80 1.69 3.00 -1.26 -4.77 117.38 114.56 1xha n GLN 177 Ca -0.02 -1.95 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 1xha n GLN 177 Cb 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.91 1xha n GLN 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xha n GLY 178 N 1.38 0.72 3.93 1.08 0.00 -0.00 -4.43 105.19 107.87 1xha n GLY 178 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1xha n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xha s TYR 179 N -2.64 3.26 0.22 1.61 1.51 -1.26 -4.79 117.35 115.26 1xha s TYR 179 Ca 0.00 0.48 -0.24 0.00 -1.01 0.00 0.00 57.07 56.30 1xha s TYR 179 Cb 0.00 -2.53 -0.09 0.00 -0.11 0.00 0.00 41.96 39.23 1xha s TYR 179 CO 0.00 -0.59 0.81 0.42 -1.11 0.00 0.00 175.55 175.07 1xha s ILE 180 N -2.79 4.37 -0.29 2.71 1.01 -1.26 -0.99 121.20 123.96 1xha s ILE 180 Ca 0.51 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.79 1xha s ILE 180 Cb -0.10 -4.04 0.09 0.00 0.01 0.00 0.00 42.46 38.42 1xha s ILE 180 CO 0.42 0.35 0.06 -1.10 0.00 0.00 0.00 174.94 174.66 1xha s GLN 181 N -1.59 1.00 0.19 2.79 -1.52 0.77 -4.31 119.66 116.99 1xha s GLN 181 Ca 0.41 -1.15 -0.32 0.00 -1.95 0.00 0.00 55.36 52.35 1xha s GLN 181 Cb -0.20 -2.33 -0.11 0.00 -0.22 0.00 0.00 33.01 30.14 1xha s GLN 181 CO 0.25 -0.88 1.70 0.08 -0.25 0.00 0.00 175.29 176.18 1xha s VAL 182 N 1.47 2.19 0.26 1.09 1.01 0.19 -1.81 120.40 124.79 1xha s VAL 182 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1xha s VAL 182 Cb -0.18 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 1xha s VAL 182 CO -0.17 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.29 1xha n THR 183 N 4.03 0.00 -2.69 3.92 -2.24 -0.39 -2.00 114.28 114.91 1xha n THR 183 Ca 0.16 -1.23 -0.01 0.00 -2.27 0.00 0.00 64.05 60.70 1xha n THR 183 Cb 0.36 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1xha n THR 183 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xha n ASP 184 N -1.19 -6.51 -1.35 3.42 8.00 -1.26 -4.86 116.55 112.81 1xha n ASP 184 Ca -0.10 0.01 -0.02 0.00 0.71 0.00 0.00 54.79 55.38 1xha n ASP 184 Cb 0.33 -4.35 0.16 0.00 -0.02 0.00 0.00 41.12 37.23 1xha n ASP 184 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xha n PHE 185 N -1.43 1.21 -0.32 1.24 3.01 -1.26 -4.49 117.46 115.42 1xha n PHE 185 Ca 0.01 -0.67 0.05 0.00 1.01 0.00 0.00 57.45 57.86 1xha n PHE 185 Cb 0.48 -0.42 0.25 0.00 -0.01 0.00 0.00 39.48 39.78 1xha n PHE 185 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1xha h GLY 186 N 3.76 1.39 -0.10 1.37 0.00 -1.90 -1.95 103.07 105.63 1xha h GLY 186 Ca 0.12 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1xha h GLY 186 CO 0.36 0.26 -0.11 1.04 0.00 0.00 0.00 176.54 178.08 1xha n LEU 187 N -4.52 1.25 -4.78 3.11 4.77 -1.26 -4.62 117.00 110.95 1xha n LEU 187 Ca 0.15 -0.38 -0.36 0.00 -0.03 0.00 0.00 56.01 55.40 1xha n LEU 187 Cb 0.25 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1xha n LEU 187 CO 0.31 0.22 0.79 0.00 -1.33 0.00 0.00 177.39 177.38 1xha s ALA 188 N -2.23 2.86 -0.14 -1.18 0.00 -0.73 -4.65 121.76 115.69 1xha s ALA 188 Ca 0.32 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 53.03 1xha s ALA 188 Cb 0.20 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 20.02 1xha s ALA 188 CO 0.42 -0.62 0.33 0.21 0.00 0.00 0.00 175.76 176.10 1xha s LYS 189 N -2.97 0.32 -0.19 0.00 2.20 -0.80 -4.63 119.74 113.67 1xha s LYS 189 Ca 0.67 0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 56.65 1xha s LYS 189 Cb -0.25 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.04 1xha s LYS 189 CO 0.29 -0.14 0.86 0.50 -0.36 0.00 0.00 175.35 176.51 1xha s ARG 190 N 1.13 4.27 -0.23 4.03 3.52 -1.26 -1.18 118.95 129.23 1xha s ARG 190 Ca -0.08 1.05 -0.10 0.00 -0.13 0.00 0.00 55.73 56.47 1xha s ARG 190 Cb -0.08 -3.60 0.08 0.00 -1.56 0.00 0.00 34.95 29.80 1xha s ARG 190 CO -0.09 -0.41 0.52 0.08 -0.81 0.00 0.00 175.30 174.60 1xha s VAL 191 N 2.42 -0.36 -0.20 7.11 1.01 0.13 -5.00 120.40 125.52 1xha s VAL 191 Ca 0.39 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 1xha s VAL 191 Cb -0.16 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1xha s VAL 191 CO 0.11 0.03 0.15 -0.54 0.00 0.00 0.00 175.10 174.85 1xha s LYS 192 N 2.05 4.19 3.05 2.72 1.02 -1.26 -4.71 119.74 126.80 1xha s LYS 192 Ca -0.07 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1xha s LYS 192 Cb -0.09 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 1xha s LYS 192 CO -0.16 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1xha n GLY 193 N 3.56 -0.28 3.89 -3.33 0.00 -1.26 -4.96 105.19 102.82 1xha n GLY 193 Ca -0.15 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 1xha n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xha s ARG 194 N 0.00 3.65 0.20 1.61 0.52 -1.26 -4.79 118.95 118.88 1xha s ARG 194 Ca 0.00 -0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.21 1xha s ARG 194 Cb 0.00 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 1xha s ARG 194 CO 0.00 0.41 0.02 -0.08 0.02 0.00 0.00 175.30 175.67 1xha s THR 195 N -1.74 0.76 -0.08 0.02 -1.32 -0.66 -4.92 115.64 107.68 1xha s THR 195 Ca 0.42 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.91 1xha s THR 195 Cb -0.12 -2.27 0.02 0.00 -1.51 0.00 0.00 72.50 68.63 1xha s THR 195 CO 0.25 -0.35 -0.09 0.26 -2.21 0.00 0.00 174.62 172.47 1xha s TRP 196 N -3.61 1.35 -0.30 9.09 0.51 -1.26 -0.67 118.94 124.05 1xha s TRP 196 Ca 0.27 -0.57 -0.01 0.00 -2.12 0.00 0.00 56.10 53.68 1xha s TRP 196 Cb 0.06 -1.08 0.10 0.00 -0.81 0.00 0.00 33.47 31.74 1xha s TRP 196 CO 0.07 -0.37 0.10 -0.51 -0.51 0.00 0.00 176.95 175.73 1xha s LEU 198 N 1.18 1.92 0.16 2.99 1.43 -1.26 -4.83 118.68 120.27 1xha s LEU 198 Ca -0.05 -1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 51.39 1xha s LEU 198 Cb -0.14 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1xha s LEU 198 CO -0.02 -0.41 0.33 0.00 0.23 0.00 0.00 176.35 176.47 1xha n GLY 200 N -0.23 1.12 3.73 0.00 0.00 -1.26 -4.97 105.19 103.58 1xha n GLY 200 Ca -0.09 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.37 1xha n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xha s THR 201 N -1.10 4.90 0.23 2.61 2.01 -1.26 -4.98 115.64 118.05 1xha s THR 201 Ca 0.00 1.56 -0.16 0.00 0.31 0.00 0.00 61.69 63.39 1xha s THR 201 Cb 0.00 -4.09 0.26 0.00 0.01 0.00 0.00 72.50 68.68 1xha s THR 201 CO 0.00 0.30 1.56 -0.65 -0.69 0.00 0.00 174.62 175.14 1xha h PRO 202 N 6.24 -0.03 -0.79 4.92 0.11 -1.97 -1.61 132.00 138.87 1xha h PRO 202 Ca -0.42 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.80 1xha h PRO 202 Cb 1.20 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1xha h PRO 202 CO 0.73 -0.02 0.51 0.93 -0.21 0.00 0.00 178.00 179.95 1xha h GLU 203 N -0.03 0.62 -0.02 1.05 3.07 -1.94 -2.62 114.58 114.71 1xha h GLU 203 Ca 0.35 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1xha h GLU 203 Cb 0.61 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1xha h GLU 203 CO -0.93 0.41 -0.30 0.66 -1.40 0.00 0.00 179.01 177.45 1xha n TYR 204 N -4.51 0.00 -2.07 4.33 4.02 -0.67 -4.75 117.16 113.52 1xha n TYR 204 Ca 0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.61 1xha n TYR 204 Cb 0.39 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.65 1xha n TYR 204 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1xha s LEU 205 N -2.37 4.39 0.52 7.72 1.43 -0.85 -4.42 118.68 125.10 1xha s LEU 205 Ca 0.23 2.56 -0.18 0.00 -1.03 0.00 0.00 54.13 55.72 1xha s LEU 205 Cb 0.19 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.72 1xha s LEU 205 CO 0.50 -0.67 1.01 0.00 0.23 0.00 0.00 176.35 177.42 1xha s ALA 206 N 0.28 2.94 0.26 4.21 0.00 -1.26 -4.94 121.76 123.25 1xha s ALA 206 Ca 0.60 0.35 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 1xha s ALA 206 Cb -0.40 -3.18 0.30 0.00 0.00 0.00 0.00 23.12 19.84 1xha s ALA 206 CO 0.39 -0.34 1.93 -1.35 0.00 0.00 0.00 175.76 176.39 1xha h PRO 207 N 1.07 1.28 0.00 0.00 0.11 -1.95 -2.06 132.00 130.45 1xha h PRO 207 Ca -0.48 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1xha h PRO 207 Cb 1.20 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xha h PRO 207 CO 0.60 0.85 0.00 1.05 -0.21 0.00 0.00 178.00 180.28 1xha h GLU 208 N 1.32 0.00 0.04 1.05 9.09 -1.93 -0.85 114.58 123.29 1xha h GLU 208 Ca 0.37 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.65 1xha h GLU 208 Cb -0.11 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.00 1xha h GLU 208 CO -0.09 0.00 -0.55 0.82 0.05 0.00 0.00 179.01 179.24 1xha h ILE 209 N 0.00 1.50 -0.61 -1.06 2.04 -1.76 -1.76 117.51 115.86 1xha h ILE 209 Ca 0.00 -2.18 -0.00 0.00 1.00 0.00 0.00 64.86 63.67 1xha h ILE 209 Cb 0.42 2.84 -0.03 0.00 -0.74 0.00 0.00 36.82 39.31 1xha h ILE 209 CO 0.00 0.62 0.36 0.40 0.00 0.00 0.00 178.15 179.53 1xha h ILE 210 N -0.31 1.18 -0.37 -0.67 2.04 -1.09 -2.93 117.51 115.36 1xha h ILE 210 Ca -0.08 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1xha h ILE 210 Cb 1.31 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1xha h ILE 210 CO 0.11 0.19 0.00 0.18 0.00 0.00 0.00 178.15 178.62 1xha n LEU 211 N -4.41 2.17 -3.88 1.44 4.77 -0.41 -4.91 117.00 111.77 1xha n LEU 211 Ca 0.06 -1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 54.66 1xha n LEU 211 Cb 0.08 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1xha n LEU 211 CO 0.37 0.49 0.11 -1.20 -1.33 0.00 0.00 177.39 175.83 1xha n SER 212 N 0.57 -4.72 0.11 -1.43 7.64 -1.11 -4.88 113.62 109.80 1xha n SER 212 Ca 0.13 -0.76 0.05 0.00 1.01 0.00 0.00 58.87 59.29 1xha n SER 212 Cb 0.36 -3.99 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 1xha n SER 212 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1xha h LYS 213 N -2.13 0.00 -0.29 1.43 1.63 -1.58 -3.50 116.57 112.13 1xha h LYS 213 Ca -0.58 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.22 1xha h LYS 213 Cb 1.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 1xha h LYS 213 CO 0.66 0.27 0.00 0.41 -3.45 0.00 0.00 179.45 177.33 1xha n GLY 214 N 1.26 -2.82 3.05 5.01 0.00 -1.26 -5.09 105.19 105.33 1xha n GLY 214 Ca -0.02 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 1xha n GLY 214 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xha n TYR 215 N 0.08 -1.06 -3.08 1.61 4.11 0.16 -4.90 117.16 114.07 1xha n TYR 215 Ca 0.00 -2.39 0.00 0.00 -0.00 0.00 0.00 57.90 55.51 1xha n TYR 215 Cb 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 1xha n TYR 215 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1xha n ASN 216 N -1.72 0.00 -0.14 9.48 0.23 -1.26 -1.66 115.26 120.19 1xha n ASN 216 Ca 0.04 -0.52 0.12 0.00 -0.53 0.00 0.00 54.58 53.69 1xha n ASN 216 Cb 0.55 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.47 1xha n ASN 216 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xha n LYS 217 N 0.00 -0.03 0.31 -3.83 5.02 -1.26 -2.12 118.16 116.26 1xha n LYS 217 Ca 0.00 0.59 0.20 0.00 -2.02 0.00 0.00 58.31 57.08 1xha n LYS 217 Cb 0.00 -1.04 1.00 0.00 -0.02 0.00 0.00 35.03 34.97 1xha n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xha h ALA 218 N 0.84 1.06 0.00 7.82 0.00 -1.95 -0.56 119.26 126.47 1xha h ALA 218 Ca 0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1xha h ALA 218 Cb 0.86 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xha h ALA 218 CO -0.34 0.02 -0.12 -0.39 0.00 0.00 0.00 179.25 178.42 1xha h VAL 219 N 0.00 0.62 -0.08 0.00 -1.51 -1.85 -1.12 116.25 112.31 1xha h VAL 219 Ca -0.00 -0.52 -0.12 0.00 -1.23 0.00 0.00 66.70 64.83 1xha h VAL 219 Cb 0.18 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 1xha h VAL 219 CO 0.00 0.12 -0.49 0.44 -1.23 0.00 0.00 177.57 176.41 1xha h ASP 220 N 0.00 0.22 0.48 4.19 3.32 -1.33 -2.26 116.42 121.04 1xha h ASP 220 Ca -0.00 -0.10 -0.25 0.00 0.02 0.00 0.00 57.03 56.70 1xha h ASP 220 Cb 0.32 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1xha h ASP 220 CO 0.02 0.68 -1.07 -0.50 -1.72 0.00 0.00 179.24 176.64 1xha h TRP 221 N 0.16 0.54 -0.42 4.55 -0.00 -1.34 0.05 115.95 119.49 1xha h TRP 221 Ca 0.01 -0.34 0.07 0.00 -0.00 0.00 0.00 58.89 58.63 1xha h TRP 221 Cb 0.93 -0.04 -0.06 0.00 -0.00 0.00 0.00 29.16 29.99 1xha h TRP 221 CO 0.01 1.20 0.07 2.35 -0.00 0.00 0.00 178.44 182.07 1xha h TRP 222 N 0.15 0.11 -0.62 0.49 2.91 -1.43 -2.55 115.95 115.01 1xha h TRP 222 Ca -0.10 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.88 1xha h TRP 222 Cb 1.75 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 30.39 1xha h TRP 222 CO 0.06 -0.01 0.15 0.00 -1.03 0.00 0.00 178.44 177.62 1xha h ALA 223 N 1.33 0.82 -0.64 2.65 0.00 -1.14 -1.20 119.26 121.08 1xha h ALA 223 Ca 0.20 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1xha h ALA 223 Cb 0.26 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1xha h ALA 223 CO -0.28 0.53 0.20 1.25 0.00 0.00 0.00 179.25 180.94 1xha h LEU 224 N 0.91 0.13 -0.36 0.00 5.85 -0.79 0.09 115.31 121.14 1xha h LEU 224 Ca 0.19 0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.05 1xha h LEU 224 Cb 0.35 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1xha h LEU 224 CO 0.00 0.07 0.14 1.23 -0.34 0.00 0.00 178.44 179.54 1xha h GLY 225 N 0.35 0.46 0.48 3.75 0.00 -0.82 -0.26 103.07 107.03 1xha h GLY 225 Ca 0.34 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.65 1xha h GLY 225 CO -0.37 0.05 0.19 -2.08 0.00 0.00 0.00 176.54 174.32 1xha h VAL 226 N 0.30 0.81 0.40 4.60 2.07 -0.60 -0.80 116.25 123.03 1xha h VAL 226 Ca 0.16 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1xha h VAL 226 Cb 0.12 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1xha h VAL 226 CO -0.15 0.07 -0.31 0.25 0.02 0.00 0.00 177.57 177.45 1xha h LEU 227 N 0.37 -0.80 -1.21 2.57 5.85 -0.11 0.26 115.31 122.24 1xha h LEU 227 Ca 0.26 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.11 1xha h LEU 227 Cb 0.29 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 1xha h LEU 227 CO -0.26 -0.46 0.56 0.40 -0.34 0.00 0.00 178.44 178.34 1xha h ILE 228 N -0.71 1.04 -0.44 4.05 2.04 -0.93 0.13 117.51 122.69 1xha h ILE 228 Ca -0.04 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1xha h ILE 228 Cb 0.61 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1xha h ILE 228 CO 0.00 0.17 0.13 0.22 0.00 0.00 0.00 178.15 178.67 1xha h TYR 229 N 0.94 0.72 -0.56 1.37 5.03 -0.74 -1.59 116.97 122.14 1xha h TYR 229 Ca 0.38 -0.08 -0.10 0.00 2.58 0.00 0.00 58.73 61.51 1xha h TYR 229 Cb 0.25 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 1xha h TYR 229 CO -0.00 0.66 -0.04 1.49 -1.32 0.00 0.00 178.16 178.95 1xha h GLU 230 N 0.58 1.01 0.37 1.82 4.81 0.39 0.10 114.58 123.65 1xha h GLU 230 Ca 0.14 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1xha h GLU 230 Cb 0.28 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1xha h GLU 230 CO -0.00 1.01 -0.18 0.52 -0.73 0.00 0.00 179.01 179.63 1xha h MET 231 N 0.91 -0.48 -0.15 1.92 2.86 -0.75 0.12 114.93 119.37 1xha h MET 231 Ca 0.16 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1xha h MET 231 Cb 0.59 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1xha h MET 231 CO 0.04 -0.21 -0.14 0.00 1.06 0.00 0.00 176.91 177.65 1xha h ALA 232 N -0.15 1.50 0.00 6.32 0.00 -1.25 -1.64 119.26 124.05 1xha h ALA 232 Ca -0.05 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.41 1xha h ALA 232 Cb 0.49 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1xha h ALA 232 CO 0.08 0.36 -2.19 0.00 0.00 0.00 0.00 179.25 177.50 1xha n ALA 233 N -2.49 1.93 -0.56 0.00 0.00 0.35 -4.57 120.51 115.17 1xha n ALA 233 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1xha n ALA 233 Cb 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1xha n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xha n GLY 234 N 1.57 0.98 3.23 0.00 0.00 0.42 -4.80 105.19 106.60 1xha n GLY 234 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1xha n GLY 234 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xha s TYR 235 N -3.22 0.05 0.60 1.61 -0.85 -1.23 -4.93 117.35 109.39 1xha s TYR 235 Ca 0.00 -0.45 -0.09 0.00 -0.52 0.00 0.00 57.07 56.01 1xha s TYR 235 Cb 0.00 0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.34 1xha s TYR 235 CO 0.00 -0.58 0.97 -1.25 -1.52 0.00 0.00 175.55 173.17 1xha s PRO 236 N -3.79 3.41 0.40 -3.49 0.04 -1.26 -3.61 135.00 126.69 1xha s PRO 236 Ca 0.04 0.51 0.12 0.00 0.04 0.00 0.00 61.00 61.71 1xha s PRO 236 Cb 0.04 -2.16 0.83 0.00 0.04 0.00 0.00 34.50 33.25 1xha s PRO 236 CO -0.11 -0.57 1.91 -1.00 0.04 0.00 0.00 177.00 177.27 1xha h PRO 237 N -0.23 0.08 -4.34 0.56 0.13 -1.89 -3.39 132.00 122.91 1xha h PRO 237 Ca -0.45 -0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.06 1xha h PRO 237 Cb 1.21 -0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.95 1xha h PRO 237 CO 0.62 0.31 -0.79 -0.06 -0.23 0.00 0.00 178.00 177.86 1xha s PHE 238 N -4.50 2.30 0.14 1.56 0.08 -1.26 -4.79 117.98 111.50 1xha s PHE 238 Ca -0.04 -1.65 -0.08 0.00 0.12 0.00 0.00 56.93 55.28 1xha s PHE 238 Cb 0.15 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 41.04 1xha s PHE 238 CO 0.72 -0.75 0.22 -0.59 -0.10 0.00 0.00 175.22 174.72 1xha s PHE 239 N 1.43 0.41 0.00 0.36 -0.12 -1.26 -4.71 117.98 114.09 1xha s PHE 239 Ca -0.05 -0.79 0.00 0.00 -0.05 0.00 0.00 56.93 56.04 1xha s PHE 239 Cb -0.18 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.09 1xha s PHE 239 CO -0.07 -0.64 0.00 0.00 -0.05 0.00 0.00 175.22 174.46 1xha n ALA 240 N -0.16 0.00 0.07 1.99 0.00 -1.26 -4.85 120.51 116.31 1xha n ALA 240 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1xha n ALA 240 Cb 0.63 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.43 1xha n ALA 240 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xha h ASP 241 N 0.00 0.33 -3.72 0.00 3.32 -2.02 -3.42 116.42 110.91 1xha h ASP 241 Ca 0.00 -0.07 -0.68 0.00 0.02 0.00 0.00 57.03 56.31 1xha h ASP 241 Cb 0.00 -0.09 -0.23 0.00 0.22 0.00 0.00 39.33 39.23 1xha h ASP 241 CO 0.00 0.46 -0.75 -1.10 -1.72 0.00 0.00 179.24 176.13 1xha s GLN 242 N -4.81 2.87 0.48 3.56 -1.52 -1.26 -5.03 119.66 113.94 1xha s GLN 242 Ca -0.06 -0.65 0.20 0.00 -1.95 0.00 0.00 55.36 52.90 1xha s GLN 242 Cb 0.15 -2.52 1.21 0.00 -0.22 0.00 0.00 33.01 31.63 1xha s GLN 242 CO 0.75 0.50 1.96 -1.35 -0.25 0.00 0.00 175.29 176.89 1xha h PRO 243 N 5.78 0.21 0.00 2.91 0.11 -2.00 -0.90 132.00 138.10 1xha h PRO 243 Ca -0.40 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 1xha h PRO 243 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1xha h PRO 243 CO 0.53 0.14 -0.30 0.97 -0.21 0.00 0.00 178.00 179.13 1xha h ILE 244 N 0.22 0.86 -0.06 4.15 -0.00 -1.96 -0.43 117.51 120.29 1xha h ILE 244 Ca 0.31 -1.21 -0.22 0.00 -0.00 0.00 0.00 64.86 63.74 1xha h ILE 244 Cb 0.92 1.73 0.00 0.00 -0.00 0.00 0.00 36.82 39.48 1xha h ILE 244 CO -0.06 0.30 -0.85 1.56 -0.00 0.00 0.00 178.15 179.09 1xha h GLN 245 N 0.00 0.54 -0.39 2.19 4.20 -1.55 -3.01 115.11 117.09 1xha h GLN 245 Ca -0.00 -0.50 0.02 0.00 0.06 0.00 0.00 58.65 58.22 1xha h GLN 245 Cb 0.71 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1xha h GLN 245 CO 0.04 1.13 0.23 0.82 -0.67 0.00 0.00 178.83 180.38 1xha h ILE 246 N 0.34 1.04 -0.67 2.54 2.04 -1.23 -2.76 117.51 118.81 1xha h ILE 246 Ca -0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1xha h ILE 246 Cb 1.47 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1xha h ILE 246 CO 0.16 0.08 0.39 1.88 0.00 0.00 0.00 178.15 180.66 1xha h TYR 247 N 0.46 0.90 -0.07 1.37 0.05 -1.07 -1.79 116.97 116.81 1xha h TYR 247 Ca 0.15 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.83 1xha h TYR 247 Cb 0.01 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.44 1xha h TYR 247 CO -0.07 0.62 -0.39 0.93 -1.05 0.00 0.00 178.16 178.19 1xha h GLU 248 N 0.91 0.15 -0.62 4.88 5.08 -1.51 -1.91 114.58 121.56 1xha h GLU 248 Ca 0.24 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1xha h GLU 248 Cb -0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1xha h GLU 248 CO -0.04 0.52 0.25 0.87 -1.00 0.00 0.00 179.01 179.61 1xha h LYS 249 N 0.13 0.93 -0.66 2.33 1.57 -1.12 -1.85 116.57 117.90 1xha h LYS 249 Ca 0.01 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1xha h LYS 249 Cb 0.76 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1xha h LYS 249 CO 0.06 0.79 0.15 0.82 -0.57 0.00 0.00 179.45 180.69 1xha h ILE 250 N 0.87 1.26 0.00 1.86 2.04 -0.71 -3.08 117.51 119.75 1xha h ILE 250 Ca 0.21 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1xha h ILE 250 Cb 0.20 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1xha h ILE 250 CO -0.02 0.36 -0.65 -0.37 0.00 0.00 0.00 178.15 177.48 1xha h VAL 251 N 1.00 0.00 -0.50 1.67 -1.51 -1.35 -3.34 116.25 112.22 1xha h VAL 251 Ca 0.21 -0.57 0.14 0.00 -1.23 0.00 0.00 66.70 65.25 1xha h VAL 251 Cb 0.37 1.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 1xha h VAL 251 CO 0.00 0.00 0.37 0.77 -1.23 0.00 0.00 177.57 177.48 1xha h SER 252 N 0.00 0.00 0.00 4.19 4.64 -1.23 -3.45 113.55 117.70 1xha h SER 252 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xha h SER 252 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1xha h SER 252 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1xha n GLY 253 N -1.62 0.89 2.94 -0.77 0.00 -1.26 -5.09 105.19 100.28 1xha n GLY 253 Ca 0.09 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1xha n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xha s LYS 254 N -0.65 0.47 -0.03 1.61 1.02 -1.26 -4.96 119.74 115.94 1xha s LYS 254 Ca 0.00 -0.16 -0.05 0.00 0.02 0.00 0.00 55.97 55.79 1xha s LYS 254 Cb 0.00 -0.47 0.01 0.00 -0.52 0.00 0.00 37.83 36.84 1xha s LYS 254 CO 0.00 0.07 0.12 0.08 -0.92 0.00 0.00 175.35 174.69 1xha s VAL 255 N 0.10 0.02 -0.03 3.17 1.01 -1.26 -4.88 120.40 118.53 1xha s VAL 255 Ca -0.01 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1xha s VAL 255 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1xha s VAL 255 CO -0.00 -0.11 -0.24 -0.13 0.00 0.00 0.00 175.10 174.62 1xha s ARG 256 N -0.33 2.11 -0.05 2.72 0.52 -1.26 -5.13 118.95 117.53 1xha s ARG 256 Ca -0.04 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 1xha s ARG 256 Cb -0.03 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 1xha s ARG 256 CO 0.00 0.47 -0.03 -0.06 0.02 0.00 0.00 175.30 175.71 1xha s PHE 257 N -0.43 3.05 0.55 -0.53 0.08 -1.26 -4.99 117.98 114.44 1xha s PHE 257 Ca 0.05 0.10 -0.20 0.00 0.12 0.00 0.00 56.93 57.00 1xha s PHE 257 Cb -0.11 -1.72 -0.08 0.00 -0.57 0.00 0.00 43.02 40.55 1xha s PHE 257 CO 0.00 0.42 0.79 -2.30 -0.10 0.00 0.00 175.22 174.03 1xha n PRO 258 N 1.95 0.82 0.28 0.24 -0.02 -1.26 -4.88 135.00 132.13 1xha n PRO 258 Ca -0.17 0.31 0.18 0.00 -2.02 0.00 0.00 63.50 61.80 1xha n PRO 258 Cb 0.53 -1.94 0.84 0.00 -0.02 0.00 0.00 33.50 32.91 1xha n PRO 258 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xha h SER 259 N 0.61 0.00 1.92 2.55 4.64 -2.03 -2.84 113.55 118.40 1xha h SER 259 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1xha h SER 259 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1xha h SER 259 CO 0.51 0.00 -0.04 1.12 -0.87 0.00 0.00 176.83 177.54 1xha h HIS 260 N 0.00 0.00 -2.73 4.77 2.07 -2.01 -3.46 115.15 113.80 1xha h HIS 260 Ca 0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 1xha h HIS 260 Cb 0.30 0.00 0.07 0.00 2.57 0.00 0.00 27.41 30.34 1xha h HIS 260 CO 0.00 0.00 0.94 1.19 -3.07 0.00 0.00 177.93 176.99 1xha n PHE 261 N -3.03 2.69 -1.28 6.12 3.01 -1.07 -4.98 117.46 118.92 1xha n PHE 261 Ca 0.04 0.13 -0.33 0.00 1.01 0.00 0.00 57.45 58.29 1xha n PHE 261 Cb 0.52 -2.63 0.11 0.00 -0.01 0.00 0.00 39.48 37.47 1xha n PHE 261 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1xha s SER 262 N 0.96 3.97 0.27 4.37 1.04 -1.26 -4.85 113.70 118.21 1xha s SER 262 Ca 0.73 2.28 -0.03 0.00 0.48 0.00 0.00 55.95 59.41 1xha s SER 262 Cb -0.53 -2.58 0.34 0.00 0.10 0.00 0.00 66.02 63.35 1xha s SER 262 CO 0.37 -2.41 1.86 0.28 0.98 0.00 0.00 173.24 174.32 1xha h SER 263 N -0.66 0.93 -0.88 7.02 0.02 -1.98 -1.05 113.55 116.96 1xha h SER 263 Ca -0.46 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 60.39 1xha h SER 263 Cb 1.29 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 1xha h SER 263 CO 0.48 0.80 0.58 0.44 -1.14 0.00 0.00 176.83 177.99 1xha h ASP 264 N 1.02 0.98 -0.11 3.07 3.32 -1.97 -0.94 116.42 121.79 1xha h ASP 264 Ca 0.24 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1xha h ASP 264 Cb 0.13 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1xha h ASP 264 CO -0.03 0.70 -0.04 0.25 -1.72 0.00 0.00 179.24 178.40 1xha h LEU 265 N 1.15 0.22 -1.65 1.55 5.85 -1.69 -0.98 115.31 119.75 1xha h LEU 265 Ca 0.33 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1xha h LEU 265 Cb -0.07 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1xha h LEU 265 CO -0.08 0.56 0.35 0.11 -0.34 0.00 0.00 178.44 179.04 1xha h LYS 266 N -0.13 0.40 0.21 1.25 1.57 -0.98 0.15 116.57 119.04 1xha h LYS 266 Ca 0.03 -0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1xha h LYS 266 Cb 0.47 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.71 1xha h LYS 266 CO 0.01 0.27 -1.65 0.22 -0.57 0.00 0.00 179.45 177.73 1xha h ASP 267 N 0.41 0.69 -0.31 0.86 3.58 -0.97 -0.25 116.42 120.43 1xha h ASP 267 Ca 0.23 -0.93 0.06 0.00 0.42 0.00 0.00 57.03 56.81 1xha h ASP 267 Cb 0.39 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 1xha h ASP 267 CO -0.06 1.76 -0.07 0.25 -2.88 0.00 0.00 179.24 178.24 1xha h LEU 268 N 0.10 -0.26 -0.82 2.28 6.46 -0.97 -2.85 115.31 119.25 1xha h LEU 268 Ca -0.32 0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.46 1xha h LEU 268 Cb 2.11 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 42.20 1xha h LEU 268 CO 0.21 -0.09 0.05 -0.07 -0.62 0.00 0.00 178.44 177.91 1xha h LEU 269 N 0.01 0.89 -1.90 2.25 3.38 -0.67 -1.91 115.31 117.37 1xha h LEU 269 Ca 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xha h LEU 269 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xha h LEU 269 CO -0.31 0.93 0.07 0.03 0.09 0.00 0.00 178.44 179.25 1xha h ARG 270 N 0.87 0.14 0.00 1.13 3.08 -0.91 -1.56 114.38 117.12 1xha h ARG 270 Ca 0.17 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 1xha h ARG 270 Cb 0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1xha h ARG 270 CO 0.02 0.09 -1.02 -0.91 -1.07 0.00 0.00 179.97 177.08 1xha h ASN 271 N 0.14 0.00 0.20 7.04 4.21 -1.21 -3.35 115.58 122.61 1xha h ASN 271 Ca 0.04 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 57.28 1xha h ASN 271 Cb 0.00 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.23 1xha h ASN 271 CO -0.01 0.43 -1.23 -0.07 -1.29 0.00 0.00 177.43 175.26 1xha h LEU 272 N 0.00 0.67 -4.39 1.61 3.38 -1.09 0.28 115.31 115.77 1xha h LEU 272 Ca -0.08 -0.93 -0.43 0.00 0.09 0.00 0.00 57.88 56.53 1xha h LEU 272 Cb 1.40 -0.22 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 1xha h LEU 272 CO 0.04 1.59 0.22 0.18 0.09 0.00 0.00 178.44 180.56 1xha n LEU 273 N -3.89 6.20 -4.43 1.67 4.77 -0.61 -4.09 117.00 116.62 1xha n LEU 273 Ca -0.17 -3.86 -0.38 0.00 -0.03 0.00 0.00 56.01 51.58 1xha n LEU 273 Cb 0.98 -1.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.69 1xha n LEU 273 CO 0.55 1.71 -0.22 -1.58 -1.33 0.00 0.00 177.39 176.52 1xha s GLN 274 N -1.13 3.35 0.27 3.23 2.00 -1.26 -4.93 119.66 121.20 1xha s GLN 274 Ca 0.60 -0.71 -0.04 0.00 -2.00 0.00 0.00 55.36 53.21 1xha s GLN 274 Cb 0.37 -3.53 0.35 0.00 0.80 0.00 0.00 33.01 31.00 1xha s GLN 274 CO -0.17 -0.40 1.94 0.28 -0.50 0.00 0.00 175.29 176.44 1xha h VAL 275 N 5.67 1.24 -2.99 1.34 2.07 -1.92 -3.40 116.25 118.24 1xha h VAL 275 Ca -0.33 -0.45 -0.57 0.00 0.82 0.00 0.00 66.70 66.17 1xha h VAL 275 Cb 1.15 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1xha h VAL 275 CO 0.61 0.23 1.09 -0.62 0.02 0.00 0.00 177.57 178.91 1xha s ASP 276 N -6.23 6.37 0.49 0.57 -1.08 -1.26 -4.89 116.67 110.64 1xha s ASP 276 Ca -0.12 1.24 0.22 0.00 -0.52 0.00 0.00 52.55 53.38 1xha s ASP 276 Cb 0.18 -2.54 1.28 0.00 -1.46 0.00 0.00 42.92 40.38 1xha s ASP 276 CO 0.81 -1.33 2.04 -0.07 0.52 0.00 0.00 175.17 177.14 1xha h LEU 277 N 11.92 0.00 0.00 -1.34 3.38 -1.97 -2.19 115.31 125.11 1xha h LEU 277 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1xha h LEU 277 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1xha h LEU 277 CO 1.04 0.15 0.00 0.35 0.09 0.00 0.00 178.44 180.07 1xha n THR 278 N -3.90 0.89 -0.05 0.22 -2.24 -1.26 -3.63 114.28 104.31 1xha n THR 278 Ca -0.02 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1xha n THR 278 Cb 0.24 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1xha n THR 278 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xha n LYS 279 N -1.45 3.37 -2.93 -0.78 5.02 -0.84 -4.90 118.16 115.65 1xha n LYS 279 Ca 0.04 -0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 55.76 1xha n LYS 279 Cb 0.16 -0.63 -0.04 0.00 -0.02 0.00 0.00 35.03 34.50 1xha n LYS 279 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xha s ARG 280 N -0.53 4.47 0.50 1.97 3.52 -1.14 -4.93 118.95 122.80 1xha s ARG 280 Ca 0.00 1.06 -0.24 0.00 -0.13 0.00 0.00 55.73 56.42 1xha s ARG 280 Cb 0.00 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 1xha s ARG 280 CO 0.00 0.01 1.40 -0.06 -0.81 0.00 0.00 175.30 175.83 1xha s PHE 281 N 0.94 2.37 0.00 5.12 0.40 0.09 -2.29 117.98 124.61 1xha s PHE 281 Ca 0.42 1.31 0.00 0.00 -0.60 0.00 0.00 56.93 58.06 1xha s PHE 281 Cb -0.19 -3.87 0.00 0.00 0.51 0.00 0.00 43.02 39.47 1xha s PHE 281 CO 0.21 -2.94 0.00 0.41 0.70 0.00 0.00 175.22 173.59 1xha n GLY 282 N 0.64 2.90 0.00 4.36 0.00 -1.24 -4.80 105.19 107.06 1xha n GLY 282 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xha n GLY 282 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xha n ASN 283 N 0.00 1.21 -4.98 1.61 5.15 -0.97 -4.43 115.26 112.86 1xha n ASN 283 Ca 0.00 -1.44 -0.20 0.00 -0.60 0.00 0.00 54.58 52.35 1xha n ASN 283 Cb 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 1xha n ASN 283 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xha s LEU 284 N -0.44 3.19 0.32 1.20 1.43 -1.25 -4.93 118.68 118.20 1xha s LEU 284 Ca 0.00 -0.68 0.09 0.00 -1.03 0.00 0.00 54.13 52.52 1xha s LEU 284 Cb 0.00 -1.91 0.94 0.00 0.03 0.00 0.00 46.19 45.25 1xha s LEU 284 CO 0.00 -1.30 1.64 0.07 0.23 0.00 0.00 176.35 176.99 1xha h LYS 285 N 0.16 0.23 -0.00 1.70 2.10 -1.97 -0.20 116.57 118.59 1xha h LYS 285 Ca -0.33 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1xha h LYS 285 Cb 1.28 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1xha h LYS 285 CO 0.42 0.15 -0.32 0.09 -2.00 0.00 0.00 179.45 177.79 1xha n ASN 286 N -5.16 0.40 0.00 7.07 4.13 -1.26 -5.03 115.26 115.41 1xha n ASN 286 Ca 0.28 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.41 1xha n ASN 286 Cb 0.88 0.02 0.00 0.00 -1.54 0.00 0.00 39.78 39.13 1xha n ASN 286 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xha n GLY 287 N 1.47 2.10 0.26 7.41 0.00 -0.09 -2.77 105.19 113.56 1xha n GLY 287 Ca 0.07 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1xha n GLY 287 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xha h VAL 288 N 0.00 1.06 0.00 1.61 3.04 -1.90 -2.98 116.25 117.08 1xha h VAL 288 Ca 0.00 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1xha h VAL 288 Cb 0.00 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1xha h VAL 288 CO 0.00 0.07 -0.05 0.78 -1.01 0.00 0.00 177.57 177.36 1xha h ASN 289 N 0.08 0.00 -0.24 3.17 4.21 -1.93 -0.28 115.58 120.59 1xha h ASN 289 Ca 0.02 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 1xha h ASN 289 Cb 0.10 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 1xha h ASN 289 CO 0.00 0.05 0.10 0.44 -1.29 0.00 0.00 177.43 176.74 1xha h ASP 290 N 0.00 0.38 0.01 5.81 3.32 -1.70 -0.40 116.42 123.83 1xha h ASP 290 Ca -0.00 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1xha h ASP 290 Cb 0.12 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1xha h ASP 290 CO 0.01 0.36 -0.08 0.40 -1.72 0.00 0.00 179.24 178.21 1xha h ILE 291 N 0.42 1.66 -0.46 0.35 2.04 -1.28 -2.97 117.51 117.28 1xha h ILE 291 Ca 0.10 -2.05 0.05 0.00 1.00 0.00 0.00 64.86 63.97 1xha h ILE 291 Cb 0.12 3.04 -0.05 0.00 -0.74 0.00 0.00 36.82 39.19 1xha h ILE 291 CO -0.01 0.54 0.18 0.11 0.00 0.00 0.00 178.15 178.97 1xha h LYS 292 N -0.79 0.35 0.00 2.37 1.57 -1.09 -2.26 116.57 116.72 1xha h LYS 292 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1xha h LYS 292 Cb 0.92 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1xha h LYS 292 CO 0.01 0.23 0.00 0.09 -0.57 0.00 0.00 179.45 179.22 1xha n ASN 293 N -4.98 0.00 -4.71 0.86 3.02 -0.18 -4.71 115.26 104.56 1xha n ASN 293 Ca 0.04 0.31 -0.39 0.00 -0.03 0.00 0.00 54.58 54.51 1xha n ASN 293 Cb 0.16 -0.43 0.03 0.00 -0.61 0.00 0.00 39.78 38.94 1xha n ASN 293 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1xha n HIS 294 N -1.43 2.02 -0.26 3.10 -0.00 -0.85 -4.91 115.22 112.90 1xha n HIS 294 Ca 0.08 0.45 0.14 0.00 0.46 0.00 0.00 57.72 58.86 1xha n HIS 294 Cb 0.28 -2.33 0.42 0.00 -0.12 0.00 0.00 29.99 28.23 1xha n HIS 294 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 1xha h LYS 295 N 1.51 0.57 -0.20 1.57 1.57 -1.90 -1.14 116.57 118.56 1xha h LYS 295 Ca -0.49 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 1xha h LYS 295 Cb 1.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1xha h LYS 295 CO 0.57 0.38 0.08 2.35 -0.57 0.00 0.00 179.45 182.26 1xha h TRP 296 N 0.59 0.26 -0.34 -1.35 7.01 -1.91 -1.64 115.95 118.57 1xha h TRP 296 Ca 0.46 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.46 1xha h TRP 296 Cb 0.88 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 1xha h TRP 296 CO -0.00 0.21 0.00 1.19 -2.79 0.00 0.00 178.44 177.05 1xha n PHE 297 N -4.46 1.00 -0.25 2.65 3.72 -0.43 -4.54 117.46 115.15 1xha n PHE 297 Ca -0.00 -0.37 0.01 0.00 -0.05 0.00 0.00 57.45 57.04 1xha n PHE 297 Cb 0.12 -0.24 0.23 0.00 -0.94 0.00 0.00 39.48 38.64 1xha n PHE 297 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xha h ALA 298 N 3.29 1.46 0.00 4.37 0.00 -1.31 -1.82 119.26 125.25 1xha h ALA 298 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xha h ALA 298 Cb 1.12 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xha h ALA 298 CO 0.20 0.48 0.00 0.25 0.00 0.00 0.00 179.25 180.18 1xha n THR 299 N -4.43 0.00 -3.28 0.00 -2.24 -1.26 -4.88 114.28 98.19 1xha n THR 299 Ca 0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 1xha n THR 299 Cb 0.07 -0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 1xha n THR 299 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xha s THR 300 N -2.00 5.07 -0.97 4.28 2.01 -0.69 -4.99 115.64 118.34 1xha s THR 300 Ca 0.29 0.47 -0.20 0.00 0.31 0.00 0.00 61.69 62.56 1xha s THR 300 Cb 0.13 -3.88 0.11 0.00 0.01 0.00 0.00 72.50 68.87 1xha s THR 300 CO 0.22 -0.08 1.25 -0.62 -0.69 0.00 0.00 174.62 174.70 1xha s ASP 301 N 1.69 6.61 0.26 3.53 -1.08 -1.26 -4.87 116.67 121.55 1xha s ASP 301 Ca 0.18 -1.90 -0.02 0.00 -0.52 0.00 0.00 52.55 50.30 1xha s ASP 301 Cb -0.16 -2.46 0.50 0.00 -1.46 0.00 0.00 42.92 39.35 1xha s ASP 301 CO 0.12 -1.20 1.76 -0.50 0.52 0.00 0.00 175.17 175.88 1xha h TRP 302 N 9.06 0.74 -0.43 -5.34 4.06 -1.96 -0.05 115.95 122.03 1xha h TRP 302 Ca 0.18 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 61.14 1xha h TRP 302 Cb 1.01 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.95 1xha h TRP 302 CO 1.20 0.19 0.15 0.82 -3.56 0.00 0.00 178.44 177.25 1xha h ILE 303 N 0.62 1.21 0.00 1.49 2.04 -2.00 -1.94 117.51 118.93 1xha h ILE 303 Ca 0.44 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1xha h ILE 303 Cb 0.61 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1xha h ILE 303 CO -0.35 0.24 -0.14 0.00 0.00 0.00 0.00 178.15 177.90 1xha h ALA 304 N 1.00 1.43 -0.05 1.87 0.00 -1.47 -1.35 119.26 120.68 1xha h ALA 304 Ca 0.14 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1xha h ALA 304 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xha h ALA 304 CO -0.01 0.18 -0.33 0.82 0.00 0.00 0.00 179.25 179.91 1xha h ILE 305 N 0.00 1.44 -0.78 0.00 1.08 -0.88 -0.27 117.51 118.10 1xha h ILE 305 Ca -0.00 -1.77 0.11 0.00 -0.39 0.00 0.00 64.86 62.80 1xha h ILE 305 Cb 0.32 2.40 -0.08 0.00 -3.07 0.00 0.00 36.82 36.40 1xha h ILE 305 CO 0.02 0.51 0.41 0.22 -0.69 0.00 0.00 178.15 178.61 1xha h TYR 306 N -0.20 0.73 -0.01 1.37 3.20 -0.99 -2.00 116.97 119.08 1xha h TYR 306 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1xha h TYR 306 Cb 1.00 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1xha h TYR 306 CO 0.14 0.25 -0.08 1.04 -1.64 0.00 0.00 178.16 177.86 1xha n GLN 307 N -4.83 1.12 -3.50 1.82 6.02 -0.54 -4.89 117.38 112.58 1xha n GLN 307 Ca 0.13 -0.52 -0.22 0.00 -0.01 0.00 0.00 57.00 56.39 1xha n GLN 307 Cb 0.32 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 30.16 1xha n GLN 307 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1xha n ARG 308 N -0.49 -7.27 0.00 -1.09 1.74 -0.56 -4.90 116.66 104.09 1xha n ARG 308 Ca 0.17 0.76 0.11 0.00 -0.77 0.00 0.00 57.85 58.12 1xha n ARG 308 Cb 0.30 -5.60 0.03 0.00 -1.02 0.00 0.00 32.46 26.17 1xha n ARG 308 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xha n LYS 309 N -4.60 1.41 -3.32 5.56 4.76 -0.22 -4.93 118.16 116.83 1xha n LYS 309 Ca -0.00 -1.16 -0.36 0.00 -2.87 0.00 0.00 58.31 53.92 1xha n LYS 309 Cb 0.56 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 1xha n LYS 309 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xha s VAL 310 N -2.39 4.80 -0.03 -0.18 1.01 -1.23 -5.04 120.40 117.35 1xha s VAL 310 Ca 0.21 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 1xha s VAL 310 Cb 0.19 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1xha s VAL 310 CO 0.52 0.32 1.31 -1.61 0.00 0.00 0.00 175.10 175.64 1xha s GLU 311 N -1.75 4.31 0.08 2.72 8.01 -1.26 -4.98 118.70 125.82 1xha s GLU 311 Ca 0.36 1.83 -0.31 0.00 0.01 0.00 0.00 54.97 56.86 1xha s GLU 311 Cb -0.16 -3.59 -0.09 0.00 -4.31 0.00 0.00 34.13 25.98 1xha s GLU 311 CO 0.19 -0.54 1.74 0.00 0.01 0.00 0.00 175.26 176.67 1xha s ALA 312 N 2.43 3.70 -2.00 5.21 0.00 -1.26 -4.85 121.76 124.98 1xha s ALA 312 Ca 0.60 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1xha s ALA 312 Cb -0.28 -3.74 0.03 0.00 0.00 0.00 0.00 23.12 19.13 1xha s ALA 312 CO 0.24 -1.21 0.32 -2.30 0.00 0.00 0.00 175.76 172.81 1xha n PRO 313 N 5.92 0.29 -3.15 0.00 -0.02 -1.26 -4.37 135.00 132.41 1xha n PRO 313 Ca 0.17 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.70 1xha n PRO 313 Cb 0.40 -1.02 -0.00 0.00 -0.02 0.00 0.00 33.50 32.85 1xha n PRO 313 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1xha s PHE 314 N -2.00 -1.05 -0.19 6.00 5.36 -1.26 -5.10 117.98 119.74 1xha s PHE 314 Ca 0.01 0.66 -0.05 0.00 -0.96 0.00 0.00 56.93 56.59 1xha s PHE 314 Cb 0.00 0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.86 1xha s PHE 314 CO 0.01 -0.61 -0.01 0.42 -1.46 0.00 0.00 175.22 173.57 1xha s ILE 315 N 2.91 3.94 0.73 3.12 1.01 -1.26 -4.52 121.20 127.13 1xha s ILE 315 Ca 0.19 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 1xha s ILE 315 Cb -0.06 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.67 1xha s ILE 315 CO -0.23 0.44 1.08 -2.16 0.00 0.00 0.00 174.94 174.07 1xha s PRO 316 N 0.87 2.62 -0.08 2.79 0.04 -1.26 -4.93 135.00 135.04 1xha s PRO 316 Ca 0.01 0.76 -0.31 0.00 0.04 0.00 0.00 61.00 61.50 1xha s PRO 316 Cb -0.14 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1xha s PRO 316 CO 0.02 -1.27 2.05 1.17 0.04 0.00 0.00 177.00 179.00 1xha n LYS 317 N -3.22 2.37 -3.62 4.56 0.00 -1.26 -4.93 118.16 112.06 1xha n LYS 317 Ca 0.07 0.81 -0.38 0.00 0.00 0.00 0.00 58.31 58.81 1xha n LYS 317 Cb 0.55 -2.98 -0.07 0.00 0.00 0.00 0.00 35.03 32.53 1xha n LYS 317 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1xha s PHE 318 N 5.72 3.68 0.00 5.64 2.19 -1.26 -4.90 117.98 129.05 1xha s PHE 318 Ca 0.94 -2.77 -0.01 0.00 0.33 0.00 0.00 56.93 55.42 1xha s PHE 318 Cb -0.48 -3.31 -0.06 0.00 -1.31 0.00 0.00 43.02 37.86 1xha s PHE 318 CO 0.42 -0.82 2.29 0.36 1.83 0.00 0.00 175.22 179.31 1xha n LYS 319 N 3.02 1.18 0.00 10.12 2.85 -1.26 -4.97 118.16 129.10 1xha n LYS 319 Ca 0.15 -0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1xha n LYS 319 Cb 0.39 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1xha n LYS 319 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xha n GLY 320 N 1.74 -1.83 3.75 2.58 0.00 -1.26 -4.74 105.19 105.42 1xha n GLY 320 Ca 0.09 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1xha n GLY 320 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xha s PRO 321 N -2.03 2.91 -0.44 1.61 0.04 -1.26 -3.00 135.00 132.83 1xha s PRO 321 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1xha s PRO 321 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1xha s PRO 321 CO 0.00 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.15 1xha n GLY 322 N 0.68 0.58 3.84 0.56 0.00 -1.26 -5.01 105.19 104.58 1xha n GLY 322 Ca 0.13 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1xha n GLY 322 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xha s ASP 323 N -2.29 6.83 -0.32 1.61 2.15 -1.16 -5.03 116.67 118.45 1xha s ASP 323 Ca 0.00 1.01 0.13 0.00 0.43 0.00 0.00 52.55 54.12 1xha s ASP 323 Cb 0.00 -2.26 0.46 0.00 -0.30 0.00 0.00 42.92 40.82 1xha s ASP 323 CO 0.00 0.25 1.10 0.35 -0.17 0.00 0.00 175.17 176.70 1xha n THR 324 N 1.48 1.81 0.14 1.71 -2.24 -1.26 -4.85 114.28 111.07 1xha n THR 324 Ca -0.11 -3.78 -0.01 0.00 -2.27 0.00 0.00 64.05 57.88 1xha n THR 324 Cb 0.52 -0.11 0.17 0.00 -2.10 0.00 0.00 70.33 68.81 1xha n THR 324 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xha h SER 325 N 2.57 0.00 -0.16 3.42 0.02 -1.94 -3.08 113.55 114.39 1xha h SER 325 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1xha h SER 325 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1xha h SER 325 CO 0.57 0.62 0.00 0.59 -1.14 0.00 0.00 176.83 177.47 1xha n ASN 326 N -3.73 0.94 -4.37 3.07 3.02 -1.26 -4.85 115.26 108.07 1xha n ASN 326 Ca -0.01 -1.89 -0.27 0.00 -0.03 0.00 0.00 54.58 52.39 1xha n ASN 326 Cb 0.63 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.57 1xha n ASN 326 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xha s PHE 327 N -1.79 2.15 0.86 3.10 0.08 -1.16 -4.19 117.98 117.03 1xha s PHE 327 Ca 0.17 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 1xha s PHE 327 Cb 0.09 -1.13 0.11 0.00 -0.57 0.00 0.00 43.02 41.52 1xha s PHE 327 CO 0.12 0.36 1.17 -0.51 -0.10 0.00 0.00 175.22 176.26 1xha s ASP 328 N -2.27 3.99 -0.15 1.36 1.01 -1.26 -5.03 116.67 114.31 1xha s ASP 328 Ca 0.15 0.84 -0.08 0.00 0.71 0.00 0.00 52.55 54.17 1xha s ASP 328 Cb -0.09 -1.35 -0.04 0.00 1.01 0.00 0.00 42.92 42.44 1xha s ASP 328 CO 0.07 -2.24 0.13 -1.81 0.21 0.00 0.00 175.17 171.53 1xha s ASP 329 N -4.34 6.24 0.11 0.27 1.01 -1.26 -4.81 116.67 113.89 1xha s ASP 329 Ca 0.63 0.34 0.08 0.00 0.71 0.00 0.00 52.55 54.31 1xha s ASP 329 Cb -0.12 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 1xha s ASP 329 CO 0.51 0.31 -0.19 -0.31 0.21 0.00 0.00 175.17 175.70 1xha s TYR 330 N -0.41 1.70 0.17 4.23 1.51 -1.26 -5.12 117.35 118.16 1xha s TYR 330 Ca 0.12 -0.44 -0.34 0.00 -1.01 0.00 0.00 57.07 55.40 1xha s TYR 330 Cb -0.12 -0.91 -0.14 0.00 -0.11 0.00 0.00 41.96 40.68 1xha s TYR 330 CO 0.01 0.21 1.56 0.39 -1.11 0.00 0.00 175.55 176.61 1xha n GLU 331 N 0.91 2.13 -3.38 -0.62 1.02 -1.26 -4.86 120.64 114.57 1xha n GLU 331 Ca -0.18 0.77 -0.36 0.00 -0.02 0.00 0.00 57.16 57.36 1xha n GLU 331 Cb 0.55 -2.52 -0.06 0.00 -0.02 0.00 0.00 31.44 29.39 1xha n GLU 331 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xha s GLU 332 N 0.75 3.98 -0.03 3.49 0.41 -1.26 -4.99 118.70 121.05 1xha s GLU 332 Ca 0.78 0.49 0.04 0.00 -0.41 0.00 0.00 54.97 55.86 1xha s GLU 332 Cb -0.68 -3.02 -0.00 0.00 -1.78 0.00 0.00 34.13 28.64 1xha s GLU 332 CO 0.39 0.54 -0.16 -2.00 -0.49 0.00 0.00 175.26 173.55 1xha s GLU 333 N -1.71 1.53 0.40 1.61 2.12 -1.26 -5.13 118.70 116.26 1xha s GLU 333 Ca 0.34 -0.55 -0.25 0.00 0.36 0.00 0.00 54.97 54.87 1xha s GLU 333 Cb -0.16 -1.38 -0.08 0.00 0.26 0.00 0.00 34.13 32.77 1xha s GLU 333 CO 0.18 0.25 1.20 -1.21 -0.54 0.00 0.00 175.26 175.14 1xha s GLU 334 N -0.03 4.05 -0.29 4.30 0.41 -1.26 -4.99 118.70 120.89 1xha s GLU 334 Ca -0.01 1.92 -0.23 0.00 -0.41 0.00 0.00 54.97 56.24 1xha s GLU 334 Cb -0.10 -2.71 -0.01 0.00 -1.78 0.00 0.00 34.13 29.54 1xha s GLU 334 CO 0.01 -0.35 0.75 0.42 -0.49 0.00 0.00 175.26 175.60 1xha s ILE 335 N -1.37 4.85 -0.25 -1.63 1.09 -1.26 -5.04 121.20 117.60 1xha s ILE 335 Ca 0.57 1.21 -0.03 0.00 -1.10 0.00 0.00 60.65 61.29 1xha s ILE 335 Cb -0.33 -4.09 0.01 0.00 -1.06 0.00 0.00 42.46 37.00 1xha s ILE 335 CO 0.41 -0.16 -0.02 -0.60 -0.10 0.00 0.00 174.94 174.47 1xha s ARG 336 N 2.81 3.03 0.00 2.79 3.52 -1.26 -5.25 118.95 124.60 1xha s ARG 336 Ca 0.31 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 1xha s ARG 336 Cb -0.15 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1xha s ARG 336 CO 0.11 -0.36 0.00 0.28 -0.81 0.00 0.00 175.30 174.52 1xha n VAL 337 N 4.75 0.00 0.09 7.11 0.31 -1.26 -4.90 118.33 124.42 1xha n VAL 337 Ca -0.16 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.18 1xha n VAL 337 Cb 0.48 -1.10 -0.02 0.00 -0.91 0.00 0.00 33.84 32.29 1xha n VAL 337 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1xha n ILE 339 N -0.87 0.00 -3.86 2.52 -0.00 -1.26 -5.02 119.36 110.87 1xha n ILE 339 Ca 0.00 -0.26 -0.36 0.00 -0.00 0.00 0.00 62.75 62.14 1xha n ILE 339 Cb 0.00 0.72 -0.10 0.00 -0.00 0.00 0.00 39.64 40.26 1xha n ILE 339 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 1xha s ASN 340 N -1.85 5.64 0.02 7.28 0.01 -1.26 -5.07 114.94 119.70 1xha s ASN 340 Ca 0.00 0.02 -0.30 0.00 -0.71 0.00 0.00 52.86 51.87 1xha s ASN 340 Cb 0.03 -1.99 -0.08 0.00 0.41 0.00 0.00 41.25 39.61 1xha s ASN 340 CO 0.15 0.09 1.81 -0.70 -1.51 0.00 0.00 177.10 176.94 1xha s GLU 341 N 0.88 4.16 -0.12 -0.60 2.12 -1.26 -4.74 118.70 119.14 1xha s GLU 341 Ca 0.05 2.43 -0.08 0.00 0.36 0.00 0.00 54.97 57.73 1xha s GLU 341 Cb -0.13 -3.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 1xha s GLU 341 CO 0.03 -0.88 0.17 0.15 -0.54 0.00 0.00 175.26 174.18 1xha s LYS 342 N 3.91 3.57 -1.42 4.30 -0.14 -0.84 -4.69 119.74 124.43 1xha s LYS 342 Ca 0.81 -0.09 -0.08 0.00 -1.36 0.00 0.00 55.97 55.25 1xha s LYS 342 Cb -0.39 -3.22 0.05 0.00 -1.68 0.00 0.00 37.83 32.58 1xha s LYS 342 CO 0.36 0.71 0.92 0.00 -0.76 0.00 0.00 175.35 176.58 1xha h GLY 344 N -2.09 0.30 1.06 0.00 0.00 -1.94 -2.79 103.07 97.61 1xha h GLY 344 Ca -0.59 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 46.49 1xha h GLY 344 CO 0.62 0.16 0.10 0.07 0.00 0.00 0.00 176.54 177.48 1xha h LYS 345 N 0.14 1.07 -0.19 4.80 2.10 -1.99 -2.15 116.57 120.35 1xha h LYS 345 Ca 0.06 -0.29 -0.03 0.00 -2.00 0.00 0.00 60.65 58.39 1xha h LYS 345 Cb 0.19 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 1xha h LYS 345 CO -0.00 0.99 0.00 0.93 -2.00 0.00 0.00 179.45 179.37 1xha h GLU 346 N 0.99 0.27 -0.13 0.07 3.07 -1.94 -3.11 114.58 113.79 1xha h GLU 346 Ca 0.19 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1xha h GLU 346 Cb 0.44 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1xha h GLU 346 CO 0.01 0.30 -0.05 1.19 -1.40 0.00 0.00 179.01 179.06 1xha n PHE 347 N -4.38 0.46 -0.24 4.33 3.72 -1.04 -4.79 117.46 115.53 1xha n PHE 347 Ca -0.00 -1.07 0.11 0.00 -0.05 0.00 0.00 57.45 56.44 1xha n PHE 347 Cb 0.18 -0.26 0.38 0.00 -0.94 0.00 0.00 39.48 38.84 1xha n PHE 347 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xha h SER 348 N 0.85 0.63 1.10 4.37 4.64 -1.33 -1.97 113.55 121.84 1xha h SER 348 Ca 0.03 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1xha h SER 348 Cb 1.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1xha h SER 348 CO 0.12 0.35 -0.34 -1.84 -0.87 0.00 0.00 176.83 174.25 1xha n GLU 349 N -4.53 0.25 0.00 4.77 0.28 -1.26 -5.12 120.64 115.03 1xha n GLU 349 Ca 0.15 0.13 0.03 0.00 -0.16 0.00 0.00 57.16 57.32 1xha n GLU 349 Cb 0.41 -1.72 0.21 0.00 1.43 0.00 0.00 31.44 31.77 1xha n GLU 349 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31