#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgz s ASN 44 N 0.00 4.29 0.11 6.41 3.84 -1.26 -5.02 114.94 123.32 3hgz s ASN 44 Ca 0.00 -0.26 0.25 0.00 0.21 0.00 0.00 52.86 53.07 3hgz s ASN 44 Cb 0.00 -1.67 0.55 0.00 -0.55 0.00 0.00 41.25 39.58 3hgz s ASN 44 CO 0.00 0.17 1.49 -0.81 -2.79 0.00 0.00 177.10 175.16 3hgz n PRO 45 N 3.52 0.22 0.08 0.43 -0.04 -1.26 -3.69 135.00 134.26 3hgz n PRO 45 Ca -0.18 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 3hgz n PRO 45 Cb 0.53 -1.67 0.06 0.00 -0.04 0.00 0.00 33.50 32.38 3hgz n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hgz h ALA 46 N 2.63 0.51 -2.95 0.55 0.00 -1.99 -3.44 119.26 114.57 3hgz h ALA 46 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 3hgz h ALA 46 Cb 0.68 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.22 3hgz h ALA 46 CO 0.00 0.00 -0.58 0.42 0.00 0.00 0.00 179.25 179.09 3hgz s ILE 47 N -3.28 4.25 0.20 0.00 1.01 -1.24 0.61 121.20 122.74 3hgz s ILE 47 Ca 0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 3hgz s ILE 47 Cb 0.11 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 3hgz s ILE 47 CO 0.77 -0.04 1.51 0.50 0.00 0.00 0.00 174.94 177.67 3hgz h LYS 48 N 8.31 0.48 -2.11 2.79 3.64 -0.90 -3.44 116.57 125.34 3hgz h LYS 48 Ca -0.29 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 58.72 3hgz h LYS 48 Cb 1.12 0.04 -0.21 0.00 -0.41 0.00 0.00 32.23 32.77 3hgz h LYS 48 CO 0.62 0.93 0.09 0.50 -2.27 0.00 0.00 179.45 179.32 3hgz s ARG 49 N -3.91 0.85 -0.02 1.90 3.52 -0.86 -5.00 118.95 115.44 3hgz s ARG 49 Ca -0.07 0.73 0.02 0.00 -0.13 0.00 0.00 55.73 56.29 3hgz s ARG 49 Cb 0.11 0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 33.88 3hgz s ARG 49 CO 0.83 -0.16 -0.06 0.42 -0.81 0.00 0.00 175.30 175.53 3hgz s ILE 50 N -0.09 3.72 0.35 4.11 1.01 -1.26 -1.55 121.20 127.49 3hgz s ILE 50 Ca -0.03 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 3hgz s ILE 50 Cb -0.04 -2.59 -0.06 0.00 0.01 0.00 0.00 42.46 39.78 3hgz s ILE 50 CO 0.03 0.46 0.68 -0.83 0.00 0.00 0.00 174.94 175.29 3hgz s GLY 51 N -1.23 1.98 0.00 6.18 0.00 0.43 -4.97 107.32 109.71 3hgz s GLY 51 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3hgz s GLY 51 CO 0.06 -0.13 0.00 0.70 0.00 0.00 0.00 173.10 173.73 3hgz n ASN 52 N -1.01 -0.46 -4.58 1.64 5.03 -1.26 -4.66 115.26 109.96 3hgz n ASN 52 Ca 0.01 -0.72 -0.50 0.00 0.87 0.00 0.00 54.58 54.23 3hgz n ASN 52 Cb 0.54 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.25 3hgz n ASN 52 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 3hgz n HIS 53 N -2.15 1.34 -3.06 3.10 -0.00 -1.26 -4.74 115.22 108.44 3hgz n HIS 53 Ca 0.00 0.68 -0.42 0.00 -0.00 0.00 0.00 57.72 57.98 3hgz n HIS 53 Cb 0.00 -2.29 -0.06 0.00 -0.00 0.00 0.00 29.99 27.64 3hgz n HIS 53 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3hgz s ILE 54 N 0.07 4.83 0.13 3.57 -1.09 -1.26 -4.73 121.20 122.72 3hgz s ILE 54 Ca 0.78 0.60 -0.31 0.00 -2.23 0.00 0.00 60.65 59.49 3hgz s ILE 54 Cb -0.90 -4.14 -0.11 0.00 -1.58 0.00 0.00 42.46 35.74 3hgz s ILE 54 CO 0.50 -0.40 1.83 -0.89 -1.23 0.00 0.00 174.94 174.76 3hgz s THR 55 N 2.85 2.48 0.31 2.92 2.01 -0.95 -4.94 115.64 120.33 3hgz s THR 55 Ca 0.26 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.32 3hgz s THR 55 Cb -0.14 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 3hgz s THR 55 CO 0.16 0.00 0.09 -1.59 -0.69 0.00 0.00 174.62 172.59 3hgz s LYS 56 N 2.67 1.60 0.39 4.92 -2.85 -1.26 -4.51 119.74 120.71 3hgz s LYS 56 Ca 0.81 -1.90 -0.27 0.00 -1.00 0.00 0.00 55.97 53.61 3hgz s LYS 56 Cb -0.46 -0.58 -0.10 0.00 -2.06 0.00 0.00 37.83 34.63 3hgz s LYS 56 CO 0.36 -0.28 1.38 0.45 0.10 0.00 0.00 175.35 177.37 3hgz s SER 57 N -3.44 6.31 0.41 0.03 0.15 -1.26 -4.90 113.70 111.00 3hgz s SER 57 Ca 0.35 2.84 0.16 0.00 0.70 0.00 0.00 55.95 59.99 3hgz s SER 57 Cb 0.07 -2.65 1.03 0.00 -1.71 0.00 0.00 66.02 62.76 3hgz s SER 57 CO 0.15 -0.87 1.87 -0.65 1.20 0.00 0.00 173.24 174.94 3hgz h PRO 58 N 2.82 0.44 -0.00 5.44 0.11 -1.90 -0.72 132.00 138.20 3hgz h PRO 58 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3hgz h PRO 58 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hgz h PRO 58 CO 0.63 0.29 -0.02 0.39 -0.21 0.00 0.00 178.00 179.08 3hgz n GLU 59 N -4.51 0.69 -2.86 1.05 -0.58 -1.26 -4.84 120.64 108.32 3hgz n GLU 59 Ca 0.18 -0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.42 3hgz n GLU 59 Cb 0.61 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.94 3hgz n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hgz s ASP 60 N -2.37 6.78 0.17 1.62 -1.08 -0.28 -4.93 116.67 116.59 3hgz s ASP 60 Ca 0.35 0.88 0.16 0.00 -0.52 0.00 0.00 52.55 53.42 3hgz s ASP 60 Cb 0.21 -2.45 -0.04 0.00 -1.46 0.00 0.00 42.92 39.18 3hgz s ASP 60 CO 0.43 -0.63 1.12 0.11 0.52 0.00 0.00 175.17 176.72 3hgz h LYS 61 N 7.94 0.00 -7.09 4.34 1.79 -1.88 -3.47 116.57 118.20 3hgz h LYS 61 Ca -0.23 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.69 3hgz h LYS 61 Cb 1.09 0.00 0.18 0.00 -1.58 0.00 0.00 32.23 31.91 3hgz h LYS 61 CO 0.91 0.39 0.29 0.54 -1.08 0.00 0.00 179.45 180.50 3hgz n ARG 62 N -3.04 0.49 -4.53 3.15 1.74 -1.26 -5.01 116.66 108.21 3hgz n ARG 62 Ca -0.04 0.23 -0.29 0.00 -0.77 0.00 0.00 57.85 56.98 3hgz n ARG 62 Cb 0.78 -2.38 -0.13 0.00 -1.02 0.00 0.00 32.46 29.71 3hgz n ARG 62 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hgz s GLU 63 N -3.68 1.57 -0.02 5.56 2.02 -0.60 -4.95 118.70 118.60 3hgz s GLU 63 Ca 0.75 -1.25 0.02 0.00 0.02 0.00 0.00 54.97 54.51 3hgz s GLU 63 Cb -0.33 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 3hgz s GLU 63 CO 0.48 0.47 -0.08 0.71 0.02 0.00 0.00 175.26 176.87 3hgz s TYR 64 N -1.00 0.76 -0.11 1.61 1.51 -1.26 -0.27 117.35 118.59 3hgz s TYR 64 Ca 0.14 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 56.02 3hgz s TYR 64 Cb -0.10 -0.52 0.04 0.00 -0.11 0.00 0.00 41.96 41.26 3hgz s TYR 64 CO 0.05 -0.05 0.02 0.50 -1.11 0.00 0.00 175.55 174.96 3hgz s ARG 65 N 0.04 0.58 0.24 -0.62 3.52 -0.75 -4.58 118.95 117.38 3hgz s ARG 65 Ca -0.00 -0.03 -0.11 0.00 -0.13 0.00 0.00 55.73 55.46 3hgz s ARG 65 Cb -0.06 -1.31 -0.07 0.00 -1.56 0.00 0.00 34.95 31.95 3hgz s ARG 65 CO -0.00 -0.41 0.57 0.20 -0.81 0.00 0.00 175.30 174.85 3hgz s GLY 66 N 1.96 2.30 0.01 8.12 0.00 -1.26 -0.91 107.32 117.54 3hgz s GLY 66 Ca 0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 3hgz s GLY 66 CO -0.06 -0.07 0.67 0.48 0.00 0.00 0.00 173.10 174.11 3hgz s LEU 67 N -2.79 -0.62 -0.30 0.66 0.05 -0.07 -0.43 118.68 115.18 3hgz s LEU 67 Ca 0.48 0.49 -0.05 0.00 0.05 0.00 0.00 54.13 55.09 3hgz s LEU 67 Cb -0.11 2.54 0.03 0.00 -2.05 0.00 0.00 46.19 46.59 3hgz s LEU 67 CO 0.21 -0.71 0.05 -0.70 -0.55 0.00 0.00 176.35 174.64 3hgz s GLU 68 N -1.98 2.80 0.95 1.48 2.12 -0.60 0.33 118.70 123.80 3hgz s GLU 68 Ca -0.07 -1.04 -0.11 0.00 0.36 0.00 0.00 54.97 54.11 3hgz s GLU 68 Cb -0.00 -3.30 0.16 0.00 0.26 0.00 0.00 34.13 31.25 3hgz s GLU 68 CO 0.03 -0.53 1.11 -0.51 -0.54 0.00 0.00 175.26 174.82 3hgz s LEU 69 N 1.40 2.41 0.39 2.70 1.43 -0.20 -0.40 118.68 126.42 3hgz s LEU 69 Ca -0.00 1.97 0.18 0.00 -1.03 0.00 0.00 54.13 55.24 3hgz s LEU 69 Cb -0.18 -4.29 0.81 0.00 0.03 0.00 0.00 46.19 42.56 3hgz s LEU 69 CO 0.01 -3.19 1.82 0.00 0.23 0.00 0.00 176.35 175.21 3hgz h ALA 70 N -1.93 1.18 0.00 4.21 0.00 -0.13 -1.41 119.26 121.17 3hgz h ALA 70 Ca -0.47 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3hgz h ALA 70 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hgz h ALA 70 CO 0.45 0.43 0.00 0.27 0.00 0.00 0.00 179.25 180.41 3hgz n ASN 71 N -3.76 0.00 0.00 0.00 0.23 -1.26 -4.89 115.26 105.58 3hgz n ASN 71 Ca -0.01 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 53.14 3hgz n ASN 71 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 3hgz n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hgz n GLY 72 N 0.56 0.08 3.71 4.83 0.00 -0.53 -3.53 105.19 110.31 3hgz n GLY 72 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hgz n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hgz s ILE 73 N -2.01 2.31 -0.18 -0.61 1.01 -1.14 -4.66 121.20 115.92 3hgz s ILE 73 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.61 3hgz s ILE 73 Cb 0.00 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3hgz s ILE 73 CO 0.00 0.01 0.53 -0.54 0.00 0.00 0.00 174.94 174.94 3hgz s LYS 74 N 1.54 4.23 0.03 2.79 1.02 -0.86 -1.03 119.74 127.46 3hgz s LYS 74 Ca 0.75 0.46 0.09 0.00 0.02 0.00 0.00 55.97 57.29 3hgz s LYS 74 Cb -0.47 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 3hgz s LYS 74 CO 0.33 -0.09 -0.26 0.08 -0.92 0.00 0.00 175.35 174.48 3hgz s VAL 75 N 1.44 2.10 -0.06 3.17 1.01 0.15 -0.64 120.40 127.56 3hgz s VAL 75 Ca 0.25 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 60.95 3hgz s VAL 75 Cb -0.15 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3hgz s VAL 75 CO 0.10 0.40 -0.19 -0.22 0.00 0.00 0.00 175.10 175.19 3hgz s LEU 76 N -1.12 1.92 -0.07 3.92 1.98 -0.58 -0.90 118.68 123.83 3hgz s LEU 76 Ca 0.11 -0.41 0.03 0.00 -2.89 0.00 0.00 54.13 50.97 3hgz s LEU 76 Cb -0.10 -1.10 -0.02 0.00 0.66 0.00 0.00 46.19 45.63 3hgz s LEU 76 CO 0.01 0.14 -0.16 -0.76 -1.89 0.00 0.00 176.35 173.69 3hgz s LEU 77 N 0.23 2.60 -0.14 -0.68 1.43 -0.08 -1.81 118.68 120.22 3hgz s LEU 77 Ca -0.10 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3hgz s LEU 77 Cb -0.14 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3hgz s LEU 77 CO 0.04 0.29 -0.14 -0.63 0.23 0.00 0.00 176.35 176.14 3hgz s ILE 78 N -0.40 1.54 -0.29 -0.59 1.01 0.91 -1.81 121.20 121.56 3hgz s ILE 78 Ca 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 3hgz s ILE 78 Cb -0.12 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 3hgz s ILE 78 CO 0.02 0.45 0.10 -0.55 0.00 0.00 0.00 174.94 174.97 3hgz s SER 79 N 1.41 5.27 -0.37 3.58 0.15 0.62 -1.53 113.70 122.83 3hgz s SER 79 Ca 0.03 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.13 3hgz s SER 79 Cb -0.13 -1.93 0.12 0.00 -1.71 0.00 0.00 66.02 62.37 3hgz s SER 79 CO -0.09 -0.17 0.19 -0.62 1.20 0.00 0.00 173.24 173.75 3hgz s ASP 80 N 1.56 3.59 0.53 5.45 -1.08 0.58 -1.56 116.67 125.74 3hgz s ASP 80 Ca 0.04 -2.18 0.29 0.00 -0.52 0.00 0.00 52.55 50.18 3hgz s ASP 80 Cb -0.17 -0.80 1.60 0.00 -1.46 0.00 0.00 42.92 42.09 3hgz s ASP 80 CO 0.04 -0.33 1.88 -0.65 0.52 0.00 0.00 175.17 176.63 3hgz h PRO 81 N 7.26 0.00 -0.50 4.34 0.11 -1.77 -2.23 132.00 139.22 3hgz h PRO 81 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3hgz h PRO 81 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3hgz h PRO 81 CO 0.43 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.47 3hgz n THR 82 N -2.65 0.82 -2.32 -1.15 -2.24 -1.26 -4.86 114.28 100.62 3hgz n THR 82 Ca -0.02 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.43 3hgz n THR 82 Cb 0.20 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 3hgz n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hgz s THR 83 N -1.11 3.80 0.16 4.28 -1.32 -0.84 -4.90 115.64 115.71 3hgz s THR 83 Ca 0.37 1.26 0.17 0.00 -1.21 0.00 0.00 61.69 62.28 3hgz s THR 83 Cb 0.20 -3.81 0.10 0.00 -1.51 0.00 0.00 72.50 67.48 3hgz s THR 83 CO 0.27 0.07 1.69 0.44 -2.21 0.00 0.00 174.62 174.87 3hgz h ASP 84 N 7.07 0.00 -3.74 8.08 3.32 -1.94 -3.43 116.42 125.77 3hgz h ASP 84 Ca -0.40 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.14 3hgz h ASP 84 Cb 1.20 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.43 3hgz h ASP 84 CO 0.85 0.43 -0.82 -0.54 -1.72 0.00 0.00 179.24 177.44 3hgz s LYS 85 N -3.55 1.51 0.37 3.56 1.02 -1.26 -2.51 119.74 118.89 3hgz s LYS 85 Ca 0.00 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.56 3hgz s LYS 85 Cb 0.11 -1.31 -0.02 0.00 -0.52 0.00 0.00 37.83 36.09 3hgz s LYS 85 CO 0.70 0.15 0.55 -1.12 -0.92 0.00 0.00 175.35 174.70 3hgz s SER 86 N 0.25 6.04 0.15 2.83 0.01 0.10 -4.79 113.70 118.30 3hgz s SER 86 Ca -0.06 0.16 -0.19 0.00 1.31 0.00 0.00 55.95 57.17 3hgz s SER 86 Cb -0.12 -1.61 0.05 0.00 0.21 0.00 0.00 66.02 64.55 3hgz s SER 86 CO 0.02 -0.45 0.50 -0.94 0.41 0.00 0.00 173.24 172.78 3hgz s SER 87 N -4.13 -0.39 0.09 2.44 1.04 -0.61 -1.07 113.70 111.07 3hgz s SER 87 Ca 0.44 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.68 3hgz s SER 87 Cb -0.10 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3hgz s SER 87 CO 0.34 -0.92 -0.04 0.00 0.98 0.00 0.00 173.24 173.60 3hgz s ALA 88 N -3.79 0.84 0.01 5.32 0.00 -0.94 -1.19 121.76 122.02 3hgz s ALA 88 Ca 0.03 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 3hgz s ALA 88 Cb 0.00 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.40 3hgz s ALA 88 CO -0.12 -0.30 0.20 0.00 0.00 0.00 0.00 175.76 175.54 3hgz s ALA 89 N -3.75 -0.46 -0.04 0.00 0.00 -0.60 -1.47 121.76 115.44 3hgz s ALA 89 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 3hgz s ALA 89 Cb 0.06 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3hgz s ALA 89 CO -0.05 -0.27 -0.00 -1.17 0.00 0.00 0.00 175.76 174.27 3hgz s LEU 90 N -1.57 0.96 -0.18 0.00 0.20 -0.27 -0.91 118.68 116.92 3hgz s LEU 90 Ca -0.12 -0.05 -0.05 0.00 0.69 0.00 0.00 54.13 54.60 3hgz s LEU 90 Cb -0.05 -0.31 -0.03 0.00 -0.43 0.00 0.00 46.19 45.37 3hgz s LEU 90 CO 0.01 -0.13 -0.00 -0.62 -0.29 0.00 0.00 176.35 175.32 3hgz s ASP 91 N 1.35 5.00 -0.24 3.68 2.15 -0.06 -1.53 116.67 127.01 3hgz s ASP 91 Ca -0.05 -0.11 -0.08 0.00 0.43 0.00 0.00 52.55 52.75 3hgz s ASP 91 Cb -0.13 -1.84 -0.03 0.00 -0.30 0.00 0.00 42.92 40.62 3hgz s ASP 91 CO -0.02 0.13 0.08 -0.69 -0.17 0.00 0.00 175.17 174.50 3hgz s VAL 92 N 0.60 4.47 0.00 1.11 1.01 0.54 -1.33 120.40 126.79 3hgz s VAL 92 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 3hgz s VAL 92 Cb -0.14 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.07 3hgz s VAL 92 CO 0.02 0.35 2.00 1.57 0.00 0.00 0.00 175.10 179.04 3hgz n HIS 93 N 4.71 0.00 -4.14 5.22 -0.00 0.60 -1.44 115.22 120.18 3hgz n HIS 93 Ca -0.16 -0.85 -0.15 0.00 0.46 0.00 0.00 57.72 57.02 3hgz n HIS 93 Cb 0.52 -0.83 -0.13 0.00 -0.12 0.00 0.00 29.99 29.43 3hgz n HIS 93 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 3hgz s ILE 94 N 1.17 0.53 0.00 3.57 1.10 -0.94 -4.77 121.20 121.85 3hgz s ILE 94 Ca 0.23 -0.67 0.00 0.00 -0.51 0.00 0.00 60.65 59.70 3hgz s ILE 94 Cb 0.11 -0.52 0.00 0.00 0.15 0.00 0.00 42.46 42.20 3hgz s ILE 94 CO 0.00 -0.12 0.00 0.61 -2.11 0.00 0.00 174.94 173.32 3hgz n GLY 95 N 2.20 3.76 0.28 1.50 0.00 -1.20 -2.18 105.19 109.54 3hgz n GLY 95 Ca -0.18 -1.22 0.17 0.00 0.00 0.00 0.00 46.02 44.79 3hgz n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hgz h SER 96 N 0.00 0.00 0.00 1.61 4.64 -0.76 0.14 113.55 119.18 3hgz h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hgz h SER 96 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hgz h SER 96 CO 0.00 0.01 0.12 0.18 -0.87 0.00 0.00 176.83 176.28 3hgz n LEU 97 N -3.12 0.42 -0.82 5.97 4.32 -0.72 -0.41 117.00 122.64 3hgz n LEU 97 Ca 0.00 0.65 0.08 0.00 -0.02 0.00 0.00 56.01 56.72 3hgz n LEU 97 Cb 0.29 -0.66 0.17 0.00 -1.62 0.00 0.00 43.42 41.60 3hgz n LEU 97 CO 0.27 -0.79 0.63 -1.20 -1.22 0.00 0.00 177.39 175.08 3hgz n SER 98 N -2.09 3.03 -4.70 -1.43 7.64 0.04 -4.90 113.62 111.21 3hgz n SER 98 Ca -0.01 -1.91 -0.43 0.00 1.01 0.00 0.00 58.87 57.53 3hgz n SER 98 Cb 0.15 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.09 3hgz n SER 98 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hgz n ASP 99 N 0.91 3.00 -4.70 6.43 10.43 0.45 -4.92 116.55 128.16 3hgz n ASP 99 Ca 0.14 1.17 -0.43 0.00 2.57 0.00 0.00 54.79 58.24 3hgz n ASP 99 Cb 0.47 -1.49 -0.02 0.00 1.84 0.00 0.00 41.12 41.92 3hgz n ASP 99 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3hgz n PRO 100 N 1.36 2.21 -0.36 -0.24 -0.02 -1.26 -4.84 135.00 131.85 3hgz n PRO 100 Ca 0.08 0.78 0.37 0.00 -2.02 0.00 0.00 63.50 62.71 3hgz n PRO 100 Cb 0.35 -2.45 0.76 0.00 -0.02 0.00 0.00 33.50 32.13 3hgz n PRO 100 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hgz h PRO 101 N 3.84 0.01 -0.02 0.52 0.11 -1.99 -1.46 132.00 133.00 3hgz h PRO 101 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hgz h PRO 101 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hgz h PRO 101 CO 0.72 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.79 3hgz n ASN 102 N -4.17 2.41 -3.63 -2.05 2.04 -1.26 -4.53 115.26 104.08 3hgz n ASN 102 Ca 0.27 -1.71 -0.28 0.00 -0.44 0.00 0.00 54.58 52.43 3hgz n ASN 102 Cb 1.31 -0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 38.45 3hgz n ASN 102 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3hgz s ILE 103 N -1.41 1.52 0.13 1.53 -1.09 -0.55 -4.86 121.20 116.47 3hgz s ILE 103 Ca 0.20 -3.39 -0.31 0.00 -2.23 0.00 0.00 60.65 54.91 3hgz s ILE 103 Cb 0.14 -2.01 -0.09 0.00 -1.58 0.00 0.00 42.46 38.91 3hgz s ILE 103 CO 0.21 -1.13 1.55 0.00 -1.23 0.00 0.00 174.94 174.34 3hgz s ALA 104 N -0.63 3.72 0.00 9.38 0.00 -1.26 -3.13 121.76 129.84 3hgz s ALA 104 Ca 0.29 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3hgz s ALA 104 Cb -0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3hgz s ALA 104 CO -0.18 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.18 3hgz n GLY 105 N 3.75 0.62 0.20 0.00 0.00 -1.22 -4.29 105.19 104.24 3hgz n GLY 105 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 3hgz n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hgz h LEU 106 N 0.00 0.43 -0.07 0.99 5.85 -1.84 0.95 115.31 121.63 3hgz h LEU 106 Ca 0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3hgz h LEU 106 Cb 0.00 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3hgz h LEU 106 CO 0.00 0.31 -0.31 0.28 -0.34 0.00 0.00 178.44 178.38 3hgz h SER 107 N 0.55 -0.94 -0.48 1.25 0.02 -1.89 0.15 113.55 112.20 3hgz h SER 107 Ca 0.19 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.32 3hgz h SER 107 Cb 0.04 0.39 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3hgz h SER 107 CO -0.10 -0.36 0.24 -0.74 -1.14 0.00 0.00 176.83 174.74 3hgz h HIS 108 N -0.42 0.45 -0.11 3.45 -0.00 -1.70 -2.03 115.15 114.79 3hgz h HIS 108 Ca 0.08 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.49 3hgz h HIS 108 Cb 0.54 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 3hgz h HIS 108 CO -0.37 0.23 -0.04 0.35 -0.00 0.00 0.00 177.93 178.10 3hgz h PHE 109 N 0.48 -0.08 -0.47 5.26 3.57 -0.44 -2.49 116.94 122.78 3hgz h PHE 109 Ca 0.21 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.81 3hgz h PHE 109 Cb 0.11 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 3hgz h PHE 109 CO -0.10 -0.06 -0.09 1.25 -2.23 0.00 0.00 178.31 177.08 3hgz h LEU 110 N -0.01 -0.38 -1.47 0.59 6.46 -0.41 -0.80 115.31 119.29 3hgz h LEU 110 Ca 0.06 0.13 0.18 0.00 -0.12 0.00 0.00 57.88 58.13 3hgz h LEU 110 Cb 0.10 0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 3hgz h LEU 110 CO -0.12 -0.14 0.57 -0.61 -0.62 0.00 0.00 178.44 177.52 3hgz h GLN 111 N 0.02 0.47 -0.26 1.25 4.15 -1.04 -0.06 115.11 119.65 3hgz h GLN 111 Ca 0.23 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.46 3hgz h GLN 111 Cb 0.35 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3hgz h GLN 111 CO -0.46 0.31 -0.47 0.45 -1.93 0.00 0.00 178.83 176.73 3hgz h HIS 112 N 0.48 0.97 -0.20 3.99 3.86 -0.74 -3.34 115.15 120.17 3hgz h HIS 112 Ca 0.44 -0.34 -0.14 0.00 -1.16 0.00 0.00 60.37 59.17 3hgz h HIS 112 Cb 0.98 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 3hgz h HIS 112 CO -0.00 1.14 -0.46 0.52 0.86 0.00 0.00 177.93 179.99 3hgz h MET 113 N 0.52 0.52 0.00 2.45 2.86 -0.33 -3.00 114.93 117.95 3hgz h MET 113 Ca 0.01 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3hgz h MET 113 Cb 1.08 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3hgz h MET 113 CO 0.11 0.87 0.23 -0.07 1.06 0.00 0.00 176.91 179.11 3hgz h LEU 114 N 0.42 0.00 0.00 1.22 3.38 -1.24 0.30 115.31 119.39 3hgz h LEU 114 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hgz h LEU 114 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3hgz h LEU 114 CO 0.09 0.00 -0.03 -0.26 0.09 0.00 0.00 178.44 178.32 3hgz h PHE 115 N 0.00 0.00 -0.93 1.13 -1.00 -1.73 -3.39 116.94 111.01 3hgz h PHE 115 Ca 0.00 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.33 3hgz h PHE 115 Cb 0.47 0.00 -0.27 0.00 3.61 0.00 0.00 35.95 39.76 3hgz h PHE 115 CO 0.00 0.01 0.56 1.28 -1.61 0.00 0.00 178.31 178.56 3hgz n LEU 116 N -3.10 6.58 0.00 1.54 4.77 0.11 -4.74 117.00 122.15 3hgz n LEU 116 Ca 0.04 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.52 3hgz n LEU 116 Cb 0.54 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3hgz n LEU 116 CO 0.34 0.99 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 3hgz n GLY 117 N -0.90 4.06 3.59 -0.72 0.00 -1.25 -4.50 105.19 105.48 3hgz n GLY 117 Ca 0.55 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 3hgz n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hgz s THR 118 N -0.29 1.24 0.08 2.61 -4.23 -0.77 0.06 115.64 114.34 3hgz s THR 118 Ca 0.00 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.25 3hgz s THR 118 Cb 0.00 -2.58 -0.16 0.00 1.34 0.00 0.00 72.50 71.10 3hgz s THR 118 CO 0.00 0.00 1.67 0.11 -0.54 0.00 0.00 174.62 175.86 3hgz h LYS 119 N 1.76 -0.25 0.00 3.99 1.57 -1.32 -1.85 116.57 120.47 3hgz h LYS 119 Ca -0.41 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.33 3hgz h LYS 119 Cb 1.27 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 3hgz h LYS 119 CO 0.71 -0.14 -0.28 -0.22 -0.57 0.00 0.00 179.45 178.95 3hgz h LYS 120 N -0.29 0.00 -2.32 3.15 3.64 -1.97 -3.34 116.57 115.45 3hgz h LYS 120 Ca -0.03 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.77 3hgz h LYS 120 Cb 0.22 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.64 3hgz h LYS 120 CO 0.04 0.28 -0.83 0.66 -2.27 0.00 0.00 179.45 177.33 3hgz n TYR 121 N -3.90 1.39 0.54 1.91 4.02 -1.08 -4.96 117.16 115.08 3hgz n TYR 121 Ca -0.02 -3.83 0.12 0.00 -0.01 0.00 0.00 57.90 54.17 3hgz n TYR 121 Cb 0.36 -0.35 0.45 0.00 -0.02 0.00 0.00 39.34 39.78 3hgz n TYR 121 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3hgz n PRO 122 N 1.60 0.19 -2.11 -0.72 -0.04 -0.72 -1.84 135.00 131.37 3hgz n PRO 122 Ca 0.25 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.58 3hgz n PRO 122 Cb 0.45 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 32.10 3hgz n PRO 122 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3hgz s LYS 123 N -3.18 4.19 0.35 0.54 2.20 -1.26 -4.68 119.74 117.89 3hgz s LYS 123 Ca 0.08 2.06 0.16 0.00 -0.36 0.00 0.00 55.97 57.91 3hgz s LYS 123 Cb 0.11 -3.93 1.14 0.00 -1.51 0.00 0.00 37.83 33.65 3hgz s LYS 123 CO 0.48 -0.81 1.64 1.49 -0.36 0.00 0.00 175.35 177.79 3hgz h GLU 124 N 9.20 0.23 -0.03 4.03 4.81 -1.85 -1.11 114.58 129.87 3hgz h GLU 124 Ca -0.36 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 3hgz h GLU 124 Cb 1.16 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3hgz h GLU 124 CO 0.96 0.15 -0.36 0.27 -0.73 0.00 0.00 179.01 179.30 3hgz n ASN 125 N -5.11 1.93 -0.26 1.04 2.04 -1.26 -3.84 115.26 109.80 3hgz n ASN 125 Ca 0.33 -3.73 -0.05 0.00 -0.44 0.00 0.00 54.58 50.69 3hgz n ASN 125 Cb 1.05 -0.52 0.06 0.00 -2.53 0.00 0.00 39.78 37.84 3hgz n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3hgz h GLU 126 N 0.82 0.96 0.29 -3.83 4.57 -1.52 0.22 114.58 116.09 3hgz h GLU 126 Ca 0.02 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3hgz h GLU 126 Cb 1.06 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3hgz h GLU 126 CO 0.04 0.65 -0.14 -0.92 -1.18 0.00 0.00 179.01 177.46 3hgz h TYR 127 N 0.98 -0.36 -0.89 0.92 5.03 -1.85 0.18 116.97 120.98 3hgz h TYR 127 Ca 0.26 -0.01 0.26 0.00 2.58 0.00 0.00 58.73 61.82 3hgz h TYR 127 Cb -0.08 0.12 -0.16 0.00 1.55 0.00 0.00 36.73 38.15 3hgz h TYR 127 CO -0.02 -0.22 0.06 0.45 -1.32 0.00 0.00 178.16 177.11 3hgz n SER 128 N -3.44 -0.06 -0.03 -2.11 2.88 -1.21 -1.63 113.62 108.03 3hgz n SER 128 Ca -0.05 1.50 -0.15 0.00 -1.33 0.00 0.00 58.87 58.84 3hgz n SER 128 Cb 0.15 -0.57 -0.10 0.00 -0.75 0.00 0.00 64.21 62.95 3hgz n SER 128 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3hgz h GLN 129 N 0.00 0.34 -0.70 -1.46 4.15 -0.52 -3.01 115.11 113.92 3hgz h GLN 129 Ca 0.56 -0.29 0.13 0.00 0.77 0.00 0.00 58.65 59.82 3hgz h GLN 129 Cb 1.19 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.86 3hgz h GLN 129 CO -0.82 0.94 0.23 0.35 -1.93 0.00 0.00 178.83 177.60 3hgz h PHE 130 N -0.17 0.38 -0.41 3.99 3.57 0.34 -1.87 116.94 122.77 3hgz h PHE 130 Ca -0.03 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 3hgz h PHE 130 Cb 1.03 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3hgz h PHE 130 CO 0.14 0.01 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.95 3hgz h LEU 131 N 0.36 0.83 -0.69 0.59 3.38 -1.44 -2.61 115.31 115.73 3hgz h LEU 131 Ca 0.38 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hgz h LEU 131 Cb 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3hgz h LEU 131 CO -0.41 1.02 0.28 -1.28 0.09 0.00 0.00 178.44 178.13 3hgz h SER 132 N 0.72 0.96 0.74 -0.43 0.87 -1.28 0.77 113.55 115.88 3hgz h SER 132 Ca 0.10 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3hgz h SER 132 Cb 0.73 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3hgz h SER 132 CO 0.06 0.87 0.00 -0.62 -0.53 0.00 0.00 176.83 176.61 3hgz n GLU 133 N -4.37 0.09 -0.63 2.24 1.02 -0.75 -3.32 120.64 114.91 3hgz n GLU 133 Ca 0.05 0.27 0.06 0.00 -0.02 0.00 0.00 57.16 57.52 3hgz n GLU 133 Cb 0.18 -1.66 0.12 0.00 -0.02 0.00 0.00 31.44 30.06 3hgz n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hgz n HIS 134 N -1.83 0.00 -2.50 -0.32 8.25 -0.87 -4.49 115.22 113.46 3hgz n HIS 134 Ca 0.04 -0.91 -0.16 0.00 -0.26 0.00 0.00 57.72 56.43 3hgz n HIS 134 Cb 0.24 -0.17 0.01 0.00 1.12 0.00 0.00 29.99 31.18 3hgz n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hgz n ALA 135 N -0.68 -0.55 -2.52 -1.41 0.00 -0.57 -2.06 120.51 112.73 3hgz n ALA 135 Ca 0.12 0.16 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 3hgz n ALA 135 Cb 0.78 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.94 3hgz n ALA 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hgz s GLY 136 N -2.51 2.51 0.17 0.00 0.00 0.26 -4.20 107.32 103.54 3hgz s GLY 136 Ca 0.09 -1.58 -0.16 0.00 0.00 0.00 0.00 44.72 43.07 3hgz s GLY 136 CO 0.11 -2.00 0.45 -1.35 0.00 0.00 0.00 173.10 170.30 3hgz s SER 137 N -3.96 -0.21 0.12 1.64 1.04 -0.87 -4.05 113.70 107.41 3hgz s SER 137 Ca 0.31 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 56.17 3hgz s SER 137 Cb 0.03 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.67 3hgz s SER 137 CO 0.18 -0.96 0.28 -0.55 0.98 0.00 0.00 173.24 173.17 3hgz s SER 138 N -2.86 0.01 0.06 7.02 0.15 -1.26 -1.55 113.70 115.26 3hgz s SER 138 Ca 0.08 -0.64 -0.27 0.00 0.70 0.00 0.00 55.95 55.82 3hgz s SER 138 Cb 0.01 0.41 0.09 0.00 -1.71 0.00 0.00 66.02 64.82 3hgz s SER 138 CO -0.06 -0.82 1.19 0.21 1.20 0.00 0.00 173.24 174.96 3hgz s ASN 139 N -2.88 -0.02 0.12 5.45 2.47 -0.65 -5.01 114.94 114.42 3hgz s ASN 139 Ca 0.08 -0.35 -0.24 0.00 0.42 0.00 0.00 52.86 52.76 3hgz s ASN 139 Cb 0.03 0.28 0.08 0.00 -1.45 0.00 0.00 41.25 40.20 3hgz s ASN 139 CO -0.07 -0.56 0.68 0.00 -3.72 0.00 0.00 177.10 173.43 3hgz s ALA 140 N -2.22 -1.65 0.00 1.71 0.00 -1.26 -1.13 121.76 117.22 3hgz s ALA 140 Ca 0.23 0.61 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 3hgz s ALA 140 Cb -0.00 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.89 3hgz s ALA 140 CO 0.01 -0.75 0.17 -0.59 0.00 0.00 0.00 175.76 174.59 3hgz s PHE 141 N -3.59 0.01 -0.13 0.00 -0.71 -0.55 -5.00 117.98 108.01 3hgz s PHE 141 Ca 0.02 -0.08 -0.03 0.00 -1.04 0.00 0.00 56.93 55.80 3hgz s PHE 141 Cb -0.01 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.74 3hgz s PHE 141 CO -0.12 -0.31 -0.04 0.99 -1.34 0.00 0.00 175.22 174.41 3hgz s THR 142 N -1.43 3.94 0.00 -4.49 2.01 -1.26 -1.57 115.64 112.83 3hgz s THR 142 Ca -0.14 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.50 3hgz s THR 142 Cb -0.07 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.75 3hgz s THR 142 CO 0.02 0.53 0.00 -1.54 -0.69 0.00 0.00 174.62 172.94 3hgz n SER 143 N 3.06 1.37 -0.24 3.53 3.41 0.29 -4.96 113.62 120.07 3hgz n SER 143 Ca -0.18 -0.27 -0.05 0.00 -0.26 0.00 0.00 58.87 58.11 3hgz n SER 143 Cb 0.53 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.53 3hgz n SER 143 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hgz h GLY 144 N 0.00 0.97 0.00 5.00 0.00 -1.94 -0.03 103.07 107.08 3hgz h GLY 144 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3hgz h GLY 144 CO 0.00 0.37 0.00 1.18 0.00 0.00 0.00 176.54 178.09 3hgz n GLU 145 N -4.59 1.63 -3.83 4.80 1.02 -1.26 -1.75 120.64 116.67 3hgz n GLU 145 Ca 0.06 -1.06 -0.12 0.00 -0.02 0.00 0.00 57.16 56.02 3hgz n GLU 145 Cb 0.03 -0.85 -0.10 0.00 -0.02 0.00 0.00 31.44 30.50 3hgz n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3hgz s HIS 146 N -0.58 -0.08 -0.10 -0.32 3.76 -1.16 -2.22 115.29 114.59 3hgz s HIS 146 Ca 0.00 0.15 -0.00 0.00 -0.15 0.00 0.00 55.06 55.06 3hgz s HIS 146 Cb 0.00 0.01 0.02 0.00 1.11 0.00 0.00 32.58 33.73 3hgz s HIS 146 CO 0.00 -0.24 -0.06 0.99 -0.85 0.00 0.00 174.74 174.57 3hgz s THR 147 N -0.89 0.86 -0.13 1.30 2.01 -0.52 -0.55 115.64 117.72 3hgz s THR 147 Ca -0.10 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.72 3hgz s THR 147 Cb -0.05 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.57 3hgz s THR 147 CO 0.02 0.34 -0.18 0.21 -0.69 0.00 0.00 174.62 174.31 3hgz s ASN 148 N 1.64 2.82 -0.02 3.53 3.84 -0.61 -0.34 114.94 125.79 3hgz s ASN 148 Ca 0.03 -0.53 0.07 0.00 0.21 0.00 0.00 52.86 52.64 3hgz s ASN 148 Cb -0.13 -1.29 -0.02 0.00 -0.55 0.00 0.00 41.25 39.27 3hgz s ASN 148 CO -0.06 0.03 -0.24 -0.31 -2.79 0.00 0.00 177.10 173.73 3hgz s TYR 149 N 1.00 2.19 0.05 0.43 1.51 -0.58 -1.48 117.35 120.47 3hgz s TYR 149 Ca -0.04 -0.45 -0.14 0.00 -1.01 0.00 0.00 57.07 55.43 3hgz s TYR 149 Cb -0.15 -1.42 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 3hgz s TYR 149 CO -0.04 -0.06 0.31 1.52 -1.11 0.00 0.00 175.55 176.17 3hgz s TYR 150 N -0.51 -0.11 0.12 2.71 -0.85 -0.28 -1.11 117.35 117.32 3hgz s TYR 150 Ca 0.08 -0.02 -0.11 0.00 -0.52 0.00 0.00 57.07 56.49 3hgz s TYR 150 Cb -0.10 0.10 0.01 0.00 0.38 0.00 0.00 41.96 42.35 3hgz s TYR 150 CO -0.00 -0.51 0.29 -0.59 -1.52 0.00 0.00 175.55 173.21 3hgz s PHE 151 N -2.59 0.10 0.35 -3.49 -0.12 -0.54 -1.64 117.98 110.06 3hgz s PHE 151 Ca -0.05 -0.48 0.05 0.00 -0.05 0.00 0.00 56.93 56.40 3hgz s PHE 151 Cb -0.01 0.05 -0.07 0.00 -0.63 0.00 0.00 43.02 42.37 3hgz s PHE 151 CO -0.04 -0.65 0.04 0.16 -0.05 0.00 0.00 175.22 174.69 3hgz s ASP 152 N -2.87 2.83 -0.13 1.98 3.84 -0.60 -2.21 116.67 119.52 3hgz s ASP 152 Ca 0.08 -1.38 -0.31 0.00 -0.00 0.00 0.00 52.55 50.94 3hgz s ASP 152 Cb 0.03 -0.16 0.13 0.00 -1.38 0.00 0.00 42.92 41.54 3hgz s ASP 152 CO -0.08 -0.57 1.04 0.54 -0.00 0.00 0.00 175.17 176.10 3hgz s VAL 153 N -3.12 0.00 -0.07 2.11 0.11 -0.23 -2.06 120.40 117.14 3hgz s VAL 153 Ca 0.36 0.00 -0.39 0.00 -2.93 0.00 0.00 61.98 59.02 3hgz s VAL 153 Cb 0.09 -1.00 -0.17 0.00 -1.53 0.00 0.00 36.38 33.77 3hgz s VAL 153 CO 0.16 0.00 1.41 -0.24 -3.33 0.00 0.00 175.10 173.10 3hgz n SER 154 N 0.27 1.47 -0.01 3.54 2.88 -0.87 0.02 113.62 120.91 3hgz n SER 154 Ca -0.07 1.12 0.23 0.00 -1.33 0.00 0.00 58.87 58.83 3hgz n SER 154 Cb 0.59 -1.10 0.68 0.00 -0.75 0.00 0.00 64.21 63.63 3hgz n SER 154 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3hgz h HIS 155 N 4.95 0.00 -0.31 0.66 2.07 -1.76 0.13 115.15 120.89 3hgz h HIS 155 Ca -0.48 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 56.89 3hgz h HIS 155 Cb 1.35 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.33 3hgz h HIS 155 CO 0.64 0.00 -0.41 0.93 -3.07 0.00 0.00 177.93 176.02 3hgz h GLU 156 N 0.00 0.75 -1.00 5.12 5.08 -1.89 -3.31 114.58 119.33 3hgz h GLU 156 Ca 0.29 -0.39 -0.43 0.00 -1.00 0.00 0.00 59.36 57.83 3hgz h GLU 156 Cb 1.60 0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.61 3hgz h GLU 156 CO -0.00 1.02 0.54 0.72 -1.00 0.00 0.00 179.01 180.28 3hgz n HIS 157 N -4.04 2.52 0.03 4.33 8.25 0.45 -4.47 115.22 122.29 3hgz n HIS 157 Ca -0.02 -1.61 -0.12 0.00 -0.26 0.00 0.00 57.72 55.71 3hgz n HIS 157 Cb 0.54 -0.83 -0.07 0.00 1.12 0.00 0.00 29.99 30.75 3hgz n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hgz h LEU 158 N 1.01 0.03 -0.62 2.41 6.46 -1.68 -2.76 115.31 120.16 3hgz h LEU 158 Ca 0.52 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.34 3hgz h LEU 158 Cb 2.53 -0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 42.34 3hgz h LEU 158 CO 0.91 0.05 -0.46 -0.08 -0.62 0.00 0.00 178.44 178.24 3hgz h GLU 159 N -0.00 -0.21 -0.13 1.25 4.57 -1.91 0.32 114.58 118.47 3hgz h GLU 159 Ca 0.01 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.04 3hgz h GLU 159 Cb 0.03 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3hgz h GLU 159 CO -0.00 -0.14 -0.61 0.78 -1.18 0.00 0.00 179.01 177.86 3hgz h GLY 160 N -0.22 0.50 0.58 1.92 0.00 -1.90 -1.49 103.07 102.46 3hgz h GLY 160 Ca 0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3hgz h GLY 160 CO -0.72 0.55 -0.13 0.00 0.00 0.00 0.00 176.54 176.24 3hgz h ALA 161 N 1.00 0.10 -0.82 3.60 0.00 -1.30 -2.68 119.26 119.15 3hgz h ALA 161 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3hgz h ALA 161 Cb 1.15 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3hgz h ALA 161 CO 0.11 -0.01 0.46 1.25 0.00 0.00 0.00 179.25 181.06 3hgz h LEU 162 N -0.30 1.01 0.45 0.00 5.85 -0.87 -1.22 115.31 120.21 3hgz h LEU 162 Ca 0.00 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3hgz h LEU 162 Cb 0.72 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3hgz h LEU 162 CO 0.03 0.80 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.91 3hgz h ASP 163 N 1.14 -0.56 -0.70 1.25 -0.00 -1.28 0.28 116.42 116.56 3hgz h ASP 163 Ca 0.29 0.02 0.04 0.00 -0.00 0.00 0.00 57.03 57.38 3hgz h ASP 163 Cb 0.00 0.15 -0.04 0.00 -0.00 0.00 0.00 39.33 39.44 3hgz h ASP 163 CO -0.05 -0.38 0.46 0.03 -0.00 0.00 0.00 179.24 179.30 3hgz h ARG 164 N -0.63 0.81 -0.38 0.28 3.08 -1.23 -1.99 114.38 114.32 3hgz h ARG 164 Ca -0.06 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3hgz h ARG 164 Cb 0.49 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3hgz h ARG 164 CO 0.09 0.54 -0.02 0.35 -1.07 0.00 0.00 179.97 179.85 3hgz h PHE 165 N 0.83 0.75 -0.42 3.04 3.04 -0.88 -3.14 116.94 120.17 3hgz h PHE 165 Ca 0.28 -0.14 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 3hgz h PHE 165 Cb 0.08 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 3hgz h PHE 165 CO -0.00 0.78 0.26 0.00 -2.02 0.00 0.00 178.31 177.33 3hgz h ALA 166 N 0.86 1.66 -0.36 2.41 0.00 0.32 -2.02 119.26 122.13 3hgz h ALA 166 Ca 0.10 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3hgz h ALA 166 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hgz h ALA 166 CO 0.02 0.30 0.25 1.96 0.00 0.00 0.00 179.25 181.79 3hgz h GLN 167 N 0.57 0.09 -0.65 0.00 1.08 -1.44 -1.42 115.11 113.35 3hgz h GLN 167 Ca 0.15 -0.01 0.19 0.00 -1.45 0.00 0.00 58.65 57.53 3hgz h GLN 167 Cb -0.03 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 3hgz h GLN 167 CO -0.03 0.06 0.52 0.74 -0.95 0.00 0.00 178.83 179.17 3hgz h PHE 168 N 0.10 0.00 -0.43 2.96 -1.00 -1.48 0.65 116.94 117.75 3hgz h PHE 168 Ca 0.17 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.95 3hgz h PHE 168 Cb 0.54 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 3hgz h PHE 168 CO -0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 3hgz n PHE 169 N -4.10 0.59 0.03 -0.55 3.72 -0.54 -4.42 117.46 112.20 3hgz n PHE 169 Ca 0.13 -0.51 -0.01 0.00 -0.05 0.00 0.00 57.45 57.00 3hgz n PHE 169 Cb 0.77 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 39.27 3hgz n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hgz n LEU 170 N 0.72 1.06 -2.92 4.37 4.77 0.15 -4.87 117.00 120.28 3hgz n LEU 170 Ca 0.15 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 3hgz n LEU 170 Cb 0.48 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3hgz n LEU 170 CO 0.10 -0.61 0.01 -1.54 -1.33 0.00 0.00 177.39 174.03 3hgz n SER 171 N -3.52 -1.94 -4.75 -1.43 3.41 -0.75 -5.08 113.62 99.55 3hgz n SER 171 Ca -0.02 -3.02 -0.38 0.00 -0.26 0.00 0.00 58.87 55.19 3hgz n SER 171 Cb 0.12 0.97 0.03 0.00 -0.26 0.00 0.00 64.21 65.06 3hgz n SER 171 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3hgz s PRO 172 N 0.14 3.30 0.16 4.33 0.04 -1.25 -0.87 135.00 140.84 3hgz s PRO 172 Ca 0.33 2.16 0.02 0.00 0.04 0.00 0.00 61.00 63.55 3hgz s PRO 172 Cb 0.17 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3hgz s PRO 172 CO -0.18 -1.04 1.36 -0.07 0.04 0.00 0.00 177.00 177.11 3hgz h LEU 173 N 1.64 0.25 -3.28 -3.56 3.38 -0.67 -3.45 115.31 109.63 3hgz h LEU 173 Ca -0.51 -0.21 -0.59 0.00 0.09 0.00 0.00 57.88 56.67 3hgz h LEU 173 Cb 1.29 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 3hgz h LEU 173 CO 0.58 1.02 -0.96 0.49 0.09 0.00 0.00 178.44 179.67 3hgz n PHE 174 N -3.64 -1.27 -1.62 1.13 3.01 -1.26 -4.81 117.46 109.00 3hgz n PHE 174 Ca -0.04 0.24 -0.46 0.00 1.01 0.00 0.00 57.45 58.20 3hgz n PHE 174 Cb 0.82 -2.65 -0.03 0.00 -0.01 0.00 0.00 39.48 37.61 3hgz n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3hgz n ASP 175 N -2.27 1.88 -0.12 4.37 2.03 -1.26 -4.81 116.55 116.38 3hgz n ASP 175 Ca -0.18 1.15 -0.05 0.00 0.52 0.00 0.00 54.79 56.23 3hgz n ASP 175 Cb 0.58 -1.32 0.03 0.00 -0.72 0.00 0.00 41.12 39.70 3hgz n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3hgz h GLU 176 N 3.31 0.23 0.00 -0.67 4.57 -2.00 -0.06 114.58 119.96 3hgz h GLU 176 Ca -0.43 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.65 3hgz h GLU 176 Cb 1.32 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 3hgz h GLU 176 CO 0.69 0.15 -0.64 0.66 -1.18 0.00 0.00 179.01 178.69 3hgz h SER 177 N 0.24 0.00 -0.65 1.04 4.64 -2.00 -2.70 113.55 114.11 3hgz h SER 177 Ca 0.19 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 3hgz h SER 177 Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3hgz h SER 177 CO -0.24 0.35 0.16 0.00 -0.87 0.00 0.00 176.83 176.23 3hgz h ALA 178 N 1.65 0.86 0.09 5.18 0.00 -1.85 -2.70 119.26 122.48 3hgz h ALA 178 Ca -0.03 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3hgz h ALA 178 Cb 1.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3hgz h ALA 178 CO 0.04 0.57 -0.21 -0.22 0.00 0.00 0.00 179.25 179.44 3hgz h LYS 179 N 0.97 -0.37 -0.95 0.00 3.64 -0.79 0.90 116.57 119.97 3hgz h LYS 179 Ca 0.20 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.82 3hgz h LYS 179 Cb 0.36 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 3hgz h LYS 179 CO 0.00 -0.24 0.62 -0.44 -2.27 0.00 0.00 179.45 177.12 3hgz h ASP 180 N -0.38 0.48 0.00 4.20 3.32 -1.45 -2.52 116.42 120.07 3hgz h ASP 180 Ca 0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hgz h ASP 180 Cb 0.41 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hgz h ASP 180 CO -0.13 0.17 -0.08 0.03 -1.72 0.00 0.00 179.24 177.51 3hgz h ARG 181 N 0.46 0.00 0.00 3.56 3.08 -1.10 -3.37 114.38 117.01 3hgz h ARG 181 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 3hgz h ARG 181 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3hgz h ARG 181 CO -0.23 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.76 3hgz n GLU 182 N -4.48 0.02 0.22 0.04 4.07 0.27 -0.98 120.64 119.79 3hgz n GLU 182 Ca -0.01 0.51 0.08 0.00 -0.06 0.00 0.00 57.16 57.69 3hgz n GLU 182 Cb 0.04 -1.57 0.49 0.00 -0.06 0.00 0.00 31.44 30.35 3hgz n GLU 182 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 3hgz h VAL 183 N 0.00 0.78 -0.14 6.31 3.04 -1.60 -2.85 116.25 121.78 3hgz h VAL 183 Ca 0.00 -1.07 -0.17 0.00 -1.01 0.00 0.00 66.70 64.45 3hgz h VAL 183 Cb 0.01 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 3hgz h VAL 183 CO 0.00 0.25 -0.61 0.78 -1.01 0.00 0.00 177.57 176.99 3hgz h ASN 184 N 0.00 0.55 -0.84 3.17 4.21 -1.28 -1.74 115.58 119.65 3hgz h ASN 184 Ca -0.00 -0.31 0.04 0.00 1.21 0.00 0.00 56.30 57.23 3hgz h ASN 184 Cb 0.64 -0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 37.63 3hgz h ASN 184 CO 0.03 1.03 0.54 0.00 -1.29 0.00 0.00 177.43 177.74 3hgz h ALA 185 N 0.98 1.11 -0.26 -0.83 0.00 -1.64 0.80 119.26 119.42 3hgz h ALA 185 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3hgz h ALA 185 Cb 1.16 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hgz h ALA 185 CO 0.11 0.36 -0.32 0.28 0.00 0.00 0.00 179.25 179.68 3hgz h VAL 186 N 1.04 1.31 -0.27 0.00 2.07 -1.46 0.83 116.25 119.77 3hgz h VAL 186 Ca 0.34 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 3hgz h VAL 186 Cb 0.02 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3hgz h VAL 186 CO -0.12 0.48 0.16 -0.78 0.02 0.00 0.00 177.57 177.32 3hgz h ASP 187 N 0.41 0.33 -0.48 0.57 3.58 -1.01 0.08 116.42 119.91 3hgz h ASP 187 Ca 0.04 -0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.48 3hgz h ASP 187 Cb 0.90 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.81 3hgz h ASP 187 CO 0.08 0.30 0.19 -1.28 -2.88 0.00 0.00 179.24 175.65 3hgz h SER 188 N 0.34 0.23 -0.51 2.28 0.87 -0.82 0.25 113.55 116.19 3hgz h SER 188 Ca 0.10 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.79 3hgz h SER 188 Cb 0.03 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 61.94 3hgz h SER 188 CO -0.02 0.17 0.11 -0.08 -0.53 0.00 0.00 176.83 176.48 3hgz h GLU 189 N 0.38 0.25 -0.38 2.24 4.81 -0.01 -1.47 114.58 120.41 3hgz h GLU 189 Ca 0.22 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3hgz h GLU 189 Cb 0.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hgz h GLU 189 CO -0.20 0.16 -0.02 1.25 -0.73 0.00 0.00 179.01 179.47 3hgz h HIS 190 N 0.26 0.75 -0.08 0.92 2.76 -0.36 -3.13 115.15 116.26 3hgz h HIS 190 Ca 0.26 -0.14 0.04 0.00 -2.20 0.00 0.00 60.37 58.33 3hgz h HIS 190 Cb 0.34 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.05 3hgz h HIS 190 CO -0.22 0.79 -0.37 1.49 -1.30 0.00 0.00 177.93 178.32 3hgz h GLU 191 N 0.50 -0.45 -1.36 5.26 4.57 0.04 0.15 114.58 123.29 3hgz h GLU 191 Ca 0.10 0.03 0.40 0.00 -1.18 0.00 0.00 59.36 58.72 3hgz h GLU 191 Cb 0.51 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 29.11 3hgz h GLU 191 CO 0.02 -0.30 0.93 -0.22 -1.18 0.00 0.00 179.01 178.27 3hgz h LYS 192 N -0.47 0.10 0.00 1.92 3.64 -1.29 -1.79 116.57 118.68 3hgz h LYS 192 Ca 0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hgz h LYS 192 Cb 0.59 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3hgz h LYS 192 CO -0.35 0.06 -1.03 0.09 -2.27 0.00 0.00 179.45 175.96 3hgz n ASN 193 N -4.36 0.76 -0.17 4.20 3.02 0.41 -4.38 115.26 114.74 3hgz n ASN 193 Ca 0.33 0.25 -0.04 0.00 -0.03 0.00 0.00 54.58 55.08 3hgz n ASN 193 Cb 1.39 0.55 0.05 0.00 -0.61 0.00 0.00 39.78 41.16 3hgz n ASN 193 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hgz h VAL 194 N 0.00 0.96 -0.37 2.41 2.07 -0.28 -1.31 116.25 119.72 3hgz h VAL 194 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3hgz h VAL 194 Cb 0.95 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3hgz h VAL 194 CO 0.00 0.09 0.00 0.23 0.02 0.00 0.00 177.57 177.91 3hgz n MET 195 N -4.87 2.00 -3.46 1.57 2.81 -1.26 -4.77 117.12 109.14 3hgz n MET 195 Ca 0.05 -1.39 -0.37 0.00 -1.81 0.00 0.00 57.70 54.17 3hgz n MET 195 Cb 0.14 -1.36 -0.07 0.00 -0.71 0.00 0.00 33.22 31.22 3hgz n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3hgz s ASN 196 N -0.94 6.46 0.32 7.83 2.47 -0.50 -4.88 114.94 125.71 3hgz s ASN 196 Ca 0.26 0.54 0.04 0.00 0.42 0.00 0.00 52.86 54.12 3hgz s ASN 196 Cb 0.14 -2.21 0.56 0.00 -1.45 0.00 0.00 41.25 38.29 3hgz s ASN 196 CO 0.16 0.03 1.84 0.44 -3.72 0.00 0.00 177.10 175.86 3hgz h ASP 197 N 6.92 0.49 -0.39 -4.21 5.19 -1.89 -2.26 116.42 120.26 3hgz h ASP 197 Ca -0.39 -0.11 -0.13 0.00 -0.62 0.00 0.00 57.03 55.78 3hgz h ASP 197 Cb 1.17 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 3hgz h ASP 197 CO 0.74 0.60 -0.24 0.00 -3.12 0.00 0.00 179.24 177.22 3hgz h ALA 198 N 1.46 0.56 -0.05 3.45 0.00 -1.94 -1.64 119.26 121.09 3hgz h ALA 198 Ca 0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3hgz h ALA 198 Cb 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hgz h ALA 198 CO 0.02 0.55 0.01 -1.49 0.00 0.00 0.00 179.25 178.35 3hgz h TRP 199 N 0.67 0.09 -0.51 0.00 4.06 -1.80 0.20 115.95 118.66 3hgz h TRP 199 Ca 0.08 -0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.12 3hgz h TRP 199 Cb 0.81 -0.03 -0.10 0.00 -1.00 0.00 0.00 29.16 28.85 3hgz h TRP 199 CO 0.06 0.28 -0.18 0.00 -3.56 0.00 0.00 178.44 175.04 3hgz h ARG 200 N -0.13 -0.06 -0.22 0.49 3.08 -1.43 0.16 114.38 116.28 3hgz h ARG 200 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3hgz h ARG 200 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3hgz h ARG 200 CO 0.00 -0.04 0.11 -0.07 -1.07 0.00 0.00 179.97 178.90 3hgz h LEU 201 N -0.06 0.29 -0.59 3.04 4.07 -1.14 0.90 115.31 121.82 3hgz h LEU 201 Ca 0.24 -0.12 0.12 0.00 0.08 0.00 0.00 57.88 58.20 3hgz h LEU 201 Cb 0.44 -0.07 -0.09 0.00 1.08 0.00 0.00 40.66 42.01 3hgz h LEU 201 CO -0.56 0.33 0.04 0.15 -1.08 0.00 0.00 178.44 177.32 3hgz h PHE 202 N 0.23 0.03 0.00 1.13 3.04 0.11 -1.63 116.94 119.85 3hgz h PHE 202 Ca 0.08 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.92 3hgz h PHE 202 Cb 0.12 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 3hgz h PHE 202 CO -0.02 -0.12 -0.72 0.37 -2.02 0.00 0.00 178.31 175.80 3hgz h GLN 203 N 0.15 0.00 -0.38 1.11 5.75 -0.48 -3.22 115.11 118.05 3hgz h GLN 203 Ca 0.31 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.69 3hgz h GLN 203 Cb 0.48 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 3hgz h GLN 203 CO -0.47 0.72 -0.25 1.25 -2.65 0.00 0.00 178.83 177.43 3hgz h LEU 204 N 0.00 0.79 -0.08 -2.39 5.85 -0.10 -0.55 115.31 118.84 3hgz h LEU 204 Ca -0.01 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.44 3hgz h LEU 204 Cb 1.50 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3hgz h LEU 204 CO 0.09 1.01 -0.05 -0.08 -0.34 0.00 0.00 178.44 179.08 3hgz h GLU 205 N 0.67 -0.04 -0.82 1.25 4.81 -1.39 -2.15 114.58 116.90 3hgz h GLU 205 Ca 0.09 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.44 3hgz h GLU 205 Cb 0.77 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.08 3hgz h GLU 205 CO 0.06 -0.03 0.44 0.87 -0.73 0.00 0.00 179.01 179.62 3hgz h LYS 206 N -0.05 0.67 0.00 1.92 1.57 -1.50 -2.08 116.57 117.11 3hgz h LYS 206 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hgz h LYS 206 Cb 0.12 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3hgz h LYS 206 CO -0.11 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 3hgz n ALA 207 N -2.40 2.09 0.01 3.86 0.00 -0.24 -3.35 120.51 120.48 3hgz n ALA 207 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.53 3hgz n ALA 207 Cb 0.35 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.51 3hgz n ALA 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hgz n THR 208 N -1.37 0.69 -2.04 0.00 -2.24 -0.79 -4.93 114.28 103.59 3hgz n THR 208 Ca 0.08 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 3hgz n THR 208 Cb 0.21 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 3hgz n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hgz n GLY 209 N 0.24 1.08 3.65 3.38 0.00 -1.16 -4.93 105.19 107.45 3hgz n GLY 209 Ca 0.07 -1.97 -0.46 0.00 0.00 0.00 0.00 46.02 43.66 3hgz n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hgz n ASN 210 N -1.87 3.59 0.11 1.61 2.85 0.18 -4.86 115.26 116.88 3hgz n ASN 210 Ca 0.00 0.81 0.11 0.00 -0.11 0.00 0.00 54.58 55.39 3hgz n ASN 210 Cb 0.00 -1.44 0.47 0.00 1.24 0.00 0.00 39.78 40.05 3hgz n ASN 210 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3hgz n PRO 211 N 7.34 0.16 0.09 1.20 -0.04 -1.26 -2.23 135.00 140.27 3hgz n PRO 211 Ca 0.24 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.25 3hgz n PRO 211 Cb 0.35 -1.83 0.13 0.00 -0.04 0.00 0.00 33.50 32.11 3hgz n PRO 211 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3hgz h LYS 212 N 0.00 0.00 -6.64 0.54 1.57 -1.98 -3.47 116.57 106.60 3hgz h LYS 212 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3hgz h LYS 212 Cb 0.30 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.63 3hgz h LYS 212 CO 0.00 0.00 0.56 -1.58 -0.57 0.00 0.00 179.45 177.86 3hgz s HIS 213 N -3.23 3.43 -1.26 -1.35 2.46 -0.95 -4.91 115.29 109.48 3hgz s HIS 213 Ca 0.04 1.40 0.00 0.00 0.47 0.00 0.00 55.06 56.97 3hgz s HIS 213 Cb 0.11 -3.43 0.00 0.00 -0.13 0.00 0.00 32.58 29.13 3hgz s HIS 213 CO 0.73 -1.23 0.63 -0.35 -2.47 0.00 0.00 174.74 172.06 3hgz n PRO 214 N 2.73 0.00 0.14 2.88 -0.04 -1.26 -1.64 135.00 137.81 3hgz n PRO 214 Ca 0.05 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3hgz n PRO 214 Cb 0.45 -1.54 0.18 0.00 -0.04 0.00 0.00 33.50 32.55 3hgz n PRO 214 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3hgz h PHE 215 N 0.00 0.00 0.00 0.54 3.04 -1.91 -2.98 116.94 115.64 3hgz h PHE 215 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3hgz h PHE 215 Cb 0.08 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.59 3hgz h PHE 215 CO 0.00 0.58 0.00 0.66 -2.02 0.00 0.00 178.31 177.53 3hgz h SER 216 N 0.00 0.00 -2.81 0.41 4.64 -1.49 -3.45 113.55 110.86 3hgz h SER 216 Ca -0.01 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.72 3hgz h SER 216 Cb 1.13 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.33 3hgz h SER 216 CO 0.08 0.00 0.20 0.29 -0.87 0.00 0.00 176.83 176.53 3hgz n LYS 217 N -2.73 1.49 -2.63 4.77 5.02 -1.13 -4.71 118.16 118.24 3hgz n LYS 217 Ca 0.02 0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 56.41 3hgz n LYS 217 Cb 0.29 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 3hgz n LYS 217 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3hgz s PHE 218 N -1.14 2.62 0.14 2.13 5.36 -1.26 -4.93 117.98 120.90 3hgz s PHE 218 Ca 0.59 0.29 0.13 0.00 -0.96 0.00 0.00 56.93 56.99 3hgz s PHE 218 Cb -0.63 -4.43 0.31 0.00 -0.34 0.00 0.00 43.02 37.93 3hgz s PHE 218 CO 0.60 -1.57 1.56 0.78 -1.46 0.00 0.00 175.22 175.12 3hgz h GLY 219 N 11.80 0.00 0.70 13.12 0.00 -1.91 -3.24 103.07 123.54 3hgz h GLY 219 Ca -0.25 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3hgz h GLY 219 CO 1.17 0.00 -0.67 -0.84 0.00 0.00 0.00 176.54 176.20 3hgz h THR 220 N 0.00 1.49 -1.03 4.70 2.02 -1.91 -3.38 112.91 114.79 3hgz h THR 220 Ca -0.01 -2.31 0.12 0.00 0.77 0.00 0.00 66.41 64.99 3hgz h THR 220 Cb 1.20 2.94 -0.04 0.00 -1.74 0.00 0.00 68.15 70.51 3hgz h THR 220 CO 0.08 0.66 -0.21 0.61 0.37 0.00 0.00 175.52 177.03 3hgz n GLY 221 N 1.38 -1.71 3.90 2.16 0.00 -1.26 -4.63 105.19 105.04 3hgz n GLY 221 Ca -0.12 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3hgz n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hgz s ASN 222 N -4.36 -0.01 0.34 1.61 2.20 -1.26 -4.68 114.94 108.77 3hgz s ASN 222 Ca 0.00 -0.35 0.13 0.00 -0.94 0.00 0.00 52.86 51.70 3hgz s ASN 222 Cb 0.00 0.27 1.04 0.00 -2.00 0.00 0.00 41.25 40.56 3hgz s ASN 222 CO 0.00 -0.53 1.68 0.50 -2.94 0.00 0.00 177.10 175.80 3hgz h LYS 223 N 2.00 0.37 0.21 3.55 1.63 -1.90 -0.02 116.57 122.41 3hgz h LYS 223 Ca -0.25 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 3hgz h LYS 223 Cb 1.20 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 3hgz h LYS 223 CO 0.32 0.24 -0.10 -0.92 -3.45 0.00 0.00 179.45 175.55 3hgz h TYR 224 N 0.38 -0.26 0.00 1.91 3.20 -1.96 -0.73 116.97 119.51 3hgz h TYR 224 Ca 0.71 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.53 3hgz h TYR 224 Cb 1.57 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 3hgz h TYR 224 CO -0.01 0.12 -0.25 1.79 -1.64 0.00 0.00 178.16 178.18 3hgz h THR 225 N -0.75 0.62 0.00 1.81 1.35 -1.65 0.31 112.91 114.60 3hgz h THR 225 Ca -0.03 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3hgz h THR 225 Cb 0.50 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3hgz h THR 225 CO 0.05 0.24 -0.99 0.18 -0.25 0.00 0.00 175.52 174.75 3hgz n LEU 226 N -3.44 0.57 0.03 3.87 4.32 -0.10 -4.36 117.00 117.89 3hgz n LEU 226 Ca -0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.61 3hgz n LEU 226 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 3hgz n LEU 226 CO 0.34 0.14 0.00 1.21 -1.22 0.00 0.00 177.39 177.86 3hgz n GLU 227 N -1.54 0.00 0.15 3.23 2.13 -0.40 -4.87 120.64 119.34 3hgz n GLU 227 Ca 0.02 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.77 3hgz n GLU 227 Cb 0.29 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.97 3hgz n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3hgz h THR 228 N 0.00 0.00 -0.63 6.31 2.02 -0.87 -1.49 112.91 118.25 3hgz h THR 228 Ca 0.00 -0.35 0.11 0.00 0.77 0.00 0.00 66.41 66.94 3hgz h THR 228 Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.33 3hgz h THR 228 CO 0.00 0.00 0.19 -0.09 0.37 0.00 0.00 175.52 175.99 3hgz h ARG 229 N -0.77 0.33 -0.99 6.66 2.43 -0.65 -2.06 114.38 119.33 3hgz h ARG 229 Ca -0.04 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3hgz h ARG 229 Cb 0.32 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3hgz h ARG 229 CO 0.07 0.22 0.64 -1.35 -1.51 0.00 0.00 179.97 178.03 3hgz h PRO 230 N 0.34 1.14 -0.37 0.20 0.11 -1.73 -1.52 132.00 130.17 3hgz h PRO 230 Ca 0.33 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.24 3hgz h PRO 230 Cb 0.47 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3hgz h PRO 230 CO -0.37 0.76 -0.28 -0.91 -0.21 0.00 0.00 178.00 176.99 3hgz h ASN 231 N 1.18 0.80 -0.42 -2.05 -0.26 -0.60 0.21 115.58 114.44 3hgz h ASN 231 Ca 0.42 -0.31 -0.06 0.00 -0.56 0.00 0.00 56.30 55.78 3hgz h ASN 231 Cb 0.12 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 3hgz h ASN 231 CO -0.16 1.04 0.07 -0.61 -1.06 0.00 0.00 177.43 176.71 3hgz h GLN 232 N 0.67 0.76 -0.23 0.81 4.15 -1.02 -2.43 115.11 117.82 3hgz h GLN 232 Ca 0.08 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3hgz h GLN 232 Cb 0.81 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.39 3hgz h GLN 232 CO 0.07 0.73 0.00 0.39 -1.93 0.00 0.00 178.83 178.08 3hgz n GLU 233 N -4.26 1.81 -1.76 1.69 1.02 -0.61 -4.93 120.64 113.60 3hgz n GLU 233 Ca 0.03 -1.23 -0.14 0.00 -0.02 0.00 0.00 57.16 55.80 3hgz n GLU 233 Cb 0.25 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 3hgz n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgz n GLY 234 N 1.14 0.78 3.77 0.62 0.00 -0.62 -4.99 105.19 105.90 3hgz n GLY 234 Ca 0.15 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3hgz n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hgz s ILE 235 N -2.60 4.45 -0.42 -0.61 1.01 0.65 -5.01 121.20 118.67 3hgz s ILE 235 Ca 0.00 1.66 -0.17 0.00 0.00 0.00 0.00 60.65 62.14 3hgz s ILE 235 Cb 0.00 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.37 3hgz s ILE 235 CO 0.00 0.50 0.40 -0.62 0.00 0.00 0.00 174.94 175.22 3hgz s ASP 236 N -0.97 6.17 0.11 3.58 -1.08 -1.26 -4.42 116.67 118.80 3hgz s ASP 236 Ca 0.36 -0.74 -0.11 0.00 -0.52 0.00 0.00 52.55 51.53 3hgz s ASP 236 Cb -0.22 -2.20 -0.12 0.00 -1.46 0.00 0.00 42.92 38.91 3hgz s ASP 236 CO 0.25 -0.54 1.33 0.58 0.52 0.00 0.00 175.17 177.31 3hgz h VAL 237 N 5.70 1.29 -1.01 1.11 2.07 -1.94 -1.78 116.25 121.68 3hgz h VAL 237 Ca -0.27 -1.97 0.15 0.00 0.82 0.00 0.00 66.70 65.44 3hgz h VAL 237 Cb 1.11 1.96 -0.09 0.00 -1.52 0.00 0.00 31.29 32.75 3hgz h VAL 237 CO 0.78 0.62 0.62 -0.09 0.02 0.00 0.00 177.57 179.52 3hgz h ARG 238 N 0.53 0.87 -0.34 1.57 2.43 -1.94 0.26 114.38 117.76 3hgz h ARG 238 Ca -0.04 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 3hgz h ARG 238 Cb 1.38 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3hgz h ARG 238 CO 0.15 0.57 -0.30 0.37 -1.51 0.00 0.00 179.97 179.26 3hgz h GLN 239 N 0.89 0.80 -0.62 0.20 4.15 -1.85 -0.66 115.11 118.02 3hgz h GLN 239 Ca 0.53 -0.41 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 3hgz h GLN 239 Cb 0.67 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 3hgz h GLN 239 CO -0.32 1.04 0.38 0.93 -1.93 0.00 0.00 178.83 178.93 3hgz h GLU 240 N 0.58 0.84 -0.54 1.69 4.39 -0.48 0.31 114.58 121.38 3hgz h GLU 240 Ca 0.06 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.73 3hgz h GLU 240 Cb 0.87 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.30 3hgz h GLU 240 CO 0.08 0.60 0.27 -0.07 -1.16 0.00 0.00 179.01 178.73 3hgz h LEU 241 N 0.84 0.38 -0.33 1.33 3.38 -0.23 -0.75 115.31 119.93 3hgz h LEU 241 Ca 0.22 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3hgz h LEU 241 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hgz h LEU 241 CO -0.04 0.26 -0.11 -0.07 0.09 0.00 0.00 178.44 178.57 3hgz h LEU 242 N 0.52 0.67 -0.83 1.67 3.38 -0.51 -0.69 115.31 119.52 3hgz h LEU 242 Ca 0.24 -0.38 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3hgz h LEU 242 Cb 0.16 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3hgz h LEU 242 CO -0.18 0.89 0.47 0.11 0.09 0.00 0.00 178.44 179.83 3hgz h LYS 243 N 0.44 0.75 -0.06 1.13 1.57 -0.19 0.39 116.57 120.60 3hgz h LYS 243 Ca 0.08 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3hgz h LYS 243 Cb 0.61 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hgz h LYS 243 CO 0.04 0.50 -0.11 0.35 -0.57 0.00 0.00 179.45 179.66 3hgz h PHE 244 N 0.78 0.22 -0.16 -1.35 3.57 -0.87 0.43 116.94 119.56 3hgz h PHE 244 Ca 0.40 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.85 3hgz h PHE 244 Cb 0.39 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3hgz h PHE 244 CO -0.06 0.69 0.02 1.25 -2.23 0.00 0.00 178.31 177.97 3hgz h HIS 245 N -0.32 0.02 -0.77 0.41 2.76 -0.88 -0.95 115.15 115.43 3hgz h HIS 245 Ca 0.00 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 3hgz h HIS 245 Cb 0.67 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.61 3hgz h HIS 245 CO 0.11 -0.00 0.38 1.03 -1.30 0.00 0.00 177.93 178.15 3hgz h SER 246 N 0.07 0.98 0.76 3.26 0.87 -0.77 0.85 113.55 119.58 3hgz h SER 246 Ca 0.07 -0.10 -0.16 0.00 -1.23 0.00 0.00 61.79 60.37 3hgz h SER 246 Cb 0.08 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3hgz h SER 246 CO -0.11 0.81 -0.77 0.00 -0.53 0.00 0.00 176.83 176.24 3hgz h ALA 247 N 1.34 0.73 0.00 6.23 0.00 0.25 -3.41 119.26 124.40 3hgz h ALA 247 Ca 0.27 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hgz h ALA 247 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hgz h ALA 247 CO -0.04 0.96 -0.71 0.66 0.00 0.00 0.00 179.25 180.12 3hgz n TYR 248 N -3.63 0.00 -1.65 0.00 4.02 -0.39 -4.76 117.16 110.75 3hgz n TYR 248 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.48 3hgz n TYR 248 Cb 0.74 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.05 3hgz n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hgz n TYR 249 N -1.35 2.77 -4.00 -0.72 0.53 0.28 -4.89 117.16 109.78 3hgz n TYR 249 Ca 0.00 -2.99 -0.33 0.00 -1.02 0.00 0.00 57.90 53.56 3hgz n TYR 249 Cb 0.21 -2.33 -0.06 0.00 -1.03 0.00 0.00 39.34 36.13 3hgz n TYR 249 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3hgz s SER 250 N 1.93 6.04 0.58 7.72 0.15 -1.26 -4.91 113.70 123.95 3hgz s SER 250 Ca 0.58 0.25 0.28 0.00 0.70 0.00 0.00 55.95 57.76 3hgz s SER 250 Cb 0.16 -1.82 1.60 0.00 -1.71 0.00 0.00 66.02 64.25 3hgz s SER 250 CO -0.07 0.26 2.06 0.77 1.20 0.00 0.00 173.24 177.47 3hgz h SER 251 N 3.93 0.00 1.03 5.45 4.64 -1.56 0.25 113.55 127.28 3hgz h SER 251 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3hgz h SER 251 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3hgz h SER 251 CO 0.66 0.00 0.00 -0.55 -0.87 0.00 0.00 176.83 176.07 3hgz h ASN 252 N 0.00 0.00 -0.62 4.97 -1.07 -1.83 -2.87 115.58 114.17 3hgz h ASN 252 Ca 0.12 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.35 3hgz h ASN 252 Cb 0.63 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.80 3hgz h ASN 252 CO -0.00 0.00 0.16 0.18 0.07 0.00 0.00 177.43 177.84 3hgz n LEU 253 N -2.86 5.61 -4.15 6.14 4.77 0.07 -4.84 117.00 121.73 3hgz n LEU 253 Ca 0.01 -3.18 -0.26 0.00 -0.03 0.00 0.00 56.01 52.56 3hgz n LEU 253 Cb 0.30 -0.70 -0.16 0.00 -2.33 0.00 0.00 43.42 40.54 3hgz n LEU 253 CO 0.26 0.78 -0.51 -0.04 -1.33 0.00 0.00 177.39 176.56 3hgz s MET 254 N -2.95 1.66 0.06 3.23 -1.94 -1.10 -0.29 119.30 117.97 3hgz s MET 254 Ca 0.53 -0.63 0.07 0.00 -1.71 0.00 0.00 55.69 53.95 3hgz s MET 254 Cb 0.42 -1.50 -0.03 0.00 2.01 0.00 0.00 34.83 35.72 3hgz s MET 254 CO 0.12 0.31 -0.17 0.00 -0.01 0.00 0.00 175.02 175.27 3hgz s ALA 255 N -0.16 2.64 -0.02 3.03 0.00 -0.45 -2.04 121.76 124.77 3hgz s ALA 255 Ca 0.01 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.77 3hgz s ALA 255 Cb -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3hgz s ALA 255 CO 0.01 0.58 -0.10 0.08 0.00 0.00 0.00 175.76 176.33 3hgz s VAL 256 N -0.98 0.83 -0.08 0.00 1.01 0.18 -0.88 120.40 120.48 3hgz s VAL 256 Ca 0.16 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3hgz s VAL 256 Cb -0.11 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.56 3hgz s VAL 256 CO 0.07 0.25 -0.15 -0.69 0.00 0.00 0.00 175.10 174.58 3hgz s VAL 257 N 0.09 1.35 -0.05 2.92 1.01 -0.08 -1.53 120.40 124.11 3hgz s VAL 257 Ca -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3hgz s VAL 257 Cb -0.08 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3hgz s VAL 257 CO 0.00 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.67 3hgz s VAL 258 N 0.65 1.26 -0.07 2.92 1.01 -0.75 -1.55 120.40 123.87 3hgz s VAL 258 Ca -0.14 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3hgz s VAL 258 Cb -0.16 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.12 3hgz s VAL 258 CO 0.04 0.38 -0.10 -0.22 0.00 0.00 0.00 175.10 175.20 3hgz s LEU 259 N 0.30 1.48 0.00 3.92 0.20 -0.33 -0.07 118.68 124.19 3hgz s LEU 259 Ca -0.08 -0.27 -0.07 0.00 0.69 0.00 0.00 54.13 54.39 3hgz s LEU 259 Cb -0.13 -0.77 0.03 0.00 -0.43 0.00 0.00 46.19 44.89 3hgz s LEU 259 CO 0.03 -0.02 0.39 0.61 -0.29 0.00 0.00 176.35 177.07 3hgz n GLY 260 N 4.12 1.55 0.08 7.98 0.00 -0.59 -1.57 105.19 116.76 3hgz n GLY 260 Ca -0.21 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 3hgz n GLY 260 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hgz h ARG 261 N 0.00 0.06 -6.28 1.61 3.08 -1.86 0.17 114.38 111.16 3hgz h ARG 261 Ca -0.17 -0.11 -0.65 0.00 0.07 0.00 0.00 59.98 59.12 3hgz h ARG 261 Cb 0.63 0.04 0.09 0.00 0.08 0.00 0.00 29.97 30.81 3hgz h ARG 261 CO 0.21 0.94 0.08 0.39 -1.07 0.00 0.00 179.97 180.53 3hgz n GLU 262 N -3.33 0.91 -0.81 0.04 4.71 -1.26 -4.29 120.64 116.61 3hgz n GLU 262 Ca -0.06 0.32 -0.33 0.00 -0.01 0.00 0.00 57.16 57.08 3hgz n GLU 262 Cb 0.98 -1.70 0.12 0.00 -1.01 0.00 0.00 31.44 29.83 3hgz n GLU 262 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3hgz n SER 263 N 1.78 -2.57 -0.07 1.62 3.41 -1.26 -4.54 113.62 112.00 3hgz n SER 263 Ca 0.15 0.25 -0.07 0.00 -0.26 0.00 0.00 58.87 58.94 3hgz n SER 263 Cb 0.25 -1.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.08 3hgz n SER 263 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hgz h LEU 264 N -1.56 -0.57 -0.83 1.04 3.38 -1.95 -0.36 115.31 114.46 3hgz h LEU 264 Ca -0.45 0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.73 3hgz h LEU 264 Cb 1.29 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 42.28 3hgz h LEU 264 CO 0.33 -0.21 0.49 0.44 0.09 0.00 0.00 178.44 179.59 3hgz h ASP 265 N -0.14 0.74 0.62 -0.43 3.32 -1.99 0.12 116.42 118.66 3hgz h ASP 265 Ca 0.15 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3hgz h ASP 265 Cb 0.38 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3hgz h ASP 265 CO -0.38 0.45 -0.35 0.44 -1.72 0.00 0.00 179.24 177.68 3hgz h ASP 266 N 0.86 -0.87 -0.41 6.45 3.32 -1.75 -2.44 116.42 121.58 3hgz h ASP 266 Ca 0.38 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.56 3hgz h ASP 266 Cb 0.27 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3hgz h ASP 266 CO -0.21 -0.57 0.28 -0.07 -1.72 0.00 0.00 179.24 176.95 3hgz h LEU 267 N -0.91 0.15 -0.15 1.55 3.38 -0.66 -0.32 115.31 118.35 3hgz h LEU 267 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hgz h LEU 267 Cb 0.73 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3hgz h LEU 267 CO 0.10 0.10 0.06 0.74 0.09 0.00 0.00 178.44 179.52 3hgz h THR 268 N 0.17 1.16 -0.72 0.22 2.02 -0.55 -1.56 112.91 113.65 3hgz h THR 268 Ca 0.19 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 3hgz h THR 268 Cb 0.52 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3hgz h THR 268 CO -0.03 0.15 0.43 0.78 0.37 0.00 0.00 175.52 177.22 3hgz h ASN 269 N 0.09 0.87 -0.03 4.18 2.35 -0.62 -1.53 115.58 120.89 3hgz h ASN 269 Ca 0.05 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3hgz h ASN 269 Cb 0.18 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3hgz h ASN 269 CO -0.00 0.68 -0.13 0.25 -1.65 0.00 0.00 177.43 176.58 3hgz h LEU 270 N 0.98 -0.37 0.20 1.61 6.46 -1.13 0.40 115.31 123.47 3hgz h LEU 270 Ca 0.26 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 3hgz h LEU 270 Cb -0.03 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 3hgz h LEU 270 CO -0.05 -0.17 -0.11 0.58 -0.62 0.00 0.00 178.44 178.07 3hgz h VAL 271 N -0.20 0.78 -0.35 1.05 2.07 -1.00 -1.71 116.25 116.89 3hgz h VAL 271 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 3hgz h VAL 271 Cb 0.27 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3hgz h VAL 271 CO -0.14 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.00 3hgz h VAL 272 N -0.29 0.71 -0.65 2.57 2.07 -1.14 0.19 116.25 119.72 3hgz h VAL 272 Ca -0.03 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.60 3hgz h VAL 272 Cb 0.23 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 3hgz h VAL 272 CO 0.04 0.01 0.10 0.50 0.02 0.00 0.00 177.57 178.24 3hgz h LYS 273 N 0.07 0.20 0.00 1.57 3.64 0.13 -3.06 116.57 119.12 3hgz h LYS 273 Ca 0.17 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3hgz h LYS 273 Cb 0.24 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3hgz h LYS 273 CO -0.31 0.14 -1.62 1.28 -2.27 0.00 0.00 179.45 176.67 3hgz n LEU 274 N -5.19 0.44 -0.03 5.20 4.77 -0.67 -4.68 117.00 116.84 3hgz n LEU 274 Ca 0.11 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 3hgz n LEU 274 Cb 0.38 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3hgz n LEU 274 CO 0.13 0.03 -0.69 0.49 -1.33 0.00 0.00 177.39 176.02 3hgz n PHE 275 N -2.57 0.00 0.20 -1.77 3.01 0.58 -4.59 117.46 112.31 3hgz n PHE 275 Ca -0.07 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.52 3hgz n PHE 275 Cb 0.68 -0.29 0.72 0.00 -0.01 0.00 0.00 39.48 40.58 3hgz n PHE 275 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3hgz h SER 276 N 0.00 0.00 0.34 4.37 4.64 -1.70 0.11 113.55 121.31 3hgz h SER 276 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3hgz h SER 276 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hgz h SER 276 CO 0.01 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.13 3hgz n GLU 277 N -2.42 0.09 -2.34 4.77 0.28 -1.26 -4.78 120.64 114.97 3hgz n GLU 277 Ca -0.02 0.22 -0.43 0.00 -0.16 0.00 0.00 57.16 56.78 3hgz n GLU 277 Cb 0.04 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.39 3hgz n GLU 277 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3hgz s VAL 278 N -2.79 4.04 0.23 3.84 1.01 0.37 -4.96 120.40 122.15 3hgz s VAL 278 Ca 0.09 1.18 -0.31 0.00 0.00 0.00 0.00 61.98 62.94 3hgz s VAL 278 Cb 0.09 -4.03 -0.14 0.00 0.00 0.00 0.00 36.38 32.29 3hgz s VAL 278 CO 0.22 -0.41 1.22 1.21 0.00 0.00 0.00 175.10 177.34 3hgz n GLU 279 N 7.35 1.56 -3.46 2.72 2.13 -1.26 -4.55 120.64 125.13 3hgz n GLU 279 Ca 0.16 0.55 -0.43 0.00 0.66 0.00 0.00 57.16 58.10 3hgz n GLU 279 Cb 0.46 -2.08 -0.06 0.00 0.27 0.00 0.00 31.44 30.03 3hgz n GLU 279 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3hgz s ASN 280 N -0.05 6.02 0.00 4.31 2.47 -1.26 -1.68 114.94 124.75 3hgz s ASN 280 Ca 0.67 -2.23 0.22 0.00 0.42 0.00 0.00 52.86 51.94 3hgz s ASN 280 Cb -0.73 -2.08 1.16 0.00 -1.45 0.00 0.00 41.25 38.14 3hgz s ASN 280 CO 0.54 -0.65 1.69 0.29 -3.72 0.00 0.00 177.10 175.24 3hgz n LYS 281 N 4.53 0.43 -3.53 0.43 4.01 -1.26 -4.92 118.16 117.86 3hgz n LYS 281 Ca -0.01 0.06 -0.25 0.00 -0.51 0.00 0.00 58.31 57.59 3hgz n LYS 281 Cb 0.42 -1.50 0.05 0.00 -0.51 0.00 0.00 35.03 33.49 3hgz n LYS 281 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3hgz n ASN 282 N -1.20 -5.64 -4.73 4.39 2.85 -1.26 -4.93 115.26 104.75 3hgz n ASN 282 Ca 0.12 -0.90 -0.39 0.00 -0.11 0.00 0.00 54.58 53.30 3hgz n ASN 282 Cb 0.14 -4.06 -0.05 0.00 1.24 0.00 0.00 39.78 37.05 3hgz n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3hgz s VAL 283 N -3.45 4.98 0.20 3.44 1.01 -1.26 -5.04 120.40 120.29 3hgz s VAL 283 Ca 0.45 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 3hgz s VAL 283 Cb -0.12 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3hgz s VAL 283 CO 0.82 0.32 1.43 -2.16 0.00 0.00 0.00 175.10 175.50 3hgz s PRO 284 N 0.40 4.29 0.12 2.72 0.04 -1.26 -4.86 135.00 136.45 3hgz s PRO 284 Ca 0.35 2.22 -0.31 0.00 0.04 0.00 0.00 61.00 63.30 3hgz s PRO 284 Cb -0.18 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 3hgz s PRO 284 CO 0.18 -0.42 1.50 -1.17 0.04 0.00 0.00 177.00 177.12 3hgz s LEU 285 N 0.20 4.37 0.35 -3.56 0.20 -1.26 -4.97 118.68 114.00 3hgz s LEU 285 Ca 0.62 2.45 -0.29 0.00 0.69 0.00 0.00 54.13 57.60 3hgz s LEU 285 Cb -0.40 -3.58 -0.11 0.00 -0.43 0.00 0.00 46.19 41.66 3hgz s LEU 285 CO 0.38 -0.76 1.53 -2.84 -0.29 0.00 0.00 176.35 174.37 3hgz s PRO 286 N 1.38 4.11 0.13 0.98 0.02 -1.26 -5.03 135.00 135.33 3hgz s PRO 286 Ca 0.68 2.58 0.11 0.00 0.02 0.00 0.00 61.00 64.38 3hgz s PRO 286 Cb -0.40 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 3hgz s PRO 286 CO 0.31 -0.57 -0.25 -1.21 -0.33 0.00 0.00 177.00 174.94 3hgz s GLU 287 N -1.53 1.48 -0.45 5.54 8.01 -1.26 -4.80 118.70 125.70 3hgz s GLU 287 Ca 0.57 -1.32 0.07 0.00 0.01 0.00 0.00 54.97 54.29 3hgz s GLU 287 Cb -0.47 -1.94 0.24 0.00 -4.31 0.00 0.00 34.13 27.65 3hgz s GLU 287 CO 0.58 0.45 0.54 1.19 0.01 0.00 0.00 175.26 178.03 3hgz n PHE 288 N 0.87 0.44 0.19 1.61 3.72 0.46 -4.99 117.46 119.76 3hgz n PHE 288 Ca -0.17 -3.67 0.05 0.00 -0.05 0.00 0.00 57.45 53.61 3hgz n PHE 288 Cb 0.53 -0.33 0.37 0.00 -0.94 0.00 0.00 39.48 39.11 3hgz n PHE 288 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hgz h PRO 289 N 4.26 0.00 -6.23 -1.08 0.13 -1.80 -3.34 132.00 123.94 3hgz h PRO 289 Ca 0.12 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.69 3hgz h PRO 289 Cb 0.84 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 3hgz h PRO 289 CO 0.53 0.38 0.93 -1.21 -0.23 0.00 0.00 178.00 178.39 3hgz s GLU 290 N -3.81 4.24 0.12 0.86 0.41 -1.26 -4.82 118.70 114.44 3hgz s GLU 290 Ca -0.01 1.85 -0.31 0.00 -0.41 0.00 0.00 54.97 56.09 3hgz s GLU 290 Cb 0.12 -3.78 -0.08 0.00 -1.78 0.00 0.00 34.13 28.61 3hgz s GLU 290 CO 0.69 -0.70 1.38 -1.58 -0.49 0.00 0.00 175.26 174.56 3hgz s HIS 291 N 3.37 3.25 0.66 1.61 5.65 -1.26 -4.88 115.29 123.68 3hgz s HIS 291 Ca 0.61 0.99 0.42 0.00 0.25 0.00 0.00 55.06 57.34 3hgz s HIS 291 Cb -0.27 -3.67 2.34 0.00 -1.18 0.00 0.00 32.58 29.80 3hgz s HIS 291 CO 0.21 -2.31 2.36 -1.00 -0.65 0.00 0.00 174.74 173.35 3hgz h PRO 292 N 6.61 0.00 -4.93 2.88 0.13 -1.95 -3.33 132.00 131.41 3hgz h PRO 292 Ca -0.42 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.02 3hgz h PRO 292 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 3hgz h PRO 292 CO 0.85 0.00 -0.20 -0.06 -0.23 0.00 0.00 178.00 178.37 3hgz s PHE 293 N -4.24 3.17 0.00 1.56 0.08 -1.26 -0.64 117.98 116.65 3hgz s PHE 293 Ca -0.05 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.75 3hgz s PHE 293 Cb 0.13 -2.87 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 3hgz s PHE 293 CO 0.43 -0.64 0.00 1.04 -0.10 0.00 0.00 175.22 175.95 3hgz n GLN 294 N 5.60 1.49 -0.02 0.44 1.13 -1.25 -4.97 117.38 119.79 3hgz n GLN 294 Ca -0.07 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.84 3hgz n GLN 294 Cb 0.48 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.73 3hgz n GLN 294 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3hgz h GLU 295 N 0.00 -0.54 0.00 -1.09 4.57 -1.97 -1.72 114.58 113.83 3hgz h GLU 295 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3hgz h GLU 295 Cb 0.00 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3hgz h GLU 295 CO 0.00 -0.36 0.24 -0.85 -1.18 0.00 0.00 179.01 176.86 3hgz n GLU 296 N -5.40 0.10 -0.23 1.92 0.00 -1.26 -1.91 120.64 113.87 3hgz n GLU 296 Ca -0.06 0.58 0.10 0.00 0.00 0.00 0.00 57.16 57.79 3hgz n GLU 296 Cb 0.37 -2.07 0.22 0.00 0.00 0.00 0.00 31.44 29.97 3hgz n GLU 296 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hgz n HIS 297 N -2.09 0.60 -4.21 -1.84 8.25 -0.65 -4.96 115.22 110.32 3hgz n HIS 297 Ca -0.01 -0.35 -0.24 0.00 -0.26 0.00 0.00 57.72 56.87 3hgz n HIS 297 Cb 0.27 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 3hgz n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hgz s LEU 298 N -1.22 3.13 -1.50 2.41 1.43 -0.80 -4.52 118.68 117.61 3hgz s LEU 298 Ca 0.37 -0.87 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 3hgz s LEU 298 Cb 0.21 -1.56 0.07 0.00 0.03 0.00 0.00 46.19 44.94 3hgz s LEU 298 CO 0.28 -0.27 0.85 0.29 0.23 0.00 0.00 176.35 177.73 3hgz n LYS 299 N -1.06 -4.88 -4.36 1.70 5.02 0.65 -4.94 118.16 110.29 3hgz n LYS 299 Ca -0.04 0.55 -0.31 0.00 -2.02 0.00 0.00 58.31 56.50 3hgz n LYS 299 Cb 0.62 -5.28 -0.10 0.00 -0.02 0.00 0.00 35.03 30.24 3hgz n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hgz s GLN 300 N -6.53 2.38 -0.05 1.97 -1.52 -1.24 -0.46 119.66 114.21 3hgz s GLN 300 Ca 0.48 -0.85 0.05 0.00 -1.95 0.00 0.00 55.36 53.09 3hgz s GLN 300 Cb -0.25 -2.42 -0.01 0.00 -0.22 0.00 0.00 33.01 30.12 3hgz s GLN 300 CO 0.85 0.56 -0.22 -1.17 -0.25 0.00 0.00 175.29 175.06 3hgz s LEU 301 N -1.78 2.01 -0.08 2.90 2.96 0.10 -1.29 118.68 123.50 3hgz s LEU 301 Ca 0.19 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3hgz s LEU 301 Cb -0.11 -1.21 0.00 0.00 0.50 0.00 0.00 46.19 45.37 3hgz s LEU 301 CO 0.11 0.21 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.83 3hgz s TYR 302 N -0.11 2.25 -0.21 5.38 1.51 0.25 -1.43 117.35 124.99 3hgz s TYR 302 Ca -0.03 -0.87 -0.01 0.00 -1.01 0.00 0.00 57.07 55.15 3hgz s TYR 302 Cb -0.13 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3hgz s TYR 302 CO 0.03 -0.35 -0.11 0.15 -1.11 0.00 0.00 175.55 174.16 3hgz s LYS 303 N 0.34 3.11 -0.09 -0.62 1.02 -0.60 0.04 119.74 122.92 3hgz s LYS 303 Ca -0.16 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.08 3hgz s LYS 303 Cb -0.17 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 3hgz s LYS 303 CO 0.07 -0.25 -0.19 0.42 -0.92 0.00 0.00 175.35 174.48 3hgz s ILE 304 N 1.37 1.70 -0.28 2.17 1.09 0.08 -1.29 121.20 126.04 3hgz s ILE 304 Ca 0.04 -0.80 -0.29 0.00 -1.10 0.00 0.00 60.65 58.51 3hgz s ILE 304 Cb -0.14 -1.50 0.01 0.00 -1.06 0.00 0.00 42.46 39.77 3hgz s ILE 304 CO -0.07 0.48 1.05 -0.69 -0.10 0.00 0.00 174.94 175.60 3hgz s VAL 305 N 0.57 4.60 0.75 2.92 1.01 -0.60 -1.21 120.40 128.44 3hgz s VAL 305 Ca -0.15 1.85 -0.12 0.00 0.00 0.00 0.00 61.98 63.56 3hgz s VAL 305 Cb -0.17 -4.36 0.04 0.00 0.00 0.00 0.00 36.38 31.90 3hgz s VAL 305 CO 0.05 -0.33 1.13 -2.16 0.00 0.00 0.00 175.10 173.79 3hgz s PRO 306 N 3.41 2.46 -0.02 2.72 0.04 -1.26 -4.51 135.00 137.84 3hgz s PRO 306 Ca 0.44 0.32 -0.02 0.00 0.04 0.00 0.00 61.00 61.79 3hgz s PRO 306 Cb -0.14 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3hgz s PRO 306 CO 0.11 -1.29 0.20 0.82 0.04 0.00 0.00 177.00 176.88 3hgz h ILE 307 N -0.84 0.00 -3.39 0.56 1.08 -1.96 -3.46 117.51 109.49 3hgz h ILE 307 Ca -0.45 -0.25 -0.48 0.00 -0.39 0.00 0.00 64.86 63.29 3hgz h ILE 307 Cb 1.29 0.00 0.22 0.00 -3.07 0.00 0.00 36.82 35.25 3hgz h ILE 307 CO 0.65 0.00 -0.20 0.29 -0.69 0.00 0.00 178.15 178.19 3hgz n LYS 308 N -2.90 -1.46 -2.79 2.37 5.02 -1.26 -4.94 118.16 112.20 3hgz n LYS 308 Ca -0.01 -0.39 -0.43 0.00 -2.02 0.00 0.00 58.31 55.46 3hgz n LYS 308 Cb 0.03 -2.11 -0.02 0.00 -0.02 0.00 0.00 35.03 32.91 3hgz n LYS 308 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hgz s ASP 309 N -2.32 6.68 0.06 4.39 -1.08 -1.26 -4.83 116.67 118.30 3hgz s ASP 309 Ca 0.64 -2.05 0.04 0.00 -0.52 0.00 0.00 52.55 50.66 3hgz s ASP 309 Cb -0.22 -2.47 -0.03 0.00 -1.46 0.00 0.00 42.92 38.75 3hgz s ASP 309 CO 0.64 -1.16 -0.11 0.27 0.52 0.00 0.00 175.17 175.33 3hgz s ILE 310 N 3.34 0.80 -0.24 4.11 -4.36 -1.26 -4.82 121.20 118.77 3hgz s ILE 310 Ca 0.40 -1.19 0.02 0.00 -0.26 0.00 0.00 60.65 59.62 3hgz s ILE 310 Cb -0.02 -0.83 0.06 0.00 1.25 0.00 0.00 42.46 42.92 3hgz s ILE 310 CO -0.07 -0.31 -0.08 -0.13 0.24 0.00 0.00 174.94 174.59 3hgz s ARG 311 N -1.67 1.89 0.06 0.37 0.52 -1.25 -3.95 118.95 114.92 3hgz s ARG 311 Ca -0.06 -1.11 0.05 0.00 -0.52 0.00 0.00 55.73 54.08 3hgz s ARG 311 Cb -0.10 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 3hgz s ARG 311 CO 0.01 -0.57 -0.13 -0.80 0.02 0.00 0.00 175.30 173.83 3hgz s ASN 312 N 1.28 1.57 -0.16 0.23 0.01 -0.55 -0.18 114.94 117.15 3hgz s ASN 312 Ca -0.07 -0.58 -0.02 0.00 -0.71 0.00 0.00 52.86 51.49 3hgz s ASN 312 Cb -0.19 -0.05 -0.01 0.00 0.41 0.00 0.00 41.25 41.41 3hgz s ASN 312 CO -0.06 -0.07 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.15 3hgz s LEU 313 N -1.60 2.83 -0.19 0.60 2.96 -0.59 -0.15 118.68 122.54 3hgz s LEU 313 Ca -0.02 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3hgz s LEU 313 Cb -0.10 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3hgz s LEU 313 CO 0.02 0.11 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.71 3hgz s TYR 314 N 0.69 2.83 -0.09 5.38 2.02 0.16 -1.66 117.35 126.68 3hgz s TYR 314 Ca -0.05 -1.32 0.02 0.00 -0.37 0.00 0.00 57.07 55.35 3hgz s TYR 314 Cb -0.15 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 3hgz s TYR 314 CO 0.02 -0.67 -0.16 0.08 -1.57 0.00 0.00 175.55 173.25 3hgz s VAL 315 N 1.27 2.84 -0.04 0.71 1.01 -0.71 0.15 120.40 125.63 3hgz s VAL 315 Ca 0.03 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3hgz s VAL 315 Cb -0.14 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3hgz s VAL 315 CO -0.08 0.55 0.09 -0.89 0.00 0.00 0.00 175.10 174.77 3hgz s THR 316 N -0.03 -0.04 -0.10 3.92 2.01 -0.05 -1.63 115.64 119.72 3hgz s THR 316 Ca -0.04 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.15 3hgz s THR 316 Cb -0.14 -0.15 0.00 0.00 0.01 0.00 0.00 72.50 72.22 3hgz s THR 316 CO 0.04 0.06 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.44 3hgz s PHE 317 N 0.87 2.54 0.45 4.92 0.40 -0.50 -0.14 117.98 126.52 3hgz s PHE 317 Ca -0.07 -1.06 -0.23 0.00 -0.60 0.00 0.00 56.93 54.97 3hgz s PHE 317 Cb -0.09 -1.70 -0.08 0.00 0.51 0.00 0.00 43.02 41.66 3hgz s PHE 317 CO -0.03 -0.43 1.17 -1.25 0.70 0.00 0.00 175.22 175.38 3hgz s PRO 318 N 0.37 3.82 0.04 0.24 0.04 -1.26 -1.33 135.00 136.92 3hgz s PRO 318 Ca -0.18 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.62 3hgz s PRO 318 Cb -0.18 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 3hgz s PRO 318 CO 0.08 -0.51 0.07 0.96 0.04 0.00 0.00 177.00 177.64 3hgz s ILE 319 N -1.51 0.14 0.74 0.56 -4.36 -0.57 -4.86 121.20 111.34 3hgz s ILE 319 Ca 0.62 -1.17 -0.15 0.00 -0.26 0.00 0.00 60.65 59.70 3hgz s ILE 319 Cb -0.29 -0.91 0.04 0.00 1.25 0.00 0.00 42.46 42.55 3hgz s ILE 319 CO 0.36 -0.64 1.19 -2.16 0.24 0.00 0.00 174.94 173.93 3hgz s PRO 320 N -2.66 2.12 -0.20 0.37 0.04 -1.26 -1.96 135.00 131.44 3hgz s PRO 320 Ca -0.05 1.71 -0.34 0.00 0.04 0.00 0.00 61.00 62.36 3hgz s PRO 320 Cb -0.01 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 3hgz s PRO 320 CO -0.05 -1.84 2.00 -3.47 0.04 0.00 0.00 177.00 173.68 3hgz n ASP 321 N -2.80 2.93 -0.14 6.66 4.64 -1.25 -4.39 116.55 122.20 3hgz n ASP 321 Ca 0.13 0.72 0.12 0.00 -1.38 0.00 0.00 54.79 54.38 3hgz n ASP 321 Cb 0.50 -1.34 0.23 0.00 -1.04 0.00 0.00 41.12 39.48 3hgz n ASP 321 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3hgz n LEU 322 N 8.13 0.90 -0.32 -2.67 4.77 -1.26 -4.48 117.00 122.07 3hgz n LEU 322 Ca 0.29 -0.23 0.06 0.00 -0.03 0.00 0.00 56.01 56.11 3hgz n LEU 322 Cb 0.28 -0.15 0.14 0.00 -2.33 0.00 0.00 43.42 41.36 3hgz n LEU 322 CO 0.74 0.19 0.60 1.67 -1.33 0.00 0.00 177.39 179.26 3hgz n GLN 323 N -1.04 -0.08 0.26 3.23 -0.06 -1.26 -0.90 117.38 117.53 3hgz n GLN 323 Ca 0.08 1.37 0.10 0.00 -2.00 0.00 0.00 57.00 56.55 3hgz n GLN 323 Cb 0.35 -2.06 0.69 0.00 -4.06 0.00 0.00 30.24 25.16 3hgz n GLN 323 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 3hgz h LYS 324 N 0.00 0.00 -0.94 3.69 2.10 -2.01 -1.67 116.57 117.75 3hgz h LYS 324 Ca 0.44 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 59.03 3hgz h LYS 324 Cb 0.71 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.00 3hgz h LYS 324 CO -0.90 0.11 0.07 0.66 -2.00 0.00 0.00 179.45 177.40 3hgz n TYR 325 N -3.96 0.67 0.05 0.07 4.01 -0.08 -4.54 117.16 113.37 3hgz n TYR 325 Ca -0.02 -0.47 0.11 0.00 -0.16 0.00 0.00 57.90 57.36 3hgz n TYR 325 Cb 0.20 -0.31 0.57 0.00 -0.31 0.00 0.00 39.34 39.49 3hgz n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3hgz h TYR 326 N 0.72 0.23 -0.50 -0.72 -0.00 -1.42 0.21 116.97 115.50 3hgz h TYR 326 Ca 0.07 0.01 0.10 0.00 0.00 0.00 0.00 58.73 58.90 3hgz h TYR 326 Cb 1.15 -0.08 -0.08 0.00 0.00 0.00 0.00 36.73 37.72 3hgz h TYR 326 CO 0.35 0.12 0.01 0.87 -0.00 0.00 0.00 178.16 179.51 3hgz h LYS 327 N 0.23 0.13 0.00 0.10 1.79 -1.87 -2.96 116.57 113.98 3hgz h LYS 327 Ca 0.17 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.52 3hgz h LYS 327 Cb 0.39 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 3hgz h LYS 327 CO -0.03 0.08 -1.73 -1.13 -1.08 0.00 0.00 179.45 175.56 3hgz n SER 328 N -5.22 0.39 -3.74 0.86 3.41 -0.81 -1.61 113.62 106.90 3hgz n SER 328 Ca 0.05 0.16 -0.26 0.00 -0.26 0.00 0.00 58.87 58.57 3hgz n SER 328 Cb 0.27 1.03 0.01 0.00 -0.26 0.00 0.00 64.21 65.26 3hgz n SER 328 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hgz n ASN 329 N -2.60 -5.14 -0.10 4.04 4.05 0.68 -4.75 115.26 111.44 3hgz n ASN 329 Ca -0.10 -0.92 -0.00 0.00 0.45 0.00 0.00 54.58 54.01 3hgz n ASN 329 Cb 0.75 -2.25 0.26 0.00 1.23 0.00 0.00 39.78 39.77 3hgz n ASN 329 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3hgz h PRO 330 N -0.70 0.75 -0.63 1.20 0.13 -1.92 -2.82 132.00 128.01 3hgz h PRO 330 Ca -0.57 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.41 3hgz h PRO 330 Cb 1.35 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3hgz h PRO 330 CO 0.39 0.62 0.27 0.78 -0.23 0.00 0.00 178.00 179.84 3hgz h GLY 331 N 0.88 0.97 1.14 1.56 0.00 -1.93 -1.62 103.07 104.07 3hgz h GLY 331 Ca 0.18 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3hgz h GLY 331 CO -0.02 0.46 0.44 0.84 0.00 0.00 0.00 176.54 178.26 3hgz h HIS 332 N 0.90 1.11 -0.32 5.60 6.17 -1.88 -0.15 115.15 126.58 3hgz h HIS 332 Ca 0.22 -0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.18 3hgz h HIS 332 Cb 0.14 -0.36 -0.01 0.00 2.52 0.00 0.00 27.41 29.71 3hgz h HIS 332 CO 0.01 0.77 -0.13 -0.92 0.71 0.00 0.00 177.93 178.37 3hgz h TYR 333 N 1.13 0.75 -0.04 5.26 3.20 -1.27 0.45 116.97 126.46 3hgz h TYR 333 Ca 0.29 -0.18 -0.18 0.00 3.14 0.00 0.00 58.73 61.80 3hgz h TYR 333 Cb 0.03 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3hgz h TYR 333 CO 0.01 0.86 -0.75 -0.07 -1.64 0.00 0.00 178.16 176.57 3hgz h LEU 334 N 0.43 0.35 0.04 2.82 3.38 -1.26 -2.74 115.31 118.31 3hgz h LEU 334 Ca 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hgz h LEU 334 Cb 0.65 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hgz h LEU 334 CO 0.04 0.98 -0.02 1.23 0.09 0.00 0.00 178.44 180.76 3hgz h GLY 335 N 1.53 -0.05 0.28 0.83 0.00 -0.89 -0.31 103.07 104.46 3hgz h GLY 335 Ca -0.03 0.02 0.18 0.00 0.00 0.00 0.00 47.33 47.50 3hgz h GLY 335 CO 0.12 -0.02 0.61 0.84 0.00 0.00 0.00 176.54 178.09 3hgz h HIS 336 N -0.11 0.87 0.00 5.60 -0.00 -0.80 0.15 115.15 120.86 3hgz h HIS 336 Ca -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3hgz h HIS 336 Cb 0.10 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 3hgz h HIS 336 CO -0.05 0.24 -0.10 -0.07 -0.00 0.00 0.00 177.93 177.95 3hgz h LEU 337 N 0.67 0.00 -1.06 0.26 4.07 -1.24 -2.98 115.31 115.02 3hgz h LEU 337 Ca 0.52 -0.33 0.10 0.00 0.08 0.00 0.00 57.88 58.24 3hgz h LEU 337 Cb 0.92 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.58 3hgz h LEU 337 CO -0.28 0.72 0.62 0.40 -1.08 0.00 0.00 178.44 178.83 3hgz h ILE 338 N -1.00 0.99 -0.13 1.22 2.04 -1.00 -1.95 117.51 117.68 3hgz h ILE 338 Ca -0.02 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3hgz h ILE 338 Cb 0.41 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3hgz h ILE 338 CO -0.01 0.19 0.00 0.61 0.00 0.00 0.00 178.15 178.94 3hgz n GLY 339 N -1.37 0.01 3.77 5.37 0.00 0.52 -4.69 105.19 108.79 3hgz n GLY 339 Ca 0.17 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3hgz n GLY 339 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hgz s HIS 340 N -1.83 2.78 -1.14 1.61 5.04 -0.73 -4.82 115.29 116.19 3hgz s HIS 340 Ca 0.31 1.39 0.11 0.00 -1.54 0.00 0.00 55.06 55.33 3hgz s HIS 340 Cb 0.16 -3.70 0.20 0.00 0.04 0.00 0.00 32.58 29.29 3hgz s HIS 340 CO 0.25 -2.18 1.06 0.39 -2.34 0.00 0.00 174.74 171.91 3hgz n GLU 341 N 0.08 1.75 -1.13 2.88 1.02 -1.26 -4.32 120.64 119.66 3hgz n GLU 341 Ca 0.04 -1.62 -0.08 0.00 -0.02 0.00 0.00 57.16 55.48 3hgz n GLU 341 Cb 0.43 -1.24 0.05 0.00 -0.02 0.00 0.00 31.44 30.66 3hgz n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgz n GLY 342 N 0.56 0.23 3.55 0.62 0.00 -1.26 -4.36 105.19 104.54 3hgz n GLY 342 Ca 0.09 -1.91 -0.46 0.00 0.00 0.00 0.00 46.02 43.74 3hgz n GLY 342 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hgz n PRO 343 N -1.71 1.05 -0.96 1.61 -0.02 -1.26 -1.68 135.00 132.03 3hgz n PRO 343 Ca 0.06 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3hgz n PRO 343 Cb 0.20 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3hgz n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hgz n GLY 344 N 1.55 0.81 3.85 -1.23 0.00 -1.26 -4.72 105.19 104.19 3hgz n GLY 344 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3hgz n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hgz s SER 345 N -2.71 4.93 0.12 1.61 1.04 -0.67 -1.65 113.70 116.36 3hgz s SER 345 Ca 0.00 1.14 -0.19 0.00 0.48 0.00 0.00 55.95 57.39 3hgz s SER 345 Cb 0.00 -1.87 -0.05 0.00 0.10 0.00 0.00 66.02 64.19 3hgz s SER 345 CO 0.00 -1.68 1.73 0.25 0.98 0.00 0.00 173.24 174.52 3hgz h LEU 346 N -0.89 0.32 -0.18 2.42 5.85 -1.84 -2.67 115.31 118.33 3hgz h LEU 346 Ca -0.46 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.24 3hgz h LEU 346 Cb 1.27 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 3hgz h LEU 346 CO 0.62 0.31 -0.26 0.25 -0.34 0.00 0.00 178.44 179.02 3hgz h LEU 347 N 0.31 -0.82 -0.74 2.25 6.46 -1.85 -2.41 115.31 118.51 3hgz h LEU 347 Ca 0.09 0.13 0.09 0.00 -0.12 0.00 0.00 57.88 58.08 3hgz h LEU 347 Cb 0.05 0.37 -0.11 0.00 -0.73 0.00 0.00 40.66 40.24 3hgz h LEU 347 CO -0.02 -0.30 -0.51 0.28 -0.62 0.00 0.00 178.44 177.28 3hgz h SER 348 N -0.30 -1.79 -0.81 1.25 0.02 -1.75 0.32 113.55 110.49 3hgz h SER 348 Ca 0.12 0.28 0.01 0.00 -0.84 0.00 0.00 61.79 61.36 3hgz h SER 348 Cb 0.48 0.80 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 3hgz h SER 348 CO -0.35 -0.31 0.54 -0.08 -1.14 0.00 0.00 176.83 175.49 3hgz h GLU 349 N -0.15 1.06 0.00 3.45 4.57 -1.32 -0.86 114.58 121.33 3hgz h GLU 349 Ca 0.18 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 3hgz h GLU 349 Cb 0.52 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3hgz h GLU 349 CO -0.80 0.70 -0.38 -0.07 -1.18 0.00 0.00 179.01 177.28 3hgz h LEU 350 N 1.09 0.00 -0.40 1.64 3.38 -0.59 -1.35 115.31 119.08 3hgz h LEU 350 Ca 0.30 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 3hgz h LEU 350 Cb -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3hgz h LEU 350 CO -0.07 0.38 -0.77 0.50 0.09 0.00 0.00 178.44 178.57 3hgz h LYS 351 N 0.00 0.28 -0.04 1.13 3.64 0.01 -1.11 116.57 120.48 3hgz h LYS 351 Ca -0.00 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 58.98 3hgz h LYS 351 Cb 0.75 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3hgz h LYS 351 CO 0.05 0.92 -0.65 0.77 -2.27 0.00 0.00 179.45 178.27 3hgz h SER 352 N 0.18 0.19 0.01 4.20 0.02 -0.43 -1.79 113.55 115.94 3hgz h SER 352 Ca -0.03 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3hgz h SER 352 Cb 1.35 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3hgz h SER 352 CO 0.12 0.79 -0.00 0.29 -1.14 0.00 0.00 176.83 176.89 3hgz n LYS 353 N -3.81 1.21 -2.50 3.45 5.02 -0.58 -4.91 118.16 116.05 3hgz n LYS 353 Ca -0.02 -0.33 -0.13 0.00 -2.02 0.00 0.00 58.31 55.81 3hgz n LYS 353 Cb 0.65 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.18 3hgz n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hgz n GLY 354 N 1.07 -0.08 0.12 0.72 0.00 -0.67 -4.96 105.19 101.38 3hgz n GLY 354 Ca 0.22 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 3hgz n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hgz n TRP 355 N -4.00 0.62 -3.95 1.61 8.01 -0.44 -4.18 117.44 115.10 3hgz n TRP 355 Ca -0.10 0.16 -0.10 0.00 -1.31 0.00 0.00 57.50 56.15 3hgz n TRP 355 Cb 0.59 -1.09 -0.11 0.00 -2.01 0.00 0.00 31.31 28.69 3hgz n TRP 355 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 3hgz s VAL 356 N -2.54 0.09 -0.21 -0.99 -7.23 -1.06 -0.74 120.40 107.72 3hgz s VAL 356 Ca -0.21 -0.74 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 3hgz s VAL 356 Cb 0.07 -0.24 -0.21 0.00 0.56 0.00 0.00 36.38 36.57 3hgz s VAL 356 CO 0.73 -0.41 0.01 0.59 -0.31 0.00 0.00 175.10 175.72 3hgz n ASN 357 N 1.83 1.17 -4.03 4.85 3.02 -1.26 -3.69 115.26 117.15 3hgz n ASN 357 Ca -0.22 -0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.22 3hgz n ASN 357 Cb 0.56 0.10 -0.11 0.00 -0.61 0.00 0.00 39.78 39.72 3hgz n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hgz s THR 358 N -2.52 0.29 -0.05 3.41 -4.23 -1.26 -5.02 115.64 106.26 3hgz s THR 358 Ca -0.22 -1.12 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 3hgz s THR 358 Cb 0.08 -0.59 0.01 0.00 1.34 0.00 0.00 72.50 73.34 3hgz s THR 358 CO 0.72 -0.54 0.13 -0.22 -0.54 0.00 0.00 174.62 174.17 3hgz s LEU 359 N -1.76 1.47 -0.10 4.79 0.20 -1.26 -2.54 118.68 119.49 3hgz s LEU 359 Ca -0.10 0.26 0.01 0.00 0.69 0.00 0.00 54.13 54.99 3hgz s LEU 359 Cb -0.07 0.43 0.02 0.00 -0.43 0.00 0.00 46.19 46.14 3hgz s LEU 359 CO -0.02 -0.05 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.20 3hgz s VAL 360 N 0.13 1.11 0.16 1.68 1.01 0.17 -4.98 120.40 119.68 3hgz s VAL 360 Ca -0.00 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3hgz s VAL 360 Cb -0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3hgz s VAL 360 CO -0.00 0.37 -0.11 -0.83 0.00 0.00 0.00 175.10 174.53 3hgz s GLY 361 N 1.28 1.14 0.00 4.51 0.00 -1.26 -0.33 107.32 112.66 3hgz s GLY 361 Ca -0.03 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.17 3hgz s GLY 361 CO -0.04 -1.63 0.00 0.61 0.00 0.00 0.00 173.10 172.05 3hgz n GLY 362 N -0.23 0.53 3.82 0.20 0.00 -0.46 -4.62 105.19 104.43 3hgz n GLY 362 Ca -0.10 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.36 3hgz n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hgz s GLN 363 N -0.64 4.20 -0.09 1.61 -2.07 -1.26 -0.81 119.66 120.61 3hgz s GLN 363 Ca 0.00 0.81 0.04 0.00 -1.82 0.00 0.00 55.36 54.40 3hgz s GLN 363 Cb 0.00 -2.86 -0.00 0.00 -1.09 0.00 0.00 33.01 29.06 3hgz s GLN 363 CO 0.00 0.39 -0.24 0.21 -1.32 0.00 0.00 175.29 174.34 3hgz s LYS 364 N -2.03 2.83 0.59 9.60 2.20 0.54 -4.91 119.74 128.57 3hgz s LYS 364 Ca 0.43 -0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 55.00 3hgz s LYS 364 Cb -0.16 -2.20 -0.07 0.00 -1.51 0.00 0.00 37.83 33.89 3hgz s LYS 364 CO 0.21 0.22 0.74 0.39 -0.36 0.00 0.00 175.35 176.55 3hgz n GLU 365 N 3.39 0.69 0.00 4.03 -0.58 -1.26 -1.29 120.64 125.62 3hgz n GLU 365 Ca -0.19 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 3hgz n GLU 365 Cb 0.53 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 3hgz n GLU 365 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hgz n GLY 366 N 1.54 1.23 0.21 0.62 0.00 -1.18 -4.59 105.19 103.02 3hgz n GLY 366 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3hgz n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgz n ALA 367 N -3.00 0.00 -1.63 4.61 0.00 -0.58 -4.98 120.51 114.94 3hgz n ALA 367 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 3hgz n ALA 367 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 3hgz n ALA 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hgz n ARG 368 N -0.04 2.44 0.00 0.00 1.74 -1.26 -2.35 116.66 117.19 3hgz n ARG 368 Ca 0.00 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3hgz n ARG 368 Cb 0.04 -3.12 0.00 0.00 -1.02 0.00 0.00 32.46 28.36 3hgz n ARG 368 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hgz n GLY 369 N 5.14 1.88 3.36 -0.13 0.00 -1.26 -0.40 105.19 113.78 3hgz n GLY 369 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 3hgz n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hgz s PHE 370 N -2.26 -0.37 0.30 1.61 -0.12 -0.99 -3.74 117.98 112.41 3hgz s PHE 370 Ca 0.00 0.49 -0.11 0.00 -0.05 0.00 0.00 56.93 57.25 3hgz s PHE 370 Cb 0.00 0.27 0.01 0.00 -0.63 0.00 0.00 43.02 42.67 3hgz s PHE 370 CO 0.00 -0.56 0.56 -1.64 -0.05 0.00 0.00 175.22 173.53 3hgz s MET 371 N -1.97 1.81 0.18 1.99 -1.94 -0.83 -1.52 119.30 117.02 3hgz s MET 371 Ca -0.08 -1.40 0.05 0.00 -1.71 0.00 0.00 55.69 52.55 3hgz s MET 371 Cb -0.02 0.51 -0.05 0.00 2.01 0.00 0.00 34.83 37.29 3hgz s MET 371 CO 0.02 -0.78 -0.10 -0.06 -0.01 0.00 0.00 175.02 174.09 3hgz s PHE 372 N -3.41 1.44 -0.09 -0.03 0.40 -0.41 -1.51 117.98 114.37 3hgz s PHE 372 Ca 0.22 -0.73 0.03 0.00 -0.60 0.00 0.00 56.93 55.85 3hgz s PHE 372 Cb -0.02 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.79 3hgz s PHE 372 CO 0.12 0.15 -0.18 0.12 0.70 0.00 0.00 175.22 176.14 3hgz s PHE 373 N -3.23 2.04 0.05 0.36 2.19 -0.44 -0.34 117.98 118.60 3hgz s PHE 373 Ca 0.20 -0.85 0.08 0.00 0.33 0.00 0.00 56.93 56.69 3hgz s PHE 373 Cb 0.02 -1.42 -0.03 0.00 -1.31 0.00 0.00 43.02 40.28 3hgz s PHE 373 CO 0.04 -0.39 -0.24 0.96 1.83 0.00 0.00 175.22 177.42 3hgz s ILE 374 N 0.62 1.92 -0.19 3.12 -5.25 0.01 -1.41 121.20 120.02 3hgz s ILE 374 Ca -0.14 -1.30 -0.00 0.00 -0.99 0.00 0.00 60.65 58.21 3hgz s ILE 374 Cb -0.16 -1.65 0.05 0.00 2.95 0.00 0.00 42.46 43.64 3hgz s ILE 374 CO 0.04 0.29 -0.06 -0.63 -1.79 0.00 0.00 174.94 172.80 3hgz s ILE 375 N -0.80 1.26 -0.06 8.37 1.01 -0.65 -1.36 121.20 128.97 3hgz s ILE 375 Ca 0.10 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.97 3hgz s ILE 375 Cb -0.09 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 3hgz s ILE 375 CO 0.02 0.06 -0.24 0.20 0.00 0.00 0.00 174.94 174.98 3hgz s ASN 376 N 1.55 2.98 0.21 3.58 0.01 0.55 -1.74 114.94 122.08 3hgz s ASN 376 Ca -0.01 -0.50 0.11 0.00 -0.71 0.00 0.00 52.86 51.74 3hgz s ASN 376 Cb -0.16 -0.89 -0.05 0.00 0.41 0.00 0.00 41.25 40.56 3hgz s ASN 376 CO -0.07 0.22 -0.22 0.68 -1.51 0.00 0.00 177.10 176.20 3hgz s VAL 377 N -0.07 2.26 0.77 1.60 -7.23 -0.66 -0.65 120.40 116.42 3hgz s VAL 377 Ca -0.06 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 57.91 3hgz s VAL 377 Cb -0.14 -2.11 0.08 0.00 0.56 0.00 0.00 36.38 34.77 3hgz s VAL 377 CO 0.04 -0.24 1.12 1.51 -0.31 0.00 0.00 175.10 177.22 3hgz s ASP 378 N -2.90 4.53 -0.07 4.85 3.84 -1.05 -1.54 116.67 124.34 3hgz s ASP 378 Ca 0.22 0.58 0.01 0.00 -0.00 0.00 0.00 52.55 53.36 3hgz s ASP 378 Cb -0.07 -1.11 0.02 0.00 -1.38 0.00 0.00 42.92 40.39 3hgz s ASP 378 CO 0.10 -1.84 -0.06 -0.76 -0.00 0.00 0.00 175.17 172.62 3hgz s LEU 379 N -5.45 1.26 0.84 2.11 1.43 0.75 -4.29 118.68 115.32 3hgz s LEU 379 Ca 0.62 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 3hgz s LEU 379 Cb -0.10 -0.62 0.10 0.00 0.03 0.00 0.00 46.19 45.59 3hgz s LEU 379 CO 0.47 -0.07 1.09 0.42 0.23 0.00 0.00 176.35 178.50 3hgz s THR 380 N 1.19 2.95 0.21 5.49 -4.23 0.08 -4.62 115.64 116.71 3hgz s THR 380 Ca -0.06 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.64 3hgz s THR 380 Cb -0.14 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.12 3hgz s THR 380 CO -0.02 -0.40 1.64 -0.33 -0.54 0.00 0.00 174.62 174.97 3hgz h GLU 381 N -1.36 0.05 -0.39 3.99 5.08 -1.89 0.76 114.58 120.81 3hgz h GLU 381 Ca -0.47 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3hgz h GLU 381 Cb 1.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3hgz h GLU 381 CO 0.53 0.03 0.24 0.93 -1.00 0.00 0.00 179.01 179.75 3hgz h GLU 382 N 0.05 0.53 -0.97 2.33 4.39 -1.91 -2.81 114.58 116.18 3hgz h GLU 382 Ca 0.31 -0.04 0.15 0.00 0.34 0.00 0.00 59.36 60.12 3hgz h GLU 382 Cb 0.49 -0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 28.93 3hgz h GLU 382 CO -0.58 0.38 0.59 0.78 -1.16 0.00 0.00 179.01 179.01 3hgz h GLY 383 N 0.52 1.66 2.00 -3.84 0.00 -1.20 0.13 103.07 102.33 3hgz h GLY 383 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3hgz h GLY 383 CO -0.03 0.03 -0.04 -2.00 0.00 0.00 0.00 176.54 174.50 3hgz h LEU 384 N 0.83 0.00 -0.34 3.11 5.85 -0.67 0.94 115.31 125.03 3hgz h LEU 384 Ca 0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3hgz h LEU 384 Cb 0.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3hgz h LEU 384 CO -0.33 0.04 -0.24 0.18 -0.34 0.00 0.00 178.44 177.75 3hgz n LEU 385 N -3.50 0.76 -1.41 2.25 4.77 0.40 -4.33 117.00 115.94 3hgz n LEU 385 Ca -0.02 -0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 55.82 3hgz n LEU 385 Cb 0.15 -0.17 0.10 0.00 -2.33 0.00 0.00 43.42 41.17 3hgz n LEU 385 CO 0.26 0.15 0.20 1.41 -1.33 0.00 0.00 177.39 178.08 3hgz n HIS 386 N -0.88 0.76 0.17 -1.77 8.25 0.31 -4.87 115.22 117.20 3hgz n HIS 386 Ca 0.12 -1.50 -0.14 0.00 -0.26 0.00 0.00 57.72 55.94 3hgz n HIS 386 Cb 0.33 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.11 3hgz n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hgz h VAL 387 N 3.28 0.74 -1.00 1.59 2.07 -1.72 0.14 116.25 121.35 3hgz h VAL 387 Ca 0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.71 3hgz h VAL 387 Cb 1.37 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 31.78 3hgz h VAL 387 CO 0.21 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.33 3hgz h GLU 388 N -0.35 0.76 -0.19 1.57 4.81 -1.92 -0.07 114.58 119.19 3hgz h GLU 388 Ca -0.04 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3hgz h GLU 388 Cb 0.27 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3hgz h GLU 388 CO 0.06 0.50 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.35 3hgz h ASP 389 N 0.78 0.37 -0.50 1.04 3.32 -1.74 -1.83 116.42 117.86 3hgz h ASP 389 Ca 0.57 -0.37 0.10 0.00 0.02 0.00 0.00 57.03 57.35 3hgz h ASP 389 Cb 0.85 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.22 3hgz h ASP 389 CO -0.37 0.65 -0.01 0.40 -1.72 0.00 0.00 179.24 178.20 3hgz h ILE 390 N 0.08 0.61 -0.49 0.35 2.04 0.04 -0.45 117.51 119.69 3hgz h ILE 390 Ca 0.05 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 3hgz h ILE 390 Cb 0.49 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3hgz h ILE 390 CO 0.02 0.02 0.07 0.40 0.00 0.00 0.00 178.15 178.66 3hgz h ILE 391 N 0.11 1.25 -0.93 -0.67 2.04 -0.96 -1.48 117.51 116.87 3hgz h ILE 391 Ca 0.25 -0.94 0.14 0.00 1.00 0.00 0.00 64.86 65.31 3hgz h ILE 391 Cb 0.38 0.91 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 3hgz h ILE 391 CO -0.42 0.33 0.55 0.25 0.00 0.00 0.00 178.15 178.86 3hgz h LEU 392 N 0.69 0.75 -1.38 1.44 5.85 -0.85 0.14 115.31 121.96 3hgz h LEU 392 Ca 0.15 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3hgz h LEU 392 Cb 0.41 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hgz h LEU 392 CO 0.01 0.36 -0.30 0.45 -0.34 0.00 0.00 178.44 178.62 3hgz h HIS 393 N 0.82 0.02 -0.16 1.25 3.86 -0.13 0.76 115.15 121.56 3hgz h HIS 393 Ca 0.49 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.68 3hgz h HIS 393 Cb 0.59 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 3hgz h HIS 393 CO -0.04 0.31 0.04 0.52 0.86 0.00 0.00 177.93 179.63 3hgz h MET 394 N 0.01 0.26 -0.20 2.45 2.86 0.18 -1.93 114.93 118.57 3hgz h MET 394 Ca -0.00 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 3hgz h MET 394 Cb 0.54 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3hgz h MET 394 CO 0.04 0.41 -0.32 0.74 1.06 0.00 0.00 176.91 178.84 3hgz h PHE 395 N 0.07 0.46 -0.63 -0.22 -1.00 -0.76 -0.97 116.94 113.89 3hgz h PHE 395 Ca 0.05 -0.11 0.01 0.00 2.81 0.00 0.00 57.97 60.74 3hgz h PHE 395 Cb 0.26 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 3hgz h PHE 395 CO 0.01 0.68 0.41 1.96 -1.61 0.00 0.00 178.31 179.76 3hgz h GLN 396 N 0.35 0.81 -0.41 1.51 4.20 -0.75 0.38 115.11 121.20 3hgz h GLN 396 Ca 0.04 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3hgz h GLN 396 Cb 0.73 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3hgz h GLN 396 CO 0.06 0.53 0.01 -0.92 -0.67 0.00 0.00 178.83 177.84 3hgz h TYR 397 N 0.83 0.78 -0.77 2.96 3.20 -0.82 -1.49 116.97 121.66 3hgz h TYR 397 Ca 0.24 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 62.02 3hgz h TYR 397 Cb -0.06 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 37.95 3hgz h TYR 397 CO -0.04 0.78 0.48 0.82 -1.64 0.00 0.00 178.16 178.57 3hgz h ILE 398 N 0.55 1.09 -0.99 1.81 2.04 -0.70 -1.29 117.51 120.02 3hgz h ILE 398 Ca 0.12 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.73 3hgz h ILE 398 Cb 0.47 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 3hgz h ILE 398 CO 0.02 0.17 0.64 -0.61 0.00 0.00 0.00 178.15 178.37 3hgz h GLN 399 N 0.92 1.11 -0.68 2.37 5.75 0.21 -1.50 115.11 123.29 3hgz h GLN 399 Ca 0.31 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.74 3hgz h GLN 399 Cb 0.05 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.32 3hgz h GLN 399 CO -0.13 0.73 0.39 -0.22 -2.65 0.00 0.00 178.83 176.96 3hgz h LYS 400 N 1.14 0.94 -0.42 1.69 1.63 -0.21 -0.56 116.57 120.78 3hgz h LYS 400 Ca 0.43 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 60.16 3hgz h LYS 400 Cb 0.20 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3hgz h LYS 400 CO -0.18 0.69 0.23 -0.07 -3.45 0.00 0.00 179.45 176.67 3hgz h LEU 401 N 0.93 0.36 0.44 5.20 3.38 -0.71 -0.77 115.31 124.14 3hgz h LEU 401 Ca 0.24 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3hgz h LEU 401 Cb 0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hgz h LEU 401 CO -0.04 0.26 -0.33 0.03 0.09 0.00 0.00 178.44 178.45 3hgz h ARG 402 N 0.46 -0.73 -0.38 1.13 3.08 -1.18 0.88 114.38 117.65 3hgz h ARG 402 Ca 0.17 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.38 3hgz h ARG 402 Cb 0.04 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3hgz h ARG 402 CO -0.10 -0.48 0.35 0.00 -1.07 0.00 0.00 179.97 178.67 3hgz h ALA 403 N -0.30 2.15 0.00 0.04 0.00 -0.68 0.80 119.26 121.27 3hgz h ALA 403 Ca -0.04 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 3hgz h ALA 403 Cb 0.64 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3hgz h ALA 403 CO 0.01 -0.54 -1.62 0.39 0.00 0.00 0.00 179.25 177.48 3hgz n GLU 404 N -3.97 0.63 -1.40 0.00 -0.58 -0.33 -5.08 120.64 109.91 3hgz n GLU 404 Ca 0.06 0.19 0.18 0.00 -0.42 0.00 0.00 57.16 57.17 3hgz n GLU 404 Cb 0.52 -1.76 -0.07 0.00 -0.57 0.00 0.00 31.44 29.56 3hgz n GLU 404 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hgz n GLY 405 N 1.47 -2.82 3.55 0.62 0.00 0.29 -4.89 105.19 103.40 3hgz n GLY 405 Ca -0.14 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 3hgz n GLY 405 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hgz n PRO 406 N -4.27 0.65 -4.03 1.61 -0.02 -1.26 -4.95 135.00 122.73 3hgz n PRO 406 Ca -0.05 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 3hgz n PRO 406 Cb 0.66 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 32.01 3hgz n PRO 406 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3hgz s GLN 407 N -2.60 2.52 0.27 -0.52 -1.52 -1.26 -5.00 119.66 111.54 3hgz s GLN 407 Ca 0.73 -1.17 -0.02 0.00 -1.95 0.00 0.00 55.36 52.94 3hgz s GLN 407 Cb -0.41 -2.90 0.36 0.00 -0.22 0.00 0.00 33.01 29.84 3hgz s GLN 407 CO 0.51 -0.48 1.80 1.49 -0.25 0.00 0.00 175.29 178.35 3hgz h GLU 408 N 7.88 0.84 -0.78 2.91 4.81 -2.00 -2.77 114.58 125.48 3hgz h GLU 408 Ca -0.27 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3hgz h GLU 408 Cb 1.07 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 3hgz h GLU 408 CO 0.53 0.78 0.52 0.11 -0.73 0.00 0.00 179.01 180.21 3hgz h TRP 409 N 0.80 0.98 0.82 0.92 5.08 -1.98 0.24 115.95 122.81 3hgz h TRP 409 Ca 0.17 0.02 -0.04 0.00 1.08 0.00 0.00 58.89 60.12 3hgz h TRP 409 Cb 0.35 -0.33 0.01 0.00 -3.00 0.00 0.00 29.16 26.19 3hgz h TRP 409 CO 0.02 0.62 -0.39 0.28 -1.28 0.00 0.00 178.44 177.69 3hgz h VAL 410 N 1.06 0.20 -0.62 0.12 2.07 -1.93 0.22 116.25 117.36 3hgz h VAL 410 Ca 0.29 -0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.93 3hgz h VAL 410 Cb -0.12 0.20 -0.10 0.00 -1.52 0.00 0.00 31.29 29.75 3hgz h VAL 410 CO -0.06 0.00 0.03 0.15 0.02 0.00 0.00 177.57 177.71 3hgz h PHE 411 N -1.10 0.01 -0.23 1.57 3.57 -1.21 0.05 116.94 119.60 3hgz h PHE 411 Ca -0.11 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.48 3hgz h PHE 411 Cb 0.84 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 3hgz h PHE 411 CO -0.02 -0.14 -0.11 1.96 -2.23 0.00 0.00 178.31 177.77 3hgz h GLN 412 N 0.14 -0.08 -0.55 1.11 1.08 -0.33 0.63 115.11 117.11 3hgz h GLN 412 Ca 0.33 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.60 3hgz h GLN 412 Cb 0.53 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.93 3hgz h GLN 412 CO -0.51 -0.05 0.25 1.49 -0.95 0.00 0.00 178.83 179.05 3hgz h GLU 413 N -0.08 0.46 -0.42 1.46 4.81 0.61 0.14 114.58 121.56 3hgz h GLU 413 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3hgz h GLU 413 Cb 0.27 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3hgz h GLU 413 CO -0.29 0.30 0.26 -0.07 -0.73 0.00 0.00 179.01 178.49 3hgz h LEU 414 N 0.47 0.49 -0.18 1.64 4.07 -0.58 -1.45 115.31 119.78 3hgz h LEU 414 Ca 0.26 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.21 3hgz h LEU 414 Cb 0.23 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 3hgz h LEU 414 CO -0.21 0.38 -0.04 0.50 -1.08 0.00 0.00 178.44 177.99 3hgz h LYS 415 N 0.55 0.01 -0.31 1.13 3.64 -0.18 -0.44 116.57 120.98 3hgz h LYS 415 Ca 0.15 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3hgz h LYS 415 Cb -0.03 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3hgz h LYS 415 CO -0.03 0.01 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.54 3hgz h ASP 416 N 0.01 0.55 -0.10 4.20 3.32 -0.87 -0.02 116.42 123.50 3hgz h ASP 416 Ca 0.09 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3hgz h ASP 416 Cb 0.13 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3hgz h ASP 416 CO -0.18 0.74 -0.03 0.25 -1.72 0.00 0.00 179.24 178.30 3hgz h LEU 417 N 0.50 0.20 -1.91 1.55 5.85 -1.05 -2.45 115.31 118.01 3hgz h LEU 417 Ca 0.08 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3hgz h LEU 417 Cb 0.59 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3hgz h LEU 417 CO 0.04 0.54 0.12 0.78 -0.34 0.00 0.00 178.44 179.58 3hgz h ASN 418 N -0.14 0.10 0.28 1.25 4.21 -0.74 0.14 115.58 120.68 3hgz h ASN 418 Ca 0.02 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 3hgz h ASN 418 Cb 0.45 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3hgz h ASN 418 CO 0.01 0.07 -0.13 0.00 -1.29 0.00 0.00 177.43 176.09 3hgz h ALA 419 N 1.90 -0.37 -0.40 -0.83 0.00 -0.79 -1.88 119.26 116.89 3hgz h ALA 419 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hgz h ALA 419 Cb 0.16 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hgz h ALA 419 CO -0.01 -0.61 0.25 0.28 0.00 0.00 0.00 179.25 179.16 3hgz h VAL 420 N -0.57 1.12 -0.44 0.00 2.07 -0.96 0.22 116.25 117.68 3hgz h VAL 420 Ca -0.04 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.31 3hgz h VAL 420 Cb 0.42 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 3hgz h VAL 420 CO 0.06 0.12 -0.23 0.00 0.02 0.00 0.00 177.57 177.55 3hgz h ALA 421 N 1.12 0.08 -0.22 1.67 0.00 -0.69 -1.64 119.26 119.58 3hgz h ALA 421 Ca 0.14 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3hgz h ALA 421 Cb -0.02 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hgz h ALA 421 CO -0.03 -0.58 0.04 0.35 0.00 0.00 0.00 179.25 179.03 3hgz h PHE 422 N -0.14 0.38 -0.73 0.00 3.57 -1.10 -1.14 116.94 117.78 3hgz h PHE 422 Ca 0.21 -0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.79 3hgz h PHE 422 Cb 0.47 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.01 3hgz h PHE 422 CO -0.48 0.49 0.29 -0.09 -2.23 0.00 0.00 178.31 176.29 3hgz h ARG 423 N 0.16 0.44 -0.29 1.11 2.43 -0.50 -2.94 114.38 114.79 3hgz h ARG 423 Ca 0.07 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3hgz h ARG 423 Cb 0.31 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3hgz h ARG 423 CO 0.00 0.29 0.00 1.19 -1.51 0.00 0.00 179.97 179.95 3hgz n PHE 424 N -4.99 1.05 -1.56 2.20 3.01 -0.66 -4.23 117.46 112.28 3hgz n PHE 424 Ca 0.13 -0.92 -0.42 0.00 1.01 0.00 0.00 57.45 57.25 3hgz n PHE 424 Cb 0.38 -0.34 0.01 0.00 -0.01 0.00 0.00 39.48 39.51 3hgz n PHE 424 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3hgz n LYS 425 N -0.49 1.08 -2.57 -1.08 4.81 -0.44 -4.95 118.16 114.52 3hgz n LYS 425 Ca 0.23 0.39 -0.37 0.00 -0.87 0.00 0.00 58.31 57.69 3hgz n LYS 425 Cb 0.93 -1.85 -0.04 0.00 0.02 0.00 0.00 35.03 34.09 3hgz n LYS 425 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3hgz s ASP 426 N -0.80 6.84 -0.00 3.14 1.01 -1.26 -4.98 116.67 120.61 3hgz s ASP 426 Ca 0.63 2.02 -0.30 0.00 0.71 0.00 0.00 52.55 55.61 3hgz s ASP 426 Cb -0.59 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 40.70 3hgz s ASP 426 CO 0.57 -0.43 1.51 -0.75 0.21 0.00 0.00 175.17 176.27 3hgz s LYS 427 N -2.43 4.24 0.58 8.23 2.20 -1.26 -4.96 119.74 126.34 3hgz s LYS 427 Ca 0.57 2.08 -0.16 0.00 -0.36 0.00 0.00 55.97 58.09 3hgz s LYS 427 Cb -0.22 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 3hgz s LYS 427 CO 0.27 -0.68 1.06 -1.21 -0.36 0.00 0.00 175.35 174.43 3hgz s GLU 428 N 2.86 3.38 0.24 4.03 8.01 -1.26 -4.40 118.70 131.55 3hgz s GLU 428 Ca 0.68 1.24 -0.30 0.00 0.01 0.00 0.00 54.97 56.60 3hgz s GLU 428 Cb -0.33 -2.04 -0.10 0.00 -4.31 0.00 0.00 34.13 27.35 3hgz s GLU 428 CO 0.28 -0.77 1.43 0.50 0.01 0.00 0.00 175.26 176.71 3hgz s ARG 429 N -3.94 4.28 0.13 1.61 3.52 -1.26 -4.94 118.95 118.34 3hgz s ARG 429 Ca 0.64 2.28 -0.28 0.00 -0.13 0.00 0.00 55.73 58.25 3hgz s ARG 429 Cb -0.16 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 3hgz s ARG 429 CO 0.34 -0.41 1.61 -1.35 -0.81 0.00 0.00 175.30 174.68 3hgz h PRO 430 N 5.06 -0.46 -0.31 5.12 0.11 -1.95 -2.22 132.00 137.35 3hgz h PRO 430 Ca -0.46 0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.75 3hgz h PRO 430 Cb 1.22 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.37 3hgz h PRO 430 CO 0.78 -0.31 -0.10 -0.09 -0.21 0.00 0.00 178.00 178.07 3hgz h ARG 431 N -0.48 -0.03 -0.09 1.05 2.43 -1.92 0.51 114.38 115.85 3hgz h ARG 431 Ca 0.07 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3hgz h ARG 431 Cb 0.58 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3hgz h ARG 431 CO -0.30 -0.02 -0.27 0.78 -1.51 0.00 0.00 179.97 178.65 3hgz h GLY 432 N -0.03 0.17 0.57 2.80 0.00 -1.96 -2.87 103.07 101.76 3hgz h GLY 432 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3hgz h GLY 432 CO -0.34 0.12 -0.07 -1.82 0.00 0.00 0.00 176.54 174.43 3hgz h TYR 433 N 0.14 -0.18 -0.72 5.60 3.20 -0.45 -1.14 116.97 123.41 3hgz h TYR 433 Ca 0.02 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.92 3hgz h TYR 433 Cb 0.57 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 3hgz h TYR 433 CO 0.01 0.21 0.45 1.79 -1.64 0.00 0.00 178.16 178.97 3hgz h THR 434 N -0.63 1.09 0.08 1.81 1.35 -1.05 -1.20 112.91 114.36 3hgz h THR 434 Ca -0.02 -0.30 0.01 0.00 -0.55 0.00 0.00 66.41 65.55 3hgz h THR 434 Cb 0.47 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.01 3hgz h THR 434 CO 0.03 0.16 -0.15 -1.28 -0.25 0.00 0.00 175.52 174.03 3hgz h SER 435 N 0.87 -0.43 -0.12 5.36 0.87 -1.48 0.95 113.55 119.57 3hgz h SER 435 Ca 0.29 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 3hgz h SER 435 Cb 0.04 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3hgz h SER 435 CO -0.12 -0.22 0.06 0.50 -0.53 0.00 0.00 176.83 176.52 3hgz h LYS 436 N -0.30 0.17 -0.62 2.24 3.64 -0.92 -2.30 116.57 118.49 3hgz h LYS 436 Ca 0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3hgz h LYS 436 Cb 0.32 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3hgz h LYS 436 CO -0.09 0.22 0.30 0.82 -2.27 0.00 0.00 179.45 178.43 3hgz h ILE 437 N 0.08 1.22 -0.97 2.00 2.04 -1.17 -1.28 117.51 119.43 3hgz h ILE 437 Ca 0.04 -0.60 0.17 0.00 1.00 0.00 0.00 64.86 65.46 3hgz h ILE 437 Cb 0.10 0.47 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 3hgz h ILE 437 CO -0.01 0.25 0.61 0.00 0.00 0.00 0.00 178.15 179.00 3hgz h ALA 438 N 1.13 1.73 -0.63 1.87 0.00 -0.59 -1.25 119.26 121.52 3hgz h ALA 438 Ca 0.21 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3hgz h ALA 438 Cb 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hgz h ALA 438 CO -0.03 -0.04 0.21 0.78 0.00 0.00 0.00 179.25 180.18 3hgz h GLY 439 N 0.77 1.04 0.12 0.00 0.00 -0.67 -3.23 103.07 101.09 3hgz h GLY 439 Ca 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hgz h GLY 439 CO -0.29 0.56 -0.24 0.29 0.00 0.00 0.00 176.54 176.86 3hgz n ILE 440 N -4.39 0.00 0.30 2.60 -5.35 -0.55 -3.70 119.36 108.26 3hgz n ILE 440 Ca 0.04 -0.15 0.17 0.00 -0.27 0.00 0.00 62.75 62.54 3hgz n ILE 440 Cb 0.20 0.44 0.91 0.00 -1.74 0.00 0.00 39.64 39.45 3hgz n ILE 440 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3hgz h LEU 441 N 1.38 0.00 0.00 7.28 3.38 -1.37 -1.28 115.31 124.70 3hgz h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hgz h LEU 441 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hgz h LEU 441 CO 0.00 0.04 0.00 1.41 0.09 0.00 0.00 178.44 179.98 3hgz n HIS 442 N -3.46 0.00 0.00 1.13 8.25 -1.24 -4.07 115.22 115.83 3hgz n HIS 442 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3hgz n HIS 442 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3hgz n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3hgz n TYR 443 N -0.83 0.00 -4.61 4.41 4.02 -0.51 -5.07 117.16 114.57 3hgz n TYR 443 Ca 0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.80 3hgz n TYR 443 Cb 0.06 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.23 3hgz n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hgz s TYR 444 N -1.47 1.28 0.57 -0.72 2.02 -1.04 -5.13 117.35 112.86 3hgz s TYR 444 Ca 0.00 -0.26 -0.18 0.00 -0.37 0.00 0.00 57.07 56.26 3hgz s TYR 444 Cb 0.00 -0.81 -0.09 0.00 -0.40 0.00 0.00 41.96 40.66 3hgz s TYR 444 CO 0.00 -0.01 0.51 -2.30 -1.57 0.00 0.00 175.55 172.18 3hgz n PRO 445 N 2.56 0.49 0.17 -1.71 -0.02 -1.26 -4.72 135.00 130.51 3hgz n PRO 445 Ca -0.15 0.19 0.13 0.00 -2.02 0.00 0.00 63.50 61.66 3hgz n PRO 445 Cb 0.55 -1.68 0.69 0.00 -0.02 0.00 0.00 33.50 33.04 3hgz n PRO 445 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hgz h LEU 446 N 0.22 0.00 0.00 2.45 4.07 -1.98 -1.22 115.31 118.85 3hgz h LEU 446 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 3hgz h LEU 446 Cb 1.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.14 3hgz h LEU 446 CO 0.47 0.00 -0.10 -0.33 -1.08 0.00 0.00 178.44 177.40 3hgz h GLU 447 N 0.00 0.00 -0.01 1.13 3.07 -1.89 -3.31 114.58 113.57 3hgz h GLU 447 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3hgz h GLU 447 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3hgz h GLU 447 CO -0.00 0.00 -0.65 0.39 -1.40 0.00 0.00 179.01 177.35 3hgz n GLU 448 N -3.03 0.83 -0.20 2.33 1.02 -0.47 -2.23 120.64 118.89 3hgz n GLU 448 Ca 0.04 -0.67 0.01 0.00 -0.02 0.00 0.00 57.16 56.51 3hgz n GLU 448 Cb 0.53 -1.48 0.26 0.00 -0.02 0.00 0.00 31.44 30.73 3hgz n GLU 448 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3hgz h VAL 449 N 1.64 1.18 0.00 2.62 -1.51 -1.63 0.18 116.25 118.73 3hgz h VAL 449 Ca 0.00 -0.34 -0.09 0.00 -1.23 0.00 0.00 66.70 65.05 3hgz h VAL 449 Cb 0.67 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.94 3hgz h VAL 449 CO 0.00 0.18 -0.41 -0.07 -1.23 0.00 0.00 177.57 176.04 3hgz h LEU 450 N 0.98 0.00 0.00 4.19 4.07 -1.83 -3.27 115.31 119.44 3hgz h LEU 450 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 3hgz h LEU 450 Cb -0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.64 3hgz h LEU 450 CO -0.06 0.41 -1.70 0.35 -1.08 0.00 0.00 178.44 176.36 3hgz n THR 451 N -3.91 0.00 -0.32 0.22 -2.24 -0.50 -4.71 114.28 102.82 3hgz n THR 451 Ca -0.01 -0.37 0.01 0.00 -2.27 0.00 0.00 64.05 61.40 3hgz n THR 451 Cb 0.46 0.24 0.14 0.00 -2.10 0.00 0.00 70.33 69.07 3hgz n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hgz h ALA 452 N 1.98 1.21 -0.00 6.98 0.00 -1.06 0.41 119.26 128.77 3hgz h ALA 452 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hgz h ALA 452 Cb 0.81 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hgz h ALA 452 CO 0.00 0.31 -0.29 0.39 0.00 0.00 0.00 179.25 179.66 3hgz n GLU 453 N -4.60 0.50 -0.08 0.00 1.02 -1.26 -4.10 120.64 112.12 3hgz n GLU 453 Ca 0.13 -0.27 -0.23 0.00 -0.02 0.00 0.00 57.16 56.77 3hgz n GLU 453 Cb 0.17 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 3hgz n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hgz n TYR 454 N -1.02 0.73 -3.21 -0.32 4.01 -0.36 -5.02 117.16 111.97 3hgz n TYR 454 Ca 0.10 0.24 -0.25 0.00 -0.16 0.00 0.00 57.90 57.83 3hgz n TYR 454 Cb 0.33 -1.08 -0.01 0.00 -0.31 0.00 0.00 39.34 38.27 3hgz n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hgz s LEU 455 N -7.38 3.94 0.02 7.72 1.43 -0.01 -4.73 118.68 119.66 3hgz s LEU 455 Ca -0.30 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3hgz s LEU 455 Cb 0.08 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 3hgz s LEU 455 CO 0.62 -0.34 -0.08 -0.76 0.23 0.00 0.00 176.35 176.02 3hgz s LEU 456 N -4.32 2.12 0.00 1.79 1.43 -1.26 -4.91 118.68 113.53 3hgz s LEU 456 Ca 0.42 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3hgz s LEU 456 Cb -0.10 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.80 3hgz s LEU 456 CO 0.37 -0.02 0.00 -0.62 0.23 0.00 0.00 176.35 176.31 3hgz n GLU 457 N 2.29 0.00 -5.12 1.70 -0.58 -0.63 -4.99 120.64 113.32 3hgz n GLU 457 Ca -0.17 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.25 3hgz n GLU 457 Cb 0.56 -0.07 -0.16 0.00 -0.57 0.00 0.00 31.44 31.21 3hgz n GLU 457 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3hgz s GLU 458 N -0.49 2.72 -0.03 3.49 4.04 -1.25 -5.02 118.70 122.15 3hgz s GLU 458 Ca 0.00 -0.83 -0.30 0.00 0.04 0.00 0.00 54.97 53.88 3hgz s GLU 458 Cb 0.00 -2.29 -0.06 0.00 0.02 0.00 0.00 34.13 31.80 3hgz s GLU 458 CO 0.00 0.38 1.65 0.12 -1.84 0.00 0.00 175.26 175.57 3hgz s PHE 459 N -0.14 2.06 -0.63 4.83 5.36 -1.26 -4.16 117.98 124.05 3hgz s PHE 459 Ca -0.03 0.22 0.05 0.00 -0.96 0.00 0.00 56.93 56.21 3hgz s PHE 459 Cb -0.14 -3.92 0.16 0.00 -0.34 0.00 0.00 43.02 38.78 3hgz s PHE 459 CO 0.04 -3.83 0.41 1.03 -1.46 0.00 0.00 175.22 171.41 3hgz s ARG 460 N 3.78 2.19 0.62 10.12 1.81 -1.26 -4.94 118.95 131.26 3hgz s ARG 460 Ca 0.73 -3.02 0.29 0.00 -1.72 0.00 0.00 55.73 52.02 3hgz s ARG 460 Cb -0.34 -3.22 1.57 0.00 -0.45 0.00 0.00 34.95 32.50 3hgz s ARG 460 CO 0.30 -1.24 1.93 -1.35 -0.68 0.00 0.00 175.30 174.26 3hgz h PRO 461 N 5.77 0.00 0.15 3.54 0.11 -1.99 -1.92 132.00 137.65 3hgz h PRO 461 Ca 0.09 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.90 3hgz h PRO 461 Cb 0.81 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.92 3hgz h PRO 461 CO 0.68 0.00 -1.39 0.38 -0.21 0.00 0.00 178.00 177.46 3hgz h ASP 462 N 0.00 0.49 -0.03 -2.05 3.04 -1.99 -2.52 116.42 113.37 3hgz h ASP 462 Ca 0.10 -0.57 -0.15 0.00 -3.24 0.00 0.00 57.03 53.17 3hgz h ASP 462 Cb 0.87 -0.16 -0.01 0.00 -1.04 0.00 0.00 39.33 38.99 3hgz h ASP 462 CO -0.00 1.46 -0.47 -0.07 -2.04 0.00 0.00 179.24 178.11 3hgz h LEU 463 N 0.09 0.63 -0.33 0.15 3.38 -1.79 0.05 115.31 117.48 3hgz h LEU 463 Ca -0.20 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.52 3hgz h LEU 463 Cb 2.02 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.55 3hgz h LEU 463 CO 0.20 1.00 0.05 0.40 0.09 0.00 0.00 178.44 180.19 3hgz h ILE 464 N 0.46 0.82 0.00 1.22 1.08 -1.45 -1.26 117.51 118.38 3hgz h ILE 464 Ca 0.03 -0.06 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 3hgz h ILE 464 Cb 1.00 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 3hgz h ILE 464 CO 0.09 0.03 -0.46 -0.33 -0.69 0.00 0.00 178.15 176.79 3hgz h GLU 465 N 0.16 0.00 -0.38 2.37 5.08 -1.20 -0.80 114.58 119.82 3hgz h GLU 465 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3hgz h GLU 465 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hgz h GLU 465 CO -0.22 0.46 0.06 1.98 -1.00 0.00 0.00 179.01 180.29 3hgz h MET 466 N 0.00 0.62 -0.00 2.33 4.05 -0.47 -2.04 114.93 119.42 3hgz h MET 466 Ca -0.00 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 3hgz h MET 466 Cb 1.09 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 3hgz h MET 466 CO 0.06 0.68 -0.01 0.28 0.23 0.00 0.00 176.91 178.15 3hgz h VAL 467 N 0.47 1.53 -0.90 -5.77 2.07 -1.01 -3.16 116.25 109.47 3hgz h VAL 467 Ca 0.11 -1.57 0.26 0.00 0.82 0.00 0.00 66.70 66.32 3hgz h VAL 467 Cb 0.36 2.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 3hgz h VAL 467 CO 0.01 0.41 0.65 0.25 0.02 0.00 0.00 177.57 178.90 3hgz h LEU 468 N -0.65 0.01 -0.35 2.57 5.85 -1.19 0.29 115.31 121.85 3hgz h LEU 468 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hgz h LEU 468 Cb 0.68 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3hgz h LEU 468 CO 0.00 0.00 0.00 -0.78 -0.34 0.00 0.00 178.44 177.33 3hgz h ASP 469 N 0.01 0.00 1.32 1.25 3.58 -1.33 -2.89 116.42 118.37 3hgz h ASP 469 Ca 0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 3hgz h ASP 469 Cb 1.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.75 3hgz h ASP 469 CO -0.01 0.00 -0.11 0.29 -2.88 0.00 0.00 179.24 176.53 3hgz n LYS 470 N -2.71 0.24 -2.18 0.28 4.76 0.10 -4.48 118.16 114.18 3hgz n LYS 470 Ca 0.04 0.17 -0.40 0.00 -2.87 0.00 0.00 58.31 55.24 3hgz n LYS 470 Cb 0.42 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 3hgz n LYS 470 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hgz n LEU 471 N -2.16 7.79 -4.43 -0.35 4.77 -1.09 -4.80 117.00 116.73 3hgz n LEU 471 Ca 0.05 -4.99 -0.24 0.00 -0.03 0.00 0.00 56.01 50.80 3hgz n LEU 471 Cb 0.42 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.08 3hgz n LEU 471 CO 0.31 2.01 -0.50 -0.13 -1.33 0.00 0.00 177.39 177.76 3hgz s ARG 472 N -1.80 1.54 0.30 3.23 0.52 -1.26 -5.05 118.95 116.44 3hgz s ARG 472 Ca 0.49 -1.62 0.06 0.00 -0.52 0.00 0.00 55.73 54.15 3hgz s ARG 472 Cb 0.18 -1.70 0.81 0.00 0.52 0.00 0.00 34.95 34.77 3hgz s ARG 472 CO -0.09 0.34 1.68 -1.35 0.02 0.00 0.00 175.30 175.89 3hgz h PRO 473 N 2.77 0.34 0.00 3.54 0.11 -1.91 -0.23 132.00 136.61 3hgz h PRO 473 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hgz h PRO 473 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hgz h PRO 473 CO 0.54 0.22 0.00 -0.85 -0.21 0.00 0.00 178.00 177.71 3hgz n GLU 474 N -5.08 0.11 -0.05 1.05 0.00 -1.26 -2.58 120.64 112.82 3hgz n GLU 474 Ca 0.24 0.22 0.05 0.00 0.00 0.00 0.00 57.16 57.68 3hgz n GLU 474 Cb 0.74 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.76 3hgz n GLU 474 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3hgz n ASN 475 N -1.32 2.11 -4.76 -1.84 5.15 -0.10 -4.55 115.26 109.95 3hgz n ASN 475 Ca 0.04 -2.57 -0.32 0.00 -0.60 0.00 0.00 54.58 51.14 3hgz n ASN 475 Cb 0.08 -0.24 -0.07 0.00 -0.53 0.00 0.00 39.78 39.02 3hgz n ASN 475 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hgz s VAL 476 N -1.97 4.52 -0.10 3.44 0.11 -1.07 -4.15 120.40 121.18 3hgz s VAL 476 Ca 0.17 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 3hgz s VAL 476 Cb 0.15 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.89 3hgz s VAL 476 CO 0.02 0.24 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.68 3hgz s ARG 477 N -2.03 2.85 -0.08 1.54 0.52 0.80 -0.26 118.95 122.30 3hgz s ARG 477 Ca 0.25 -0.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.70 3hgz s ARG 477 Cb -0.12 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 3hgz s ARG 477 CO 0.17 0.14 -0.23 0.08 0.02 0.00 0.00 175.30 175.49 3hgz s VAL 478 N 0.43 2.21 -0.05 3.52 1.01 -0.41 -0.87 120.40 126.24 3hgz s VAL 478 Ca -0.17 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.84 3hgz s VAL 478 Cb -0.17 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3hgz s VAL 478 CO 0.07 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 175.64 3hgz s ALA 479 N 0.04 1.06 -0.13 5.51 0.00 0.12 -0.58 121.76 127.79 3hgz s ALA 479 Ca -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3hgz s ALA 479 Cb -0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3hgz s ALA 479 CO 0.06 0.10 -0.15 0.42 0.00 0.00 0.00 175.76 176.19 3hgz s ILE 480 N 0.60 2.87 -0.20 0.00 1.01 0.11 0.38 121.20 125.97 3hgz s ILE 480 Ca -0.11 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 3hgz s ILE 480 Cb -0.14 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 3hgz s ILE 480 CO 0.02 0.53 -0.07 -0.69 0.00 0.00 0.00 174.94 174.73 3hgz s VAL 481 N 0.36 3.18 -0.27 2.92 1.01 0.79 -0.74 120.40 127.65 3hgz s VAL 481 Ca -0.12 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 3hgz s VAL 481 Cb -0.16 -2.42 0.13 0.00 0.00 0.00 0.00 36.38 33.92 3hgz s VAL 481 CO 0.06 0.45 1.05 -0.55 0.00 0.00 0.00 175.10 176.12 3hgz s SER 482 N 1.28 -0.42 0.66 3.32 0.15 -0.35 -1.48 113.70 116.87 3hgz s SER 482 Ca 0.03 0.77 0.41 0.00 0.70 0.00 0.00 55.95 57.86 3hgz s SER 482 Cb -0.14 0.77 2.26 0.00 -1.71 0.00 0.00 66.02 67.20 3hgz s SER 482 CO -0.03 -0.16 2.29 0.11 1.20 0.00 0.00 173.24 176.64 3hgz h LYS 483 N 3.94 0.00 0.00 5.44 1.79 -1.84 -2.49 116.57 123.41 3hgz h LYS 483 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 3hgz h LYS 483 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3hgz h LYS 483 CO 0.13 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.37 3hgz n SER 484 N -3.11 0.00 -0.33 0.86 3.41 -1.26 -1.46 113.62 111.73 3hgz n SER 484 Ca -0.03 -0.77 0.08 0.00 -0.26 0.00 0.00 58.87 57.90 3hgz n SER 484 Cb 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 3hgz n SER 484 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hgz n PHE 485 N -0.84 0.00 -1.65 7.33 0.99 -0.94 -4.89 117.46 117.46 3hgz n PHE 485 Ca 0.10 0.00 -0.56 0.00 -0.00 0.00 0.00 57.45 56.99 3hgz n PHE 485 Cb 0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.45 3hgz n PHE 485 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3hgz n GLU 486 N -0.31 0.98 -0.11 -1.08 4.07 -0.53 0.08 120.64 123.74 3hgz n GLU 486 Ca 0.07 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.52 3hgz n GLU 486 Cb 0.35 -2.00 0.00 0.00 -0.06 0.00 0.00 31.44 29.73 3hgz n GLU 486 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hgz n GLY 487 N 3.25 2.66 0.87 8.31 0.00 -1.26 -4.84 105.19 114.19 3hgz n GLY 487 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 3hgz n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hgz n LYS 488 N -2.00 2.78 -4.05 1.61 5.02 0.11 -4.99 118.16 116.64 3hgz n LYS 488 Ca 0.00 -2.23 -0.22 0.00 -2.02 0.00 0.00 58.31 53.83 3hgz n LYS 488 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3hgz n LYS 488 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hgz s THR 489 N -1.01 4.82 0.00 -0.18 -4.23 -1.22 -4.92 115.64 108.90 3hgz s THR 489 Ca 0.31 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 3hgz s THR 489 Cb 0.16 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.41 3hgz s THR 489 CO 0.22 -0.30 0.64 -0.90 -0.54 0.00 0.00 174.62 173.74 3hgz n ASP 490 N -1.15 0.64 -4.30 3.99 5.68 -1.00 -4.94 116.55 115.47 3hgz n ASP 490 Ca -0.08 -1.31 -0.18 0.00 -0.50 0.00 0.00 54.79 52.71 3hgz n ASP 490 Cb 0.57 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.44 3hgz n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3hgz s ARG 491 N -0.31 1.18 -0.05 0.11 0.52 0.37 -5.02 118.95 115.75 3hgz s ARG 491 Ca 0.00 -1.41 -0.01 0.00 -0.52 0.00 0.00 55.73 53.79 3hgz s ARG 491 Cb 0.00 -1.03 0.03 0.00 0.52 0.00 0.00 34.95 34.47 3hgz s ARG 491 CO 0.00 0.19 0.01 0.99 0.02 0.00 0.00 175.30 176.50 3hgz s THR 492 N -2.54 0.23 0.22 0.02 2.01 -1.26 -1.54 115.64 112.80 3hgz s THR 492 Ca 0.16 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 3hgz s THR 492 Cb -0.03 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 72.01 3hgz s THR 492 CO 0.05 0.21 1.16 -0.70 -0.69 0.00 0.00 174.62 174.65 3hgz s GLU 493 N 1.64 4.54 0.17 4.92 -6.30 -0.45 -4.91 118.70 118.32 3hgz s GLU 493 Ca -0.01 1.86 0.04 0.00 -2.50 0.00 0.00 54.97 54.36 3hgz s GLU 493 Cb -0.13 -3.22 0.02 0.00 0.00 0.00 0.00 34.13 30.80 3hgz s GLU 493 CO -0.03 0.02 1.40 1.05 0.02 0.00 0.00 175.26 177.71 3hgz h GLU 494 N 4.68 0.15 0.00 4.30 4.11 -1.94 -0.02 114.58 125.85 3hgz h GLU 494 Ca -0.45 -0.16 -0.13 0.00 0.07 0.00 0.00 59.36 58.68 3hgz h GLU 494 Cb 1.21 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3hgz h GLU 494 CO 0.71 0.91 -0.65 -1.49 0.07 0.00 0.00 179.01 178.57 3hgz h TRP 495 N 0.08 0.00 0.00 2.06 4.06 -1.99 -3.36 115.95 116.81 3hgz h TRP 495 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 3hgz h TRP 495 Cb 1.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.64 3hgz h TRP 495 CO 0.02 0.62 -0.53 0.66 -3.56 0.00 0.00 178.44 175.65 3hgz n TYR 496 N -3.25 0.00 -0.98 0.49 4.02 -1.25 -5.01 117.16 111.19 3hgz n TYR 496 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3hgz n TYR 496 Cb 0.79 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 3hgz n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hgz n GLY 497 N 1.64 0.71 3.63 2.72 0.00 -0.02 -4.94 105.19 108.92 3hgz n GLY 497 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 3hgz n GLY 497 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hgz n THR 498 N -2.58 0.07 -2.85 2.61 -1.04 -1.24 -4.51 114.28 104.74 3hgz n THR 498 Ca 0.00 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 3hgz n THR 498 Cb 0.00 -1.10 -0.04 0.00 -1.82 0.00 0.00 70.33 67.38 3hgz n THR 498 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hgz s GLN 499 N 1.17 4.27 0.34 -2.82 -1.52 -1.26 -1.34 119.66 118.51 3hgz s GLN 499 Ca 0.85 1.06 -0.12 0.00 -1.95 0.00 0.00 55.36 55.20 3hgz s GLN 499 Cb -0.89 -3.60 0.03 0.00 -0.22 0.00 0.00 33.01 28.33 3hgz s GLN 499 CO 0.47 -0.42 0.64 1.52 -0.25 0.00 0.00 175.29 177.26 3hgz s TYR 500 N 2.46 0.41 -0.02 0.91 1.13 -0.59 -1.56 117.35 120.09 3hgz s TYR 500 Ca 0.39 -0.88 -0.10 0.00 -1.41 0.00 0.00 57.07 55.07 3hgz s TYR 500 Cb -0.16 0.46 0.01 0.00 -1.10 0.00 0.00 41.96 41.17 3hgz s TYR 500 CO 0.10 -1.33 0.20 0.21 -2.51 0.00 0.00 175.55 172.23 3hgz s LYS 501 N -2.94 0.50 0.10 -3.49 2.20 -0.41 -0.48 119.74 115.22 3hgz s LYS 501 Ca 0.21 -0.22 0.09 0.00 -0.36 0.00 0.00 55.97 55.68 3hgz s LYS 501 Cb -0.03 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 3hgz s LYS 501 CO 0.13 -0.12 -0.22 -1.14 -0.36 0.00 0.00 175.35 173.64 3hgz s GLN 502 N -1.12 1.21 -0.09 4.03 0.74 -1.26 -1.56 119.66 121.61 3hgz s GLN 502 Ca -0.12 -1.17 -0.18 0.00 0.05 0.00 0.00 55.36 53.94 3hgz s GLN 502 Cb -0.06 -1.50 0.04 0.00 1.10 0.00 0.00 33.01 32.59 3hgz s GLN 502 CO 0.02 0.36 0.44 -1.21 -0.55 0.00 0.00 175.29 174.35 3hgz s GLU 503 N -1.84 0.68 -0.08 1.67 2.02 -0.52 -4.99 118.70 115.66 3hgz s GLU 503 Ca 0.08 0.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 3hgz s GLU 503 Cb -0.10 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 3hgz s GLU 503 CO 0.04 -0.16 1.25 0.00 0.02 0.00 0.00 175.26 176.41 3hgz s ALA 504 N -0.63 3.55 0.06 5.21 0.00 -1.26 0.02 121.76 128.71 3hgz s ALA 504 Ca -0.07 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 3hgz s ALA 504 Cb -0.03 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 3hgz s ALA 504 CO 0.04 -0.89 1.80 0.42 0.00 0.00 0.00 175.76 177.13 3hgz s ILE 505 N 2.58 2.95 0.54 0.00 1.01 0.40 -4.87 121.20 123.80 3hgz s ILE 505 Ca 0.57 0.24 -0.21 0.00 0.00 0.00 0.00 60.65 61.25 3hgz s ILE 505 Cb -0.25 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 3hgz s ILE 505 CO 0.21 -0.01 1.27 -2.16 0.00 0.00 0.00 174.94 174.25 3hgz s PRO 506 N 3.38 3.23 0.21 2.79 0.04 -1.26 -4.85 135.00 138.54 3hgz s PRO 506 Ca 0.80 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 63.77 3hgz s PRO 506 Cb -0.42 -2.20 0.27 0.00 0.04 0.00 0.00 34.50 32.19 3hgz s PRO 506 CO 0.36 -1.05 1.77 -0.44 0.04 0.00 0.00 177.00 177.67 3hgz h ASP 507 N 1.44 0.35 -0.84 6.66 3.32 -2.00 -0.48 116.42 124.88 3hgz h ASP 507 Ca -0.50 0.06 0.18 0.00 0.02 0.00 0.00 57.03 56.79 3hgz h ASP 507 Cb 1.29 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.73 3hgz h ASP 507 CO 0.57 0.21 0.36 -0.08 -1.72 0.00 0.00 179.24 178.58 3hgz h GLU 508 N 0.51 0.43 -0.13 3.56 4.81 -1.98 0.28 114.58 122.05 3hgz h GLU 508 Ca 0.31 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3hgz h GLU 508 Cb 0.32 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3hgz h GLU 508 CO -0.26 0.28 -0.12 0.28 -0.73 0.00 0.00 179.01 178.46 3hgz h VAL 509 N 0.44 1.35 -0.50 0.32 2.07 -1.46 -0.61 116.25 117.86 3hgz h VAL 509 Ca 0.49 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.77 3hgz h VAL 509 Cb 0.84 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3hgz h VAL 509 CO -0.47 0.37 0.28 0.40 0.02 0.00 0.00 177.57 178.17 3hgz h ILE 510 N -0.06 1.01 -0.37 4.57 2.04 -1.01 -2.21 117.51 121.48 3hgz h ILE 510 Ca 0.02 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3hgz h ILE 510 Cb 0.65 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 3hgz h ILE 510 CO 0.03 0.10 -0.13 0.11 0.00 0.00 0.00 178.15 178.27 3hgz h LYS 511 N 0.55 -0.04 -0.70 2.37 1.57 -0.21 0.12 116.57 120.23 3hgz h LYS 511 Ca 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3hgz h LYS 511 Cb 0.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3hgz h LYS 511 CO -0.12 -0.03 0.40 0.87 -0.57 0.00 0.00 179.45 180.01 3hgz h LYS 512 N -0.05 0.96 -0.59 3.15 1.57 -0.76 -2.39 116.57 118.46 3hgz h LYS 512 Ca 0.18 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3hgz h LYS 512 Cb 0.32 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3hgz h LYS 512 CO -0.41 0.70 0.12 -1.49 -0.57 0.00 0.00 179.45 177.80 3hgz h TRP 513 N 0.95 0.96 0.00 -1.35 6.55 -0.89 -2.63 115.95 119.54 3hgz h TRP 513 Ca 0.25 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 59.97 3hgz h TRP 513 Cb 0.00 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 28.03 3hgz h TRP 513 CO -0.01 0.80 -0.06 1.96 -1.05 0.00 0.00 178.44 180.08 3hgz h GLN 514 N 0.88 0.00 -0.61 0.49 4.20 -0.29 -2.65 115.11 117.12 3hgz h GLN 514 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3hgz h GLN 514 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3hgz h GLN 514 CO 0.00 0.06 0.00 0.09 -0.67 0.00 0.00 178.83 178.32 3hgz n ASN 515 N -3.64 3.34 -4.71 1.46 3.02 -0.97 -4.97 115.26 108.78 3hgz n ASN 515 Ca -0.02 -2.05 -0.62 0.00 -0.03 0.00 0.00 54.58 51.86 3hgz n ASN 515 Cb 0.17 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.84 3hgz n ASN 515 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hgz n ALA 516 N 1.22 -0.62 -2.45 5.41 0.00 -1.00 -4.94 120.51 118.13 3hgz n ALA 516 Ca 0.20 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 53.87 3hgz n ALA 516 Cb 0.54 -2.11 0.11 0.00 0.00 0.00 0.00 19.45 17.99 3hgz n ALA 516 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hgz n ASP 517 N 4.98 1.00 -4.80 0.00 -0.08 -1.26 -4.87 116.55 111.52 3hgz n ASP 517 Ca 0.29 -1.88 -0.34 0.00 -1.51 0.00 0.00 54.79 51.36 3hgz n ASP 517 Cb 0.05 -0.57 -0.02 0.00 2.34 0.00 0.00 41.12 42.92 3hgz n ASP 517 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3hgz s LEU 518 N 0.00 3.74 -0.19 -2.67 1.43 -1.26 -4.68 118.68 115.05 3hgz s LEU 518 Ca 0.56 1.91 -0.04 0.00 -1.03 0.00 0.00 54.13 55.54 3hgz s LEU 518 Cb -0.03 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.70 3hgz s LEU 518 CO 0.37 -0.92 0.05 0.21 0.23 0.00 0.00 176.35 176.30 3hgz s ASN 519 N -2.19 2.73 0.00 2.29 3.84 -1.26 -5.02 114.94 115.32 3hgz s ASN 519 Ca 0.67 -0.76 0.00 0.00 0.21 0.00 0.00 52.86 52.98 3hgz s ASN 519 Cb -0.17 -0.48 0.00 0.00 -0.55 0.00 0.00 41.25 40.05 3hgz s ASN 519 CO 0.25 -0.32 0.59 0.61 -2.79 0.00 0.00 177.10 175.44 3hgz n GLY 520 N 5.12 -0.17 0.02 1.21 0.00 -1.26 -0.72 105.19 109.39 3hgz n GLY 520 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3hgz n GLY 520 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hgz n LYS 521 N -1.09 0.07 -3.70 1.61 4.01 -1.26 -4.82 118.16 112.99 3hgz n LYS 521 Ca 0.00 0.03 -0.37 0.00 -0.51 0.00 0.00 58.31 57.46 3hgz n LYS 521 Cb 0.13 -1.56 -0.12 0.00 -0.51 0.00 0.00 35.03 32.97 3hgz n LYS 521 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3hgz s PHE 522 N -3.03 3.13 0.08 2.13 2.99 0.10 -4.56 117.98 118.81 3hgz s PHE 522 Ca 0.11 -0.40 0.03 0.00 0.00 0.00 0.00 56.93 56.67 3hgz s PHE 522 Cb 0.17 -2.29 -0.03 0.00 0.00 0.00 0.00 43.02 40.86 3hgz s PHE 522 CO 0.63 -0.36 -0.09 0.15 -0.00 0.00 0.00 175.22 175.55 3hgz s LYS 523 N 1.63 0.74 0.68 0.44 3.01 -0.66 -4.92 119.74 120.66 3hgz s LYS 523 Ca 0.06 -1.04 -0.15 0.00 -1.01 0.00 0.00 55.97 53.82 3hgz s LYS 523 Cb -0.16 -0.42 0.01 0.00 -1.01 0.00 0.00 37.83 36.26 3hgz s LYS 523 CO 0.05 0.06 1.17 -0.51 0.51 0.00 0.00 175.35 176.63 3hgz s LEU 524 N -2.21 3.39 0.67 3.17 2.01 -1.26 -4.39 118.68 120.06 3hgz s LEU 524 Ca 0.01 2.21 -0.17 0.00 0.01 0.00 0.00 54.13 56.19 3hgz s LEU 524 Cb -0.04 -4.57 -0.01 0.00 0.01 0.00 0.00 46.19 41.58 3hgz s LEU 524 CO -0.01 -1.92 1.14 -2.65 1.01 0.00 0.00 176.35 173.92 3hgz n PRO 525 N -2.45 0.85 -2.07 1.29 -0.02 -1.26 -4.95 135.00 126.39 3hgz n PRO 525 Ca 0.12 0.35 -0.28 0.00 -2.02 0.00 0.00 63.50 61.66 3hgz n PRO 525 Cb 0.51 -2.38 0.16 0.00 -0.02 0.00 0.00 33.50 31.77 3hgz n PRO 525 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hgz s THR 526 N -1.57 2.04 0.09 3.45 -4.23 -1.26 -4.99 115.64 109.17 3hgz s THR 526 Ca 0.79 -0.13 -0.31 0.00 -1.18 0.00 0.00 61.69 60.86 3hgz s THR 526 Cb -0.37 -2.91 -0.08 0.00 1.34 0.00 0.00 72.50 70.47 3hgz s THR 526 CO 0.44 0.00 1.51 -0.75 -0.54 0.00 0.00 174.62 175.29 3hgz s LYS 527 N -5.69 4.25 -0.20 3.99 2.47 -1.26 -4.87 119.74 118.43 3hgz s LYS 527 Ca 0.71 2.20 -0.28 0.00 -1.56 0.00 0.00 55.97 57.04 3hgz s LYS 527 Cb -0.05 -3.40 -0.05 0.00 -1.46 0.00 0.00 37.83 32.87 3hgz s LYS 527 CO 0.51 -0.59 2.21 -1.71 0.16 0.00 0.00 175.35 175.92 3hgz n ASN 528 N 4.74 3.33 0.05 1.43 2.85 -1.26 -4.83 115.26 121.57 3hgz n ASN 528 Ca 0.14 0.26 0.12 0.00 -0.11 0.00 0.00 54.58 54.98 3hgz n ASN 528 Cb 0.41 -1.55 0.46 0.00 1.24 0.00 0.00 39.78 40.34 3hgz n ASN 528 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hgz n GLU 529 N 8.66 0.11 0.00 1.20 1.02 -1.26 -3.45 120.64 126.92 3hgz n GLU 529 Ca 0.29 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.76 3hgz n GLU 529 Cb 0.44 -1.66 0.16 0.00 -0.02 0.00 0.00 31.44 30.36 3hgz n GLU 529 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3hgz n PHE 530 N -1.85 0.00 -1.70 -0.32 3.01 -1.26 -4.92 117.46 110.42 3hgz n PHE 530 Ca 0.05 0.00 -0.54 0.00 1.01 0.00 0.00 57.45 57.96 3hgz n PHE 530 Cb 0.30 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.69 3hgz n PHE 530 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3hgz n ILE 531 N 0.69 0.37 -2.50 4.37 2.08 -1.22 -4.85 119.36 118.30 3hgz n ILE 531 Ca 0.13 -0.07 -0.40 0.00 0.56 0.00 0.00 62.75 62.97 3hgz n ILE 531 Cb 0.51 -1.42 -0.04 0.00 -0.75 0.00 0.00 39.64 37.94 3hgz n ILE 531 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3hgz s PRO 532 N 3.53 4.65 -0.03 0.38 0.04 -1.26 -4.94 135.00 137.37 3hgz s PRO 532 Ca 0.96 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.78 3hgz s PRO 532 Cb -0.94 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 3hgz s PRO 532 CO 0.60 0.22 -0.01 0.25 0.04 0.00 0.00 177.00 178.10 3hgz n THR 533 N 1.35 0.19 -2.75 1.26 -2.24 -1.26 -4.97 114.28 105.86 3hgz n THR 533 Ca -0.01 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 3hgz n THR 533 Cb 0.45 -0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 3hgz n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hgz s ASN 534 N -3.85 6.37 -0.13 3.42 2.47 -1.26 -4.90 114.94 117.06 3hgz s ASN 534 Ca -0.03 -0.20 0.15 0.00 0.42 0.00 0.00 52.86 53.20 3hgz s ASN 534 Cb 0.01 -2.47 0.54 0.00 -1.45 0.00 0.00 41.25 37.88 3hgz s ASN 534 CO 0.10 -1.31 1.45 0.49 -3.72 0.00 0.00 177.10 174.11 3hgz n PHE 535 N 7.79 1.05 -2.61 0.43 3.01 -1.26 -4.50 117.46 121.37 3hgz n PHE 535 Ca 0.04 -0.73 -0.43 0.00 1.01 0.00 0.00 57.45 57.34 3hgz n PHE 535 Cb 0.48 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 3hgz n PHE 535 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3hgz s GLU 536 N -2.24 4.37 -0.23 -1.08 -1.05 -1.26 -4.62 118.70 112.59 3hgz s GLU 536 Ca 0.41 1.48 -0.29 0.00 -0.15 0.00 0.00 54.97 56.42 3hgz s GLU 536 Cb 0.30 -3.57 -0.03 0.00 -0.44 0.00 0.00 34.13 30.39 3hgz s GLU 536 CO 0.14 -0.41 1.70 0.42 0.95 0.00 0.00 175.26 178.06 3hgz s ILE 537 N 2.29 3.58 0.42 1.83 -1.09 -1.26 -4.97 121.20 122.00 3hgz s ILE 537 Ca 0.50 0.64 -0.26 0.00 -2.23 0.00 0.00 60.65 59.30 3hgz s ILE 537 Cb -0.20 -3.62 -0.09 0.00 -1.58 0.00 0.00 42.46 36.97 3hgz s ILE 537 CO 0.17 -0.29 1.40 -0.76 -1.23 0.00 0.00 174.94 174.23 3hgz s LEU 538 N 5.67 4.18 0.57 2.97 1.43 -1.26 -4.94 118.68 127.31 3hgz s LEU 538 Ca 0.76 2.86 -0.21 0.00 -1.03 0.00 0.00 54.13 56.51 3hgz s LEU 538 Cb -0.26 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 3hgz s LEU 538 CO 0.31 -1.03 1.33 -2.65 0.23 0.00 0.00 176.35 174.54 3hgz n PRO 539 N 0.01 1.51 -2.13 1.29 -0.02 -1.26 -4.88 135.00 129.53 3hgz n PRO 539 Ca 0.04 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 3hgz n PRO 539 Cb 0.42 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 3hgz n PRO 539 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hgz s LEU 540 N -3.60 4.05 0.70 2.45 2.96 -1.26 -4.96 118.68 119.01 3hgz s LEU 540 Ca 0.75 1.79 -0.16 0.00 -0.22 0.00 0.00 54.13 56.29 3hgz s LEU 540 Cb -0.41 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.72 3hgz s LEU 540 CO 0.47 -1.10 0.69 -0.62 -1.32 0.00 0.00 176.35 174.47 3hgz n GLU 541 N 7.38 0.42 0.00 1.98 1.02 -1.26 -4.85 120.64 125.33 3hgz n GLU 541 Ca 0.18 0.19 0.07 0.00 -0.02 0.00 0.00 57.16 57.57 3hgz n GLU 541 Cb 0.44 -1.96 0.35 0.00 -0.02 0.00 0.00 31.44 30.25 3hgz n GLU 541 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hgz n LYS 542 N -1.04 0.13 -1.99 3.49 2.85 -1.26 -2.19 118.16 118.15 3hgz n LYS 542 Ca 0.11 0.19 -0.11 0.00 -1.05 0.00 0.00 58.31 57.45 3hgz n LYS 542 Cb 0.49 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.43 3hgz n LYS 542 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3hgz n GLU 543 N -1.36 2.54 -1.62 -1.58 1.02 -1.26 -5.06 120.64 113.31 3hgz n GLU 543 Ca 0.06 -3.70 -0.39 0.00 -0.02 0.00 0.00 57.16 53.11 3hgz n GLU 543 Cb 0.14 -1.83 0.04 0.00 -0.02 0.00 0.00 31.44 29.77 3hgz n GLU 543 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hgz n ALA 544 N -0.65 0.29 -2.39 0.62 0.00 -0.93 -5.04 120.51 112.41 3hgz n ALA 544 Ca 0.27 0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 3hgz n ALA 544 Cb 0.90 -2.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 3hgz n ALA 544 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hgz s THR 545 N -1.44 2.13 0.33 0.00 -4.23 -1.26 -5.04 115.64 106.13 3hgz s THR 545 Ca 0.72 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 3hgz s THR 545 Cb -0.45 -1.87 0.25 0.00 1.34 0.00 0.00 72.50 71.77 3hgz s THR 545 CO 0.50 0.19 1.98 -0.65 -0.54 0.00 0.00 174.62 176.10 3hgz h PRO 546 N 4.31 0.90 -5.97 3.99 0.11 -1.96 -3.45 132.00 129.93 3hgz h PRO 546 Ca -0.48 -0.07 -0.59 0.00 0.11 0.00 0.00 66.00 64.97 3hgz h PRO 546 Cb 1.16 -0.20 -0.11 0.00 0.11 0.00 0.00 31.00 31.97 3hgz h PRO 546 CO 0.41 0.62 -0.60 0.71 -0.21 0.00 0.00 178.00 178.93 3hgz s TYR 547 N -5.72 2.55 0.41 0.65 2.02 -1.26 -5.06 117.35 110.94 3hgz s TYR 547 Ca -0.10 -0.48 -0.26 0.00 -0.37 0.00 0.00 57.07 55.86 3hgz s TYR 547 Cb 0.17 -1.59 -0.09 0.00 -0.40 0.00 0.00 41.96 40.06 3hgz s TYR 547 CO 0.78 0.43 1.32 -2.14 -1.57 0.00 0.00 175.55 174.37 3hgz s PRO 548 N -3.74 3.93 0.01 -1.71 0.02 -1.26 -4.84 135.00 127.42 3hgz s PRO 548 Ca 0.36 2.20 0.03 0.00 0.02 0.00 0.00 61.00 63.62 3hgz s PRO 548 Cb 0.01 -2.75 -0.03 0.00 0.02 0.00 0.00 34.50 31.75 3hgz s PRO 548 CO 0.20 -0.54 -0.06 0.00 -0.33 0.00 0.00 177.00 176.26 3hgz s ALA 549 N -1.25 3.03 -0.69 -1.55 0.00 0.71 -4.82 121.76 117.19 3hgz s ALA 549 Ca 0.57 -1.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.23 3hgz s ALA 549 Cb -0.39 -1.12 0.04 0.00 0.00 0.00 0.00 23.12 21.64 3hgz s ALA 549 CO 0.50 0.62 1.21 -1.17 0.00 0.00 0.00 175.76 176.92 3hgz s LEU 550 N -1.50 3.42 0.00 0.00 2.96 -1.26 -0.24 118.68 122.06 3hgz s LEU 550 Ca 0.18 -0.41 0.20 0.00 -0.22 0.00 0.00 54.13 53.88 3hgz s LEU 550 Cb -0.11 -2.67 0.22 0.00 0.50 0.00 0.00 46.19 44.13 3hgz s LEU 550 CO 0.08 -1.69 1.19 2.30 -1.32 0.00 0.00 176.35 176.91 3hgz n ILE 551 N 6.37 0.17 -3.65 6.68 -5.35 -0.13 -4.88 119.36 118.56 3hgz n ILE 551 Ca 0.03 -0.58 -0.06 0.00 -0.27 0.00 0.00 62.75 61.87 3hgz n ILE 551 Cb 0.48 1.27 -0.06 0.00 -1.74 0.00 0.00 39.64 39.59 3hgz n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3hgz s LYS 552 N -1.56 0.65 -0.39 6.28 2.20 -1.21 -4.98 119.74 120.73 3hgz s LYS 552 Ca 0.26 1.26 0.10 0.00 -0.36 0.00 0.00 55.97 57.23 3hgz s LYS 552 Cb 0.18 0.33 0.30 0.00 -1.51 0.00 0.00 37.83 37.13 3hgz s LYS 552 CO 0.26 -0.17 0.69 -3.47 -0.36 0.00 0.00 175.35 172.30 3hgz n ASP 553 N 4.64 0.07 -4.66 1.43 -0.08 -1.25 -0.02 116.55 116.68 3hgz n ASP 553 Ca -0.18 -2.96 -0.23 0.00 -1.51 0.00 0.00 54.79 49.91 3hgz n ASP 553 Cb 0.56 -0.27 0.11 0.00 2.34 0.00 0.00 41.12 43.87 3hgz n ASP 553 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3hgz s THR 554 N -1.52 2.07 0.16 5.18 -4.23 -0.77 -4.99 115.64 111.53 3hgz s THR 554 Ca 0.36 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 3hgz s THR 554 Cb 0.27 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.69 3hgz s THR 554 CO -0.10 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 175.58 3hgz h ALA 555 N -0.54 0.70 -0.43 3.99 0.00 -1.99 -3.23 119.26 117.75 3hgz h ALA 555 Ca -0.35 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 3hgz h ALA 555 Cb 1.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3hgz h ALA 555 CO 0.38 0.53 -0.19 1.98 0.00 0.00 0.00 179.25 181.95 3hgz h MET 556 N 0.79 0.89 -2.75 0.00 1.85 -1.91 -3.42 114.93 110.38 3hgz h MET 556 Ca 0.14 -0.38 -0.12 0.00 -0.61 0.00 0.00 59.70 58.73 3hgz h MET 556 Cb 0.55 -0.03 -0.24 0.00 0.43 0.00 0.00 31.60 32.31 3hgz h MET 556 CO 0.03 1.03 -0.25 -1.54 -0.40 0.00 0.00 176.91 175.78 3hgz s SER 557 N -6.60 -0.43 -0.28 1.39 1.04 -1.22 -1.07 113.70 106.54 3hgz s SER 557 Ca -0.12 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.13 3hgz s SER 557 Cb 0.11 0.82 0.05 0.00 0.10 0.00 0.00 66.02 67.10 3hgz s SER 557 CO 0.85 -0.14 -0.05 -0.75 0.98 0.00 0.00 173.24 174.13 3hgz s LYS 558 N 0.30 2.38 -0.22 4.02 2.20 0.13 -1.85 119.74 126.70 3hgz s LYS 558 Ca -0.01 -1.28 -0.02 0.00 -0.36 0.00 0.00 55.97 54.30 3hgz s LYS 558 Cb -0.03 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 3hgz s LYS 558 CO -0.00 -0.58 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.15 3hgz s LEU 559 N 1.20 2.75 -0.10 5.43 2.96 0.97 -2.02 118.68 129.86 3hgz s LEU 559 Ca -0.06 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.20 3hgz s LEU 559 Cb -0.20 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 3hgz s LEU 559 CO -0.03 -0.03 0.23 0.26 -1.32 0.00 0.00 176.35 175.46 3hgz s TRP 560 N 1.40 3.60 0.00 5.38 0.52 0.03 -0.96 118.94 128.92 3hgz s TRP 560 Ca 0.05 0.64 0.01 0.00 0.02 0.00 0.00 56.10 56.81 3hgz s TRP 560 Cb -0.14 -2.11 -0.01 0.00 -1.15 0.00 0.00 33.47 30.06 3hgz s TRP 560 CO -0.06 0.60 -0.03 0.12 0.02 0.00 0.00 176.95 177.60 3hgz s PHE 561 N -0.70 0.27 -0.26 -1.98 5.36 0.67 -1.50 117.98 119.84 3hgz s PHE 561 Ca 0.17 -0.13 -0.08 0.00 -0.96 0.00 0.00 56.93 55.92 3hgz s PHE 561 Cb -0.13 -0.17 0.12 0.00 -0.34 0.00 0.00 43.02 42.50 3hgz s PHE 561 CO 0.06 -0.03 0.55 0.21 -1.46 0.00 0.00 175.22 174.55 3hgz s LYS 562 N -0.34 0.48 -0.00 10.12 2.36 -0.95 -0.21 119.74 131.19 3hgz s LYS 562 Ca -0.02 1.24 -0.30 0.00 -2.55 0.00 0.00 55.97 54.34 3hgz s LYS 562 Cb -0.03 0.60 -0.03 0.00 -1.05 0.00 0.00 37.83 37.32 3hgz s LYS 562 CO -0.00 -0.27 1.05 -1.14 1.55 0.00 0.00 175.35 176.54 3hgz s GLN 563 N 2.78 4.49 0.12 4.03 0.74 -1.26 -2.45 119.66 128.11 3hgz s GLN 563 Ca -0.02 1.52 -0.34 0.00 0.05 0.00 0.00 55.36 56.58 3hgz s GLN 563 Cb -0.12 -3.45 -0.13 0.00 1.10 0.00 0.00 33.01 30.40 3hgz s GLN 563 CO -0.17 -0.17 1.63 -3.47 -0.55 0.00 0.00 175.29 172.57 3hgz n ASP 564 N 4.16 3.19 -0.13 6.67 2.03 0.51 -4.84 116.55 128.13 3hgz n ASP 564 Ca 0.07 1.06 0.07 0.00 0.52 0.00 0.00 54.79 56.52 3hgz n ASP 564 Cb 0.49 -1.42 0.10 0.00 -0.72 0.00 0.00 41.12 39.56 3hgz n ASP 564 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3hgz n ASP 565 N 3.99 1.86 0.00 1.67 3.85 -1.26 -4.77 116.55 121.88 3hgz n ASP 565 Ca 0.18 -2.72 0.00 0.00 -0.71 0.00 0.00 54.79 51.54 3hgz n ASP 565 Cb 0.29 -0.33 0.00 0.00 -1.35 0.00 0.00 41.12 39.74 3hgz n ASP 565 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3hgz n LYS 566 N -1.05 1.13 -0.04 0.11 5.02 -1.26 -4.94 118.16 117.13 3hgz n LYS 566 Ca 0.11 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.37 3hgz n LYS 566 Cb 0.60 -0.85 -0.06 0.00 -0.02 0.00 0.00 35.03 34.70 3hgz n LYS 566 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hgz n PHE 567 N -1.93 0.00 -4.02 2.13 3.01 -1.26 -5.03 117.46 110.36 3hgz n PHE 567 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 3hgz n PHE 567 Cb 0.35 -0.37 -0.01 0.00 -0.01 0.00 0.00 39.48 39.43 3hgz n PHE 567 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3hgz n PHE 568 N -2.25 -1.78 -4.00 1.38 3.01 -1.26 -4.99 117.46 107.57 3hgz n PHE 568 Ca -0.12 0.79 -0.29 0.00 1.01 0.00 0.00 57.45 58.85 3hgz n PHE 568 Cb 0.71 -3.55 -0.05 0.00 -0.01 0.00 0.00 39.48 36.58 3hgz n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3hgz s LEU 569 N -7.10 4.06 -1.54 4.37 1.43 -1.26 -4.93 118.68 113.70 3hgz s LEU 569 Ca 0.34 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 3hgz s LEU 569 Cb -0.18 -2.68 -0.08 0.00 0.03 0.00 0.00 46.19 43.28 3hgz s LEU 569 CO 0.89 0.12 2.84 -0.81 0.23 0.00 0.00 176.35 179.63 3hgz n PRO 570 N 0.00 3.49 -3.89 1.29 -0.04 -1.26 -4.59 135.00 130.01 3hgz n PRO 570 Ca -0.07 -2.13 -0.11 0.00 -0.04 0.00 0.00 63.50 61.15 3hgz n PRO 570 Cb 0.53 -2.78 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 3hgz n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3hgz s LYS 571 N 2.35 0.45 0.03 0.54 1.02 -1.26 -1.58 119.74 121.29 3hgz s LYS 571 Ca 0.66 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.23 3hgz s LYS 571 Cb 0.17 0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.64 3hgz s LYS 571 CO -0.06 -0.10 -0.05 0.00 -0.92 0.00 0.00 175.35 174.22 3hgz s ALA 572 N -1.38 0.34 -0.21 5.17 0.00 0.53 -1.59 121.76 124.63 3hgz s ALA 572 Ca -0.15 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 3hgz s ALA 572 Cb -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3hgz s ALA 572 CO 0.01 -0.07 -0.01 -0.80 0.00 0.00 0.00 175.76 174.89 3hgz s ASN 573 N -1.33 4.63 -0.32 0.00 0.02 0.17 -2.16 114.94 115.96 3hgz s ASN 573 Ca -0.11 -0.27 -0.00 0.00 -1.02 0.00 0.00 52.86 51.45 3hgz s ASN 573 Cb -0.09 -1.79 0.07 0.00 0.02 0.00 0.00 41.25 39.46 3hgz s ASN 573 CO -0.00 0.03 0.03 -0.76 0.02 0.00 0.00 177.10 176.41 3hgz s LEU 574 N 1.20 4.22 -0.06 0.60 1.43 0.11 -1.18 118.68 124.99 3hgz s LEU 574 Ca 0.03 -1.59 0.04 0.00 -1.03 0.00 0.00 54.13 51.57 3hgz s LEU 574 Cb -0.15 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3hgz s LEU 574 CO 0.00 -0.32 -0.16 0.20 0.23 0.00 0.00 176.35 176.30 3hgz s ASN 575 N 1.28 3.81 -0.09 2.29 0.02 0.29 -1.22 114.94 121.31 3hgz s ASN 575 Ca -0.01 -0.29 -0.03 0.00 -1.02 0.00 0.00 52.86 51.51 3hgz s ASN 575 Cb -0.20 -0.96 0.04 0.00 0.02 0.00 0.00 41.25 40.15 3hgz s ASN 575 CO -0.04 0.29 0.07 -0.36 0.02 0.00 0.00 177.10 177.08 3hgz s PHE 576 N -0.42 0.17 -0.16 2.20 0.40 -0.13 -0.46 117.98 119.58 3hgz s PHE 576 Ca 0.05 0.00 -0.19 0.00 -0.60 0.00 0.00 56.93 56.19 3hgz s PHE 576 Cb -0.12 -0.59 -0.03 0.00 0.51 0.00 0.00 43.02 42.79 3hgz s PHE 576 CO 0.02 -0.32 0.53 -1.21 0.70 0.00 0.00 175.22 174.94 3hgz s GLU 577 N 2.14 4.27 -0.28 0.44 0.41 0.13 -1.03 118.70 124.78 3hgz s GLU 577 Ca 0.04 0.49 -0.09 0.00 -0.41 0.00 0.00 54.97 55.00 3hgz s GLU 577 Cb -0.14 -3.51 -0.03 0.00 -1.78 0.00 0.00 34.13 28.67 3hgz s GLU 577 CO -0.05 -0.04 0.14 -0.06 -0.49 0.00 0.00 175.26 174.76 3hgz s PHE 578 N 1.25 3.16 -0.13 1.61 0.40 0.89 -1.13 117.98 124.03 3hgz s PHE 578 Ca 0.26 -0.22 -0.19 0.00 -0.60 0.00 0.00 56.93 56.19 3hgz s PHE 578 Cb -0.16 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 3hgz s PHE 578 CO 0.11 -0.29 0.50 -0.06 0.70 0.00 0.00 175.22 176.17 3hgz s PHE 579 N 1.68 3.49 -0.07 0.36 0.40 0.12 -1.21 117.98 122.75 3hgz s PHE 579 Ca 0.06 0.90 -0.07 0.00 -0.60 0.00 0.00 56.93 57.22 3hgz s PHE 579 Cb -0.16 -2.59 0.02 0.00 0.51 0.00 0.00 43.02 40.80 3hgz s PHE 579 CO 0.07 0.11 0.19 0.45 0.70 0.00 0.00 175.22 176.75 3hgz s SER 580 N 0.73 -0.20 0.58 1.36 0.15 -0.33 -2.68 113.70 113.32 3hgz s SER 580 Ca 0.27 0.39 0.28 0.00 0.70 0.00 0.00 55.95 57.58 3hgz s SER 580 Cb -0.15 0.39 1.72 0.00 -1.71 0.00 0.00 66.02 66.26 3hgz s SER 580 CO 0.11 -0.07 2.22 1.55 1.20 0.00 0.00 173.24 178.24 3hgz h PRO 581 N 5.91 0.00 0.00 5.44 0.13 -1.89 -3.10 132.00 138.49 3hgz h PRO 581 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hgz h PRO 581 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hgz h PRO 581 CO 0.39 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.35 3hgz n PHE 582 N -3.94 0.00 0.08 1.56 3.01 -1.26 -2.71 117.46 114.20 3hgz n PHE 582 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.35 3hgz n PHE 582 Cb 0.12 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.50 3hgz n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hgz h ALA 583 N 3.89 0.44 0.00 4.37 0.00 -1.85 -3.39 119.26 122.71 3hgz h ALA 583 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3hgz h ALA 583 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hgz h ALA 583 CO 0.00 1.04 -0.32 0.98 0.00 0.00 0.00 179.25 180.94 3hgz n TYR 584 N -3.54 0.00 0.01 0.00 4.19 -1.21 -3.12 117.16 113.50 3hgz n TYR 584 Ca -0.03 -0.06 0.04 0.00 3.31 0.00 0.00 57.90 61.15 3hgz n TYR 584 Cb 0.87 -0.04 0.42 0.00 0.49 0.00 0.00 39.34 41.08 3hgz n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 3hgz h VAL 585 N 5.35 1.12 -3.60 2.97 3.04 -1.71 -3.44 116.25 119.98 3hgz h VAL 585 Ca 0.00 -0.28 -0.06 0.00 -1.01 0.00 0.00 66.70 65.35 3hgz h VAL 585 Cb 1.25 0.60 -0.11 0.00 -2.01 0.00 0.00 31.29 31.01 3hgz h VAL 585 CO 0.00 0.12 -0.14 1.51 -1.01 0.00 0.00 177.57 178.05 3hgz s ASP 586 N -6.71 -0.11 0.29 3.17 -4.77 -1.26 -5.04 116.67 102.25 3hgz s ASP 586 Ca -0.08 -0.70 0.05 0.00 -3.30 0.00 0.00 52.55 48.52 3hgz s ASP 586 Cb 0.17 0.51 0.73 0.00 -1.09 0.00 0.00 42.92 43.25 3hgz s ASP 586 CO 0.73 -0.99 1.73 -0.65 0.70 0.00 0.00 175.17 176.69 3hgz h PRO 587 N 2.36 0.52 -0.96 2.11 0.11 -1.93 -0.87 132.00 133.35 3hgz h PRO 587 Ca -0.30 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.84 3hgz h PRO 587 Cb 1.24 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3hgz h PRO 587 CO 0.42 0.35 0.62 1.25 -0.21 0.00 0.00 178.00 180.43 3hgz h LEU 588 N 0.54 0.99 -0.20 2.35 5.85 -1.92 -1.03 115.31 121.88 3hgz h LEU 588 Ca 0.57 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 59.08 3hgz h LEU 588 Cb 1.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3hgz h LEU 588 CO -0.46 0.64 -0.93 0.45 -0.34 0.00 0.00 178.44 177.80 3hgz h HIS 589 N 1.13 0.25 0.11 1.25 3.86 -1.51 -2.16 115.15 118.07 3hgz h HIS 589 Ca 0.41 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3hgz h HIS 589 Cb 0.15 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3hgz h HIS 589 CO -0.00 1.00 -0.07 1.03 0.86 0.00 0.00 177.93 180.75 3hgz h SER 590 N 0.08 -0.18 -0.84 2.45 0.87 -0.83 0.64 113.55 115.74 3hgz h SER 590 Ca -0.05 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.69 3hgz h SER 590 Cb 1.59 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 63.55 3hgz h SER 590 CO 0.14 -0.12 0.55 0.78 -0.53 0.00 0.00 176.83 177.65 3hgz h ASN 591 N -0.18 0.49 0.15 6.23 2.35 -1.08 -1.11 115.58 122.43 3hgz h ASN 591 Ca -0.01 0.03 -0.20 0.00 -0.55 0.00 0.00 56.30 55.57 3hgz h ASN 591 Cb 0.16 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 38.49 3hgz h ASN 591 CO 0.00 0.24 -0.90 0.24 -1.65 0.00 0.00 177.43 175.36 3hgz h MET 592 N 0.51 0.33 -0.32 0.81 2.86 -0.69 -1.22 114.93 117.20 3hgz h MET 592 Ca 0.42 -0.56 0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3hgz h MET 592 Cb 0.88 0.21 -0.08 0.00 0.06 0.00 0.00 31.60 32.66 3hgz h MET 592 CO -0.16 1.27 -0.31 0.00 1.06 0.00 0.00 176.91 178.77 3hgz h ALA 593 N 0.09 -0.20 0.26 6.32 0.00 -0.62 0.69 119.26 125.78 3hgz h ALA 593 Ca -0.16 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hgz h ALA 593 Cb 1.71 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 20.12 3hgz h ALA 593 CO 0.17 -0.72 -0.31 -0.92 0.00 0.00 0.00 179.25 177.46 3hgz h TYR 594 N -0.28 -0.83 -0.91 0.00 3.20 -1.19 -2.54 116.97 114.43 3hgz h TYR 594 Ca 0.15 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.14 3hgz h TYR 594 Cb 0.52 0.33 -0.08 0.00 1.54 0.00 0.00 36.73 39.05 3hgz h TYR 594 CO -0.49 -0.43 0.55 -0.07 -1.64 0.00 0.00 178.16 176.08 3hgz h LEU 595 N -0.61 0.79 0.88 2.82 -0.00 -0.87 -1.58 115.31 116.73 3hgz h LEU 595 Ca -0.00 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 3hgz h LEU 595 Cb 0.58 -0.11 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 3hgz h LEU 595 CO -0.09 0.43 -0.42 0.22 -0.00 0.00 0.00 178.44 178.57 3hgz h TYR 596 N 0.88 -1.09 -0.62 1.13 3.20 -0.58 -1.07 116.97 118.81 3hgz h TYR 596 Ca 0.45 -0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.47 3hgz h TYR 596 Cb 0.43 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 3hgz h TYR 596 CO -0.04 -0.68 0.45 -0.07 -1.64 0.00 0.00 178.16 176.18 3hgz h LEU 597 N -1.22 0.02 -0.25 2.82 4.07 -1.25 0.49 115.31 119.99 3hgz h LEU 597 Ca -0.12 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.63 3hgz h LEU 597 Cb 0.91 -0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.65 3hgz h LEU 597 CO 0.20 0.01 -0.72 -0.33 -1.08 0.00 0.00 178.44 176.52 3hgz h GLU 598 N 0.02 0.73 0.01 1.13 4.39 -0.83 -2.44 114.58 117.59 3hgz h GLU 598 Ca 0.30 -0.56 -0.21 0.00 0.34 0.00 0.00 59.36 59.23 3hgz h GLU 598 Cb 1.16 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3hgz h GLU 598 CO -0.01 1.18 -0.91 -0.07 -1.16 0.00 0.00 179.01 178.04 3hgz h LEU 599 N 0.51 0.29 0.13 1.33 3.38 0.10 0.10 115.31 121.15 3hgz h LEU 599 Ca -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hgz h LEU 599 Cb 1.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3hgz h LEU 599 CO 0.14 1.05 -0.12 0.25 0.09 0.00 0.00 178.44 179.86 3hgz h LEU 600 N 0.12 -0.31 -0.47 1.67 7.12 -0.98 -0.45 115.31 122.01 3hgz h LEU 600 Ca -0.05 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 3hgz h LEU 600 Cb 1.55 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.76 3hgz h LEU 600 CO 0.14 -0.19 0.23 0.11 -0.13 0.00 0.00 178.44 178.61 3hgz h LYS 601 N -0.27 0.66 -0.82 1.25 1.57 -1.34 0.00 116.57 117.63 3hgz h LYS 601 Ca 0.00 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3hgz h LYS 601 Cb 0.25 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 3hgz h LYS 601 CO -0.03 0.55 0.50 0.22 -0.57 0.00 0.00 179.45 180.12 3hgz h ASP 602 N 0.61 0.76 1.09 0.86 1.82 -0.47 -0.60 116.42 120.49 3hgz h ASP 602 Ca 0.16 0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 56.66 3hgz h ASP 602 Cb 0.10 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 3hgz h ASP 602 CO -0.02 0.48 -0.95 0.77 -1.61 0.00 0.00 179.24 177.90 3hgz h SER 603 N 0.89 0.00 0.84 2.28 4.64 -0.77 -3.10 113.55 118.34 3hgz h SER 603 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hgz h SER 603 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3hgz h SER 603 CO -0.19 0.72 0.00 0.18 -0.87 0.00 0.00 176.83 176.67 3hgz n LEU 604 N -3.18 0.35 -0.04 5.97 4.77 -0.04 -4.37 117.00 120.47 3hgz n LEU 604 Ca -0.03 0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 56.43 3hgz n LEU 604 Cb 0.85 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3hgz n LEU 604 CO 0.43 -0.28 0.90 -1.13 -1.33 0.00 0.00 177.39 175.98 3hgz h ASN 605 N 0.00 0.06 -0.95 -1.43 -0.00 -1.05 -1.72 115.58 110.48 3hgz h ASN 605 Ca 0.00 0.02 0.10 0.00 -0.00 0.00 0.00 56.30 56.42 3hgz h ASN 605 Cb 0.42 0.02 -0.07 0.00 -0.00 0.00 0.00 38.32 38.69 3hgz h ASN 605 CO 0.00 0.06 0.61 -0.33 -0.00 0.00 0.00 177.43 177.77 3hgz h GLU 606 N 0.15 0.95 -0.05 6.67 5.08 -1.76 -1.15 114.58 124.46 3hgz h GLU 606 Ca 0.08 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 3hgz h GLU 606 Cb 0.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3hgz h GLU 606 CO -0.09 0.63 -0.74 -0.92 -1.00 0.00 0.00 179.01 176.88 3hgz h TYR 607 N 0.98 0.43 -0.00 4.33 3.20 -1.71 -3.34 116.97 120.85 3hgz h TYR 607 Ca 0.45 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hgz h TYR 607 Cb 0.40 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3hgz h TYR 607 CO -0.00 0.94 -0.72 0.00 -1.64 0.00 0.00 178.16 176.74 3hgz n ALA 608 N -2.49 4.11 0.18 1.82 0.00 -0.69 -4.11 120.51 119.33 3hgz n ALA 608 Ca -0.04 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.70 3hgz n ALA 608 Cb 0.71 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 3hgz n ALA 608 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3hgz h TYR 609 N 0.76 -0.40 -0.72 0.00 3.20 -1.35 -1.83 116.97 116.64 3hgz h TYR 609 Ca 0.00 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.00 3hgz h TYR 609 Cb 0.57 0.13 -0.14 0.00 1.54 0.00 0.00 36.73 38.84 3hgz h TYR 609 CO 0.00 -0.14 -0.22 0.00 -1.64 0.00 0.00 178.16 176.16 3hgz h ALA 610 N 0.01 0.37 -0.52 1.82 0.00 -1.77 1.00 119.26 120.18 3hgz h ALA 610 Ca -0.04 0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3hgz h ALA 610 Cb 0.44 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3hgz h ALA 610 CO 0.07 -0.47 0.35 0.00 0.00 0.00 0.00 179.25 179.20 3hgz h ALA 611 N 1.58 1.93 0.05 0.00 0.00 -1.62 -1.52 119.26 119.67 3hgz h ALA 611 Ca 0.33 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.98 3hgz h ALA 611 Cb 0.55 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hgz h ALA 611 CO -0.76 -0.03 -0.99 1.49 0.00 0.00 0.00 179.25 178.97 3hgz h GLU 612 N 0.43 0.59 -0.74 0.00 4.81 -0.01 -0.79 114.58 118.87 3hgz h GLU 612 Ca 0.23 -0.69 0.22 0.00 -0.13 0.00 0.00 59.36 58.98 3hgz h GLU 612 Cb 0.35 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3hgz h GLU 612 CO -0.06 1.29 0.56 -0.07 -0.73 0.00 0.00 179.01 180.00 3hgz h LEU 613 N 0.19 0.00 -2.01 1.64 3.38 -0.46 0.12 115.31 118.17 3hgz h LEU 613 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hgz h LEU 613 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3hgz h LEU 613 CO 0.19 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3hgz n ALA 614 N -2.64 2.61 -1.73 1.53 0.00 -0.65 -4.92 120.51 114.71 3hgz n ALA 614 Ca 0.15 -0.95 -0.02 0.00 0.00 0.00 0.00 53.44 52.61 3hgz n ALA 614 Cb 0.84 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 19.30 3hgz n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgz n GLY 615 N 1.14 0.36 2.95 0.00 0.00 0.41 -4.58 105.19 105.46 3hgz n GLY 615 Ca 0.17 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3hgz n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hgz s LEU 616 N -0.55 2.20 0.16 0.99 0.20 -0.37 -2.36 118.68 118.96 3hgz s LEU 616 Ca 0.00 -0.93 0.05 0.00 0.69 0.00 0.00 54.13 53.94 3hgz s LEU 616 Cb 0.00 -1.13 -0.05 0.00 -0.43 0.00 0.00 46.19 44.59 3hgz s LEU 616 CO 0.00 -0.19 -0.09 -0.94 -0.29 0.00 0.00 176.35 174.84 3hgz s SER 617 N 1.46 1.86 0.13 3.68 1.04 -0.17 -2.76 113.70 118.94 3hgz s SER 617 Ca -0.02 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 55.40 3hgz s SER 617 Cb -0.17 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 3hgz s SER 617 CO -0.07 -0.35 -0.09 -0.72 0.98 0.00 0.00 173.24 172.99 3hgz s TYR 618 N -3.31 1.18 -0.05 5.02 -0.85 -1.26 -1.24 117.35 116.83 3hgz s TYR 618 Ca 0.19 -0.78 0.02 0.00 -0.52 0.00 0.00 57.07 55.97 3hgz s TYR 618 Cb 0.03 -0.61 0.02 0.00 0.38 0.00 0.00 41.96 41.77 3hgz s TYR 618 CO 0.02 0.03 -0.08 0.34 -1.52 0.00 0.00 175.55 174.35 3hgz s ASP 619 N -3.09 1.24 -0.11 -0.18 -1.08 0.64 -4.98 116.67 109.11 3hgz s ASP 619 Ca 0.15 -0.19 -0.04 0.00 -0.52 0.00 0.00 52.55 51.95 3hgz s ASP 619 Cb 0.03 -0.57 0.06 0.00 -1.46 0.00 0.00 42.92 40.97 3hgz s ASP 619 CO -0.01 -0.01 0.15 -0.22 0.52 0.00 0.00 175.17 175.61 3hgz s LEU 620 N 0.75 -0.01 -0.02 -1.34 2.96 -1.26 -0.34 118.68 119.42 3hgz s LEU 620 Ca -0.12 0.08 -0.22 0.00 -0.22 0.00 0.00 54.13 53.65 3hgz s LEU 620 Cb -0.14 0.19 0.04 0.00 0.50 0.00 0.00 46.19 46.78 3hgz s LEU 620 CO 0.02 -0.28 0.47 0.00 -1.32 0.00 0.00 176.35 175.24 3hgz s GLN 621 N 2.27 0.85 0.30 1.98 -2.07 -0.27 -4.94 119.66 117.79 3hgz s GLN 621 Ca 0.04 -0.02 -0.29 0.00 -1.82 0.00 0.00 55.36 53.27 3hgz s GLN 621 Cb -0.13 0.39 -0.10 0.00 -1.09 0.00 0.00 33.01 32.08 3hgz s GLN 621 CO -0.07 -0.26 1.23 0.54 -1.32 0.00 0.00 175.29 175.41 3hgz s ASN 622 N -1.33 6.96 0.49 12.60 6.03 -1.26 -0.37 114.94 138.06 3hgz s ASN 622 Ca -0.12 2.52 0.02 0.00 -1.03 0.00 0.00 52.86 54.25 3hgz s ASN 622 Cb -0.03 -2.64 -0.02 0.00 -3.03 0.00 0.00 41.25 35.53 3hgz s ASN 622 CO 0.06 -0.39 0.01 0.42 -2.03 0.00 0.00 177.10 175.17 3hgz s THR 623 N -1.08 1.24 -0.44 0.54 -4.23 0.49 -4.87 115.64 107.29 3hgz s THR 623 Ca 0.48 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.25 3hgz s THR 623 Cb -0.37 -2.29 0.29 0.00 1.34 0.00 0.00 72.50 71.47 3hgz s THR 623 CO 0.48 0.00 1.77 0.16 -0.54 0.00 0.00 174.62 176.48 3hgz h ILE 624 N 1.44 0.00 -0.01 2.99 3.07 -1.97 -3.11 117.51 119.92 3hgz h ILE 624 Ca -0.43 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 65.59 3hgz h ILE 624 Cb 1.30 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 39.10 3hgz h ILE 624 CO 0.74 0.00 -0.32 -1.22 -1.05 0.00 0.00 178.15 176.30 3hgz n TYR 625 N -2.44 0.00 0.00 0.16 0.53 -1.26 -4.45 117.16 109.70 3hgz n TYR 625 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.91 3hgz n TYR 625 Cb 0.31 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.62 3hgz n TYR 625 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hgz n GLY 626 N 1.09 0.65 3.81 2.72 0.00 -1.18 -1.19 105.19 111.09 3hgz n GLY 626 Ca 0.06 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 3hgz n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hgz s MET 627 N -2.00 3.09 -0.15 1.61 -1.94 -0.35 0.19 119.30 119.75 3hgz s MET 627 Ca 0.00 -0.52 -0.02 0.00 -1.71 0.00 0.00 55.69 53.44 3hgz s MET 627 Cb 0.00 -2.86 -0.02 0.00 2.01 0.00 0.00 34.83 33.96 3hgz s MET 627 CO 0.00 0.62 -0.09 -0.47 -0.01 0.00 0.00 175.02 175.07 3hgz s TYR 628 N -1.29 2.90 -0.02 -0.03 5.04 0.51 -0.08 117.35 124.38 3hgz s TYR 628 Ca 0.26 -0.58 0.05 0.00 -2.44 0.00 0.00 57.07 54.36 3hgz s TYR 628 Cb -0.12 -1.92 -0.01 0.00 0.35 0.00 0.00 41.96 40.26 3hgz s TYR 628 CO 0.18 -0.21 -0.17 -1.17 -1.34 0.00 0.00 175.55 172.85 3hgz s LEU 629 N 0.52 2.02 -0.07 6.97 0.20 -0.20 -1.12 118.68 127.00 3hgz s LEU 629 Ca -0.06 -0.31 -0.03 0.00 0.69 0.00 0.00 54.13 54.42 3hgz s LEU 629 Cb -0.15 -0.87 0.04 0.00 -0.43 0.00 0.00 46.19 44.78 3hgz s LEU 629 CO 0.03 0.20 0.15 -0.55 -0.29 0.00 0.00 176.35 175.90 3hgz s SER 630 N -0.34 -0.04 -0.18 3.68 0.15 0.54 -0.95 113.70 116.55 3hgz s SER 630 Ca 0.05 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.02 3hgz s SER 630 Cb -0.07 0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 3hgz s SER 630 CO -0.00 -0.16 -0.17 -0.69 1.20 0.00 0.00 173.24 173.42 3hgz s VAL 631 N 1.28 2.33 0.10 4.45 1.01 -0.36 -0.26 120.40 128.96 3hgz s VAL 631 Ca -0.08 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.14 3hgz s VAL 631 Cb -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3hgz s VAL 631 CO -0.06 0.52 -0.25 -0.54 0.00 0.00 0.00 175.10 174.77 3hgz s LYS 632 N 1.27 1.39 0.00 2.72 1.02 -0.38 0.04 119.74 125.81 3hgz s LYS 632 Ca 0.04 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.80 3hgz s LYS 632 Cb -0.14 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 3hgz s LYS 632 CO -0.10 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 3hgz n GLY 633 N 1.17 0.70 3.65 -3.33 0.00 -0.92 -1.00 105.19 105.47 3hgz n GLY 633 Ca -0.18 -2.13 -0.49 0.00 0.00 0.00 0.00 46.02 43.21 3hgz n GLY 633 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hgz n TYR 634 N 3.34 1.99 0.23 1.61 4.01 -1.00 -0.34 117.16 127.00 3hgz n TYR 634 Ca 0.00 0.39 0.12 0.00 -0.16 0.00 0.00 57.90 58.25 3hgz n TYR 634 Cb 0.00 -2.47 0.46 0.00 -0.31 0.00 0.00 39.34 37.02 3hgz n TYR 634 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 3hgz h ASN 635 N 5.94 0.00 -0.74 7.72 -1.07 -1.58 -3.35 115.58 122.49 3hgz h ASN 635 Ca -0.46 0.00 0.17 0.00 0.07 0.00 0.00 56.30 56.07 3hgz h ASN 635 Cb 1.29 0.00 -0.12 0.00 -2.07 0.00 0.00 38.32 37.42 3hgz h ASN 635 CO 0.86 0.15 0.10 -0.78 0.07 0.00 0.00 177.43 177.83 3hgz h ASP 636 N 0.00 -0.16 -0.29 6.14 -0.00 -1.80 -2.54 116.42 117.77 3hgz h ASP 636 Ca -0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 3hgz h ASP 636 Cb 0.75 0.27 0.00 0.00 -0.00 0.00 0.00 39.33 40.35 3hgz h ASP 636 CO 0.02 -0.12 0.00 0.29 -0.00 0.00 0.00 179.24 179.44 3hgz n LYS 637 N -5.25 2.89 -0.11 0.28 5.02 -1.26 -4.69 118.16 115.03 3hgz n LYS 637 Ca 0.14 -1.96 -0.05 0.00 -2.02 0.00 0.00 58.31 54.42 3hgz n LYS 637 Cb 0.48 -1.23 0.02 0.00 -0.02 0.00 0.00 35.03 34.28 3hgz n LYS 637 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3hgz h GLN 638 N 1.71 0.18 -0.85 1.97 4.20 -1.60 -0.93 115.11 119.78 3hgz h GLN 638 Ca 0.00 -0.01 0.21 0.00 0.06 0.00 0.00 58.65 58.91 3hgz h GLN 638 Cb 0.69 -0.04 -0.13 0.00 0.30 0.00 0.00 27.48 28.31 3hgz h GLN 638 CO 0.00 0.12 0.28 -1.35 -0.67 0.00 0.00 178.83 177.21 3hgz h PRO 639 N 0.18 0.28 0.05 1.46 0.11 -1.84 -0.06 132.00 132.18 3hgz h PRO 639 Ca 0.18 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3hgz h PRO 639 Cb 0.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3hgz h PRO 639 CO -0.25 0.19 -0.02 0.82 -0.21 0.00 0.00 178.00 178.53 3hgz h ILE 640 N 0.29 1.14 -0.19 4.15 2.04 -1.52 -1.20 117.51 122.22 3hgz h ILE 640 Ca 0.52 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3hgz h ILE 640 Cb 1.00 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 3hgz h ILE 640 CO -0.58 0.15 -0.02 0.25 0.00 0.00 0.00 178.15 177.96 3hgz h LEU 641 N -0.33 0.34 -0.27 1.44 5.85 -1.16 -1.68 115.31 119.50 3hgz h LEU 641 Ca -0.01 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3hgz h LEU 641 Cb 0.30 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 3hgz h LEU 641 CO 0.01 0.59 -0.49 0.25 -0.34 0.00 0.00 178.44 178.47 3hgz h LEU 642 N 0.08 -1.58 -0.83 2.25 6.46 -1.03 -1.10 115.31 119.56 3hgz h LEU 642 Ca 0.05 0.21 0.08 0.00 -0.12 0.00 0.00 57.88 58.10 3hgz h LEU 642 Cb 0.43 0.65 -0.07 0.00 -0.73 0.00 0.00 40.66 40.94 3hgz h LEU 642 CO 0.01 -0.42 0.48 0.50 -0.62 0.00 0.00 178.44 178.39 3hgz h LYS 643 N -0.46 0.81 -0.69 1.25 3.64 -1.02 -0.88 116.57 119.23 3hgz h LYS 643 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hgz h LYS 643 Cb 0.63 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3hgz h LYS 643 CO -0.50 0.54 0.45 -0.22 -2.27 0.00 0.00 179.45 177.44 3hgz h LYS 644 N 0.84 0.91 0.31 1.90 1.63 -0.53 -0.73 116.57 120.90 3hgz h LYS 644 Ca 0.39 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.12 3hgz h LYS 644 Cb 0.30 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 3hgz h LYS 644 CO -0.22 0.61 -0.18 0.82 -3.45 0.00 0.00 179.45 177.02 3hgz h ILE 645 N 0.93 0.62 -0.63 2.00 2.04 0.05 0.57 117.51 123.08 3hgz h ILE 645 Ca 0.25 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 3hgz h ILE 645 Cb -0.09 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3hgz h ILE 645 CO -0.05 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.83 3hgz h ILE 646 N -0.47 1.21 -0.75 -0.67 1.08 -1.26 0.16 117.51 116.81 3hgz h ILE 646 Ca -0.03 -0.55 0.08 0.00 -0.39 0.00 0.00 64.86 63.97 3hgz h ILE 646 Cb 0.38 0.41 -0.07 0.00 -3.07 0.00 0.00 36.82 34.48 3hgz h ILE 646 CO 0.04 0.23 0.42 -0.33 -0.69 0.00 0.00 178.15 177.82 3hgz h GLU 647 N 0.87 0.71 -0.13 2.37 5.08 -0.95 -1.31 114.58 121.20 3hgz h GLU 647 Ca 0.22 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 3hgz h GLU 647 Cb 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3hgz h GLU 647 CO -0.03 0.47 -0.60 -0.22 -1.00 0.00 0.00 179.01 177.62 3hgz h LYS 648 N 0.73 0.45 0.11 2.33 3.64 0.25 -2.36 116.57 121.71 3hgz h LYS 648 Ca 0.35 -0.31 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3hgz h LYS 648 Cb 0.29 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3hgz h LYS 648 CO -0.22 0.92 -0.13 0.52 -2.27 0.00 0.00 179.45 178.26 3hgz h MET 649 N 0.33 -0.27 0.00 1.90 2.86 -0.28 -1.48 114.93 117.99 3hgz h MET 649 Ca -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hgz h MET 649 Cb 1.14 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3hgz h MET 649 CO 0.11 -0.18 0.00 0.00 1.06 0.00 0.00 176.91 177.90 3hgz h ALA 650 N 0.58 1.00 0.00 6.32 0.00 -1.16 -3.12 119.26 122.88 3hgz h ALA 650 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hgz h ALA 650 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3hgz h ALA 650 CO -0.06 0.00 -0.34 0.25 0.00 0.00 0.00 179.25 179.10 3hgz n THR 651 N -2.45 1.24 -2.16 0.00 -2.24 -0.90 -4.49 114.28 103.28 3hgz n THR 651 Ca 0.04 -1.70 -0.42 0.00 -2.27 0.00 0.00 64.05 59.69 3hgz n THR 651 Cb 0.38 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 3hgz n THR 651 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3hgz s PHE 652 N -1.86 2.71 -0.13 4.78 5.36 -0.56 -4.98 117.98 123.30 3hgz s PHE 652 Ca 0.25 0.68 0.03 0.00 -0.96 0.00 0.00 56.93 56.93 3hgz s PHE 652 Cb 0.23 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.18 3hgz s PHE 652 CO -0.02 -2.80 -0.22 -1.83 -1.46 0.00 0.00 175.22 168.89 3hgz s GLU 653 N 2.60 3.06 0.45 10.12 -1.05 -1.26 -5.08 118.70 127.53 3hgz s GLU 653 Ca 0.66 -0.85 -0.21 0.00 -0.15 0.00 0.00 54.97 54.42 3hgz s GLU 653 Cb -0.33 -2.41 -0.09 0.00 -0.44 0.00 0.00 34.13 30.86 3hgz s GLU 653 CO 0.27 0.07 1.01 0.42 0.95 0.00 0.00 175.26 177.98 3hgz s ILE 654 N 0.62 3.99 -0.25 1.83 1.09 -1.26 -5.05 121.20 122.17 3hgz s ILE 654 Ca -0.11 1.30 -0.14 0.00 -1.10 0.00 0.00 60.65 60.60 3hgz s ILE 654 Cb -0.16 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 3hgz s ILE 654 CO 0.03 -0.20 0.31 -0.62 -0.10 0.00 0.00 174.94 174.35 3hgz s ASP 655 N -1.95 6.22 0.04 3.58 3.68 -1.26 -5.01 116.67 121.96 3hgz s ASP 655 Ca 0.63 0.24 -0.08 0.00 2.13 0.00 0.00 52.55 55.47 3hgz s ASP 655 Cb -0.15 -2.18 -0.02 0.00 -1.45 0.00 0.00 42.92 39.12 3hgz s ASP 655 CO 0.19 -0.10 1.14 -0.08 0.13 0.00 0.00 175.17 176.45 3hgz h GLU 656 N 7.96 -0.02 -0.59 4.34 4.57 -1.99 -0.86 114.58 127.98 3hgz h GLU 656 Ca -0.34 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 57.96 3hgz h GLU 656 Cb 1.17 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.67 3hgz h GLU 656 CO 0.64 -0.01 0.04 -0.22 -1.18 0.00 0.00 179.01 178.28 3hgz h LYS 657 N -0.02 0.16 -0.25 1.92 1.63 -2.00 -1.41 116.57 116.59 3hgz h LYS 657 Ca 0.04 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.89 3hgz h LYS 657 Cb 0.12 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.65 3hgz h LYS 657 CO -0.22 0.10 -0.15 0.00 -3.45 0.00 0.00 179.45 175.73 3hgz h ARG 658 N 0.16 -0.13 -0.84 1.90 2.47 -1.85 -2.57 114.38 113.52 3hgz h ARG 658 Ca 0.31 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 59.08 3hgz h ARG 658 Cb 0.49 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.78 3hgz h ARG 658 CO -0.47 -0.09 0.53 0.35 0.56 0.00 0.00 179.97 180.86 3hgz h PHE 659 N -0.13 0.99 -0.47 3.04 3.57 -0.15 -0.15 116.94 123.64 3hgz h PHE 659 Ca 0.14 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 3hgz h PHE 659 Cb 0.34 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3hgz h PHE 659 CO -0.33 0.55 0.00 0.93 -2.23 0.00 0.00 178.31 177.23 3hgz h GLU 660 N 1.01 0.77 0.06 1.11 4.39 -1.07 -2.05 114.58 118.80 3hgz h GLU 660 Ca 0.35 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 3hgz h GLU 660 Cb 0.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3hgz h GLU 660 CO -0.14 0.78 -0.03 0.82 -1.16 0.00 0.00 179.01 179.29 3hgz h ILE 661 N 0.72 1.22 -0.59 3.13 1.08 -0.92 -2.58 117.51 119.58 3hgz h ILE 661 Ca 0.14 -0.98 -0.05 0.00 -0.39 0.00 0.00 64.86 63.58 3hgz h ILE 661 Cb 0.44 1.86 -0.02 0.00 -3.07 0.00 0.00 36.82 36.02 3hgz h ILE 661 CO 0.02 0.24 0.18 0.40 -0.69 0.00 0.00 178.15 178.30 3hgz h ILE 662 N -0.52 1.24 -0.56 -0.67 1.08 -1.05 -1.32 117.51 115.72 3hgz h ILE 662 Ca -0.01 -0.84 0.04 0.00 -0.39 0.00 0.00 64.86 63.67 3hgz h ILE 662 Cb 0.46 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 34.83 3hgz h ILE 662 CO 0.01 0.32 0.30 0.50 -0.69 0.00 0.00 178.15 178.59 3hgz h LYS 663 N 0.84 0.56 -0.36 2.37 3.64 -1.44 -0.72 116.57 121.46 3hgz h LYS 663 Ca 0.19 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3hgz h LYS 663 Cb 0.30 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3hgz h LYS 663 CO -0.00 0.37 0.06 1.49 -2.27 0.00 0.00 179.45 179.09 3hgz h GLU 664 N 0.58 0.60 -0.31 1.90 4.22 -1.02 -1.13 114.58 119.42 3hgz h GLU 664 Ca 0.24 -0.16 -0.01 0.00 0.08 0.00 0.00 59.36 59.51 3hgz h GLU 664 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3hgz h GLU 664 CO -0.15 0.67 0.16 0.00 -2.18 0.00 0.00 179.01 177.51 3hgz h ALA 665 N 0.91 1.70 -0.03 2.92 0.00 -1.02 -2.34 119.26 121.40 3hgz h ALA 665 Ca 0.11 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 3hgz h ALA 665 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hgz h ALA 665 CO 0.01 0.25 -0.85 -0.92 0.00 0.00 0.00 179.25 177.74 3hgz h TYR 666 N 0.42 0.56 0.45 0.00 3.20 -0.74 -1.36 116.97 119.50 3hgz h TYR 666 Ca 0.11 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 3hgz h TYR 666 Cb 0.03 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3hgz h TYR 666 CO 0.00 1.07 -0.37 1.98 -1.64 0.00 0.00 178.16 179.21 3hgz h MET 667 N 0.24 -0.79 -0.05 1.82 4.05 -0.87 -0.87 114.93 118.47 3hgz h MET 667 Ca -0.06 0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3hgz h MET 667 Cb 1.46 0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 32.40 3hgz h MET 667 CO 0.14 -0.53 -0.14 0.00 0.23 0.00 0.00 176.91 176.62 3hgz h ARG 668 N -0.82 -0.21 -0.87 0.39 3.08 -1.39 -0.71 114.38 113.86 3hgz h ARG 668 Ca -0.04 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.23 3hgz h ARG 668 Cb 0.70 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.68 3hgz h ARG 668 CO -0.01 -0.14 0.33 1.03 -1.07 0.00 0.00 179.97 180.11 3hgz h SER 669 N -0.22 0.23 -0.17 7.04 0.87 -1.17 0.64 113.55 120.78 3hgz h SER 669 Ca 0.06 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 3hgz h SER 669 Cb 0.30 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3hgz h SER 669 CO -0.17 -0.03 -0.04 -0.07 -0.53 0.00 0.00 176.83 175.99 3hgz h LEU 670 N 0.35 0.32 -1.84 2.23 3.38 0.07 -2.93 115.31 116.90 3hgz h LEU 670 Ca 0.53 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3hgz h LEU 670 Cb 1.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3hgz h LEU 670 CO -0.54 0.61 0.18 0.78 0.09 0.00 0.00 178.44 179.56 3hgz h ASN 671 N 0.02 0.18 0.43 -0.43 2.35 0.27 -2.75 115.58 115.66 3hgz h ASN 671 Ca 0.04 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hgz h ASN 671 Cb 0.47 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3hgz h ASN 671 CO 0.02 0.12 0.00 0.59 -1.65 0.00 0.00 177.43 176.51 3hgz n ASN 672 N -4.49 0.00 0.29 5.81 5.03 0.21 -2.84 115.26 119.27 3hgz n ASN 672 Ca 0.02 0.27 0.18 0.00 0.87 0.00 0.00 54.58 55.92 3hgz n ASN 672 Cb 0.19 -0.39 0.89 0.00 -1.02 0.00 0.00 39.78 39.44 3hgz n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3hgz h PHE 673 N 0.00 0.00 0.00 3.10 3.57 -1.54 -2.02 116.94 120.06 3hgz h PHE 673 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3hgz h PHE 673 Cb 0.22 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 3hgz h PHE 673 CO 0.00 0.04 -0.13 0.07 -2.23 0.00 0.00 178.31 176.06 3hgz h ARG 674 N 0.00 0.00 -0.15 1.11 0.11 -1.77 -2.28 114.38 111.40 3hgz h ARG 674 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hgz h ARG 674 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 3hgz h ARG 674 CO 0.00 0.13 0.00 0.00 0.10 0.00 0.00 179.97 180.20 3hgz n ALA 675 N -2.30 2.53 -1.21 0.08 0.00 -0.76 -4.35 120.51 114.50 3hgz n ALA 675 Ca -0.02 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 3hgz n ALA 675 Cb 0.24 -1.10 0.12 0.00 0.00 0.00 0.00 19.45 18.71 3hgz n ALA 675 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hgz s GLU 676 N -1.82 1.68 0.44 0.00 0.41 -0.86 -4.95 118.70 113.60 3hgz s GLU 676 Ca 0.33 1.00 -0.25 0.00 -0.41 0.00 0.00 54.97 55.64 3hgz s GLU 676 Cb 0.18 -1.84 -0.09 0.00 -1.78 0.00 0.00 34.13 30.59 3hgz s GLU 676 CO 0.27 -2.00 1.26 1.04 -0.49 0.00 0.00 175.26 175.34 3hgz n GLN 677 N -3.74 1.85 -0.26 1.61 1.13 -1.26 -4.83 117.38 111.87 3hgz n GLN 677 Ca 0.08 0.66 0.06 0.00 -1.94 0.00 0.00 57.00 55.87 3hgz n GLN 677 Cb 0.54 -2.38 0.20 0.00 0.11 0.00 0.00 30.24 28.71 3hgz n GLN 677 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3hgz h PRO 678 N 1.95 0.40 -0.61 -1.09 0.11 -1.92 -1.03 132.00 129.81 3hgz h PRO 678 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hgz h PRO 678 Cb 1.30 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3hgz h PRO 678 CO 0.59 0.26 0.36 1.12 -0.21 0.00 0.00 178.00 180.12 3hgz h HIS 679 N 0.41 0.80 -0.38 0.65 2.07 -1.87 -1.57 115.15 115.25 3hgz h HIS 679 Ca 0.44 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.83 3hgz h HIS 679 Cb 0.70 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 3hgz h HIS 679 CO -0.18 0.54 -0.27 1.96 -3.07 0.00 0.00 177.93 176.91 3hgz h GLN 680 N 0.84 0.85 -0.63 5.12 4.20 -1.58 -2.54 115.11 121.36 3hgz h GLN 680 Ca 0.22 -0.41 0.11 0.00 0.06 0.00 0.00 58.65 58.63 3hgz h GLN 680 Cb -0.02 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.67 3hgz h GLN 680 CO -0.04 1.05 0.20 0.45 -0.67 0.00 0.00 178.83 179.82 3hgz h HIS 681 N 0.66 0.33 -0.12 2.96 3.86 -0.90 -1.69 115.15 120.26 3hgz h HIS 681 Ca 0.07 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3hgz h HIS 681 Cb 0.84 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.21 3hgz h HIS 681 CO 0.06 0.04 -0.21 0.00 0.86 0.00 0.00 177.93 178.68 3hgz h ALA 682 N 1.47 -0.18 -0.84 2.45 0.00 -0.90 -1.48 119.26 119.79 3hgz h ALA 682 Ca 0.33 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3hgz h ALA 682 Cb 0.46 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3hgz h ALA 682 CO -0.37 -0.67 0.51 0.52 0.00 0.00 0.00 179.25 179.24 3hgz h MET 683 N -0.28 0.90 0.46 0.00 2.07 -1.23 -1.80 114.93 115.06 3hgz h MET 683 Ca 0.10 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.65 3hgz h MET 683 Cb 0.42 -0.20 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 3hgz h MET 683 CO -0.28 0.60 -0.22 -0.92 1.07 0.00 0.00 176.91 177.16 3hgz h TYR 684 N 0.93 -0.57 -0.59 -0.22 3.20 -0.72 -2.03 116.97 116.97 3hgz h TYR 684 Ca 0.37 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.33 3hgz h TYR 684 Cb 0.18 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 3hgz h TYR 684 CO -0.04 -0.28 0.13 1.88 -1.64 0.00 0.00 178.16 178.21 3hgz h TYR 685 N -0.78 0.21 -0.76 -3.82 0.05 -1.17 -1.48 116.97 109.23 3hgz h TYR 685 Ca -0.06 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.80 3hgz h TYR 685 Cb 0.55 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.23 3hgz h TYR 685 CO -0.01 -0.02 0.46 1.25 -1.05 0.00 0.00 178.16 178.79 3hgz h LEU 686 N 0.26 0.72 -0.71 3.88 5.85 -1.19 0.10 115.31 124.23 3hgz h LEU 686 Ca 0.30 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3hgz h LEU 686 Cb 0.44 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3hgz h LEU 686 CO -0.39 0.47 0.41 -0.09 -0.34 0.00 0.00 178.44 178.51 3hgz h ARG 687 N 0.85 0.97 -0.54 1.25 2.43 -0.60 -0.85 114.38 117.89 3hgz h ARG 687 Ca 0.33 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3hgz h ARG 687 Cb 0.14 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3hgz h ARG 687 CO -0.16 0.70 0.25 -0.07 -1.51 0.00 0.00 179.97 179.17 3hgz h LEU 688 N 0.97 0.72 -0.66 3.80 3.38 -0.42 -2.29 115.31 120.80 3hgz h LEU 688 Ca 0.25 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3hgz h LEU 688 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hgz h LEU 688 CO -0.05 0.66 0.16 -0.07 0.09 0.00 0.00 178.44 179.23 3hgz h LEU 689 N 0.73 1.01 0.00 1.67 3.38 -0.30 -3.30 115.31 118.49 3hgz h LEU 689 Ca 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hgz h LEU 689 Cb 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3hgz h LEU 689 CO -0.02 0.98 -1.01 0.23 0.09 0.00 0.00 178.44 178.71 3hgz n MET 690 N -4.28 0.31 -3.63 1.13 2.81 -0.37 -4.82 117.12 108.28 3hgz n MET 690 Ca 0.04 0.01 -0.37 0.00 -1.81 0.00 0.00 57.70 55.57 3hgz n MET 690 Cb 0.25 -1.61 -0.06 0.00 -0.71 0.00 0.00 33.22 31.09 3hgz n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3hgz s THR 691 N -3.21 5.18 0.15 2.03 2.01 -0.87 -1.59 115.64 119.33 3hgz s THR 691 Ca 0.03 0.57 -0.17 0.00 0.31 0.00 0.00 61.69 62.44 3hgz s THR 691 Cb 0.14 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 69.04 3hgz s THR 691 CO 0.80 0.53 1.75 -0.08 -0.69 0.00 0.00 174.62 176.92 3hgz h GLU 692 N 4.56 0.23 -4.15 4.92 4.81 -1.52 -3.40 114.58 120.02 3hgz h GLU 692 Ca -0.52 -0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.23 3hgz h GLU 692 Cb 1.22 -0.05 -0.35 0.00 0.63 0.00 0.00 28.75 30.19 3hgz h GLU 692 CO 0.62 0.15 -0.79 0.08 -0.73 0.00 0.00 179.01 178.34 3hgz s VAL 693 N -6.17 0.78 -0.30 0.32 1.01 -1.26 -5.04 120.40 109.74 3hgz s VAL 693 Ca -0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3hgz s VAL 693 Cb 0.11 -0.80 0.19 0.00 0.00 0.00 0.00 36.38 35.89 3hgz s VAL 693 CO 0.71 0.30 0.64 0.00 0.00 0.00 0.00 175.10 176.74 3hgz s ALA 694 N 1.22 -2.37 0.44 5.51 0.00 -1.26 -5.08 121.76 120.22 3hgz s ALA 694 Ca -0.05 1.78 -0.23 0.00 0.00 0.00 0.00 51.96 53.46 3hgz s ALA 694 Cb -0.14 -2.21 -0.08 0.00 0.00 0.00 0.00 23.12 20.68 3hgz s ALA 694 CO -0.02 -1.36 1.08 -1.58 0.00 0.00 0.00 175.76 173.88 3hgz s TRP 695 N 2.87 3.09 0.36 0.00 0.23 -1.26 -5.00 118.94 119.23 3hgz s TRP 695 Ca 0.19 1.60 0.07 0.00 -2.03 0.00 0.00 56.10 55.93 3hgz s TRP 695 Cb -0.14 -3.18 -0.02 0.00 0.03 0.00 0.00 33.47 30.15 3hgz s TRP 695 CO -0.20 -0.92 0.36 0.95 0.96 0.00 0.00 176.95 178.10 3hgz s THR 696 N -1.70 3.39 0.31 2.01 -4.23 -1.26 -4.93 115.64 109.23 3hgz s THR 696 Ca 0.62 -1.28 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 3hgz s THR 696 Cb -0.23 -3.17 0.08 0.00 1.34 0.00 0.00 72.50 70.53 3hgz s THR 696 CO 0.28 -0.12 1.76 0.11 -0.54 0.00 0.00 174.62 176.11 3hgz h LYS 697 N 1.10 0.37 -0.40 3.99 1.57 -1.96 0.86 116.57 122.11 3hgz h LYS 697 Ca -0.44 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.07 3hgz h LYS 697 Cb 1.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3hgz h LYS 697 CO 0.56 0.60 -0.29 -0.44 -0.57 0.00 0.00 179.45 179.32 3hgz h ASP 698 N 0.33 0.94 0.62 0.86 3.32 -1.95 0.44 116.42 120.98 3hgz h ASP 698 Ca 0.05 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 3hgz h ASP 698 Cb 0.63 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3hgz h ASP 698 CO 0.05 1.18 -0.50 -0.33 -1.72 0.00 0.00 179.24 177.91 3hgz h GLU 699 N 0.71 -1.05 -0.76 3.56 5.08 -1.74 0.51 114.58 120.90 3hgz h GLU 699 Ca 0.08 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.62 3hgz h GLU 699 Cb 0.87 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 30.28 3hgz h GLU 699 CO 0.08 -0.70 0.38 -0.07 -1.00 0.00 0.00 179.01 177.70 3hgz h LEU 700 N -1.09 0.48 -1.17 1.33 3.38 -0.89 -1.37 115.31 115.97 3hgz h LEU 700 Ca -0.08 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3hgz h LEU 700 Cb 0.91 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 3hgz h LEU 700 CO 0.00 0.25 0.59 0.50 0.09 0.00 0.00 178.44 179.87 3hgz h LYS 701 N 0.61 0.88 0.00 1.13 1.63 0.31 -2.61 116.57 118.52 3hgz h LYS 701 Ca 0.39 -0.05 -0.24 0.00 -0.85 0.00 0.00 60.65 59.89 3hgz h LYS 701 Cb 0.47 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 3hgz h LYS 701 CO -0.31 0.58 -1.63 -1.91 -3.45 0.00 0.00 179.45 172.73 3hgz n GLU 702 N -4.54 0.63 0.00 1.90 2.13 0.13 -3.68 120.64 117.21 3hgz n GLU 702 Ca 0.16 0.25 0.13 0.00 0.66 0.00 0.00 57.16 58.35 3hgz n GLU 702 Cb 0.31 -1.78 0.65 0.00 0.27 0.00 0.00 31.44 30.90 3hgz n GLU 702 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hgz n ALA 703 N -2.50 2.30 0.08 4.31 0.00 -0.58 -3.91 120.51 120.22 3hgz n ALA 703 Ca -0.15 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.04 3hgz n ALA 703 Cb 0.97 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 3hgz n ALA 703 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hgz h LEU 704 N 0.00 0.40 -1.16 0.00 5.85 -1.55 -3.17 115.31 115.69 3hgz h LEU 704 Ca 0.00 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.44 3hgz h LEU 704 Cb 0.24 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3hgz h LEU 704 CO 0.00 1.20 0.59 0.44 -0.34 0.00 0.00 178.44 180.32 3hgz h ASP 705 N 0.14 0.86 0.87 1.25 3.45 -1.79 -1.50 116.42 119.70 3hgz h ASP 705 Ca -0.08 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.38 3hgz h ASP 705 Cb 1.69 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 40.29 3hgz h ASP 705 CO 0.17 0.53 -0.05 0.44 -1.57 0.00 0.00 179.24 178.75 3hgz h ASP 706 N 0.97 0.00 -2.46 6.45 3.32 -1.79 -3.42 116.42 119.48 3hgz h ASP 706 Ca 0.41 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.88 3hgz h ASP 706 Cb 0.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3hgz h ASP 706 CO -0.17 0.05 1.34 -0.69 -1.72 0.00 0.00 179.24 178.05 3hgz s VAL 707 N -3.75 3.36 0.28 -1.35 1.01 -0.57 -4.98 120.40 114.40 3hgz s VAL 707 Ca 0.00 0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.44 3hgz s VAL 707 Cb 0.10 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3hgz s VAL 707 CO 0.55 -0.33 -0.06 0.42 0.00 0.00 0.00 175.10 175.68 3hgz s THR 708 N 7.42 3.08 0.14 3.92 -4.23 -1.26 -5.03 115.64 119.67 3hgz s THR 708 Ca 0.84 -2.07 -0.26 0.00 -1.18 0.00 0.00 61.69 59.02 3hgz s THR 708 Cb -0.24 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 3hgz s THR 708 CO 0.33 -0.37 1.60 0.25 -0.54 0.00 0.00 174.62 175.89 3hgz h LEU 709 N 2.00 -1.10 -0.51 4.79 5.85 -2.00 -1.06 115.31 123.28 3hgz h LEU 709 Ca -0.43 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.54 3hgz h LEU 709 Cb 1.25 0.47 -0.07 0.00 0.37 0.00 0.00 40.66 42.68 3hgz h LEU 709 CO 0.61 -0.37 0.11 -0.65 -0.34 0.00 0.00 178.44 177.80 3hgz h PRO 710 N -0.39 0.24 -0.40 5.25 0.11 -1.99 -0.57 132.00 134.25 3hgz h PRO 710 Ca 0.11 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.26 3hgz h PRO 710 Cb 0.56 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3hgz h PRO 710 CO -0.41 0.16 0.27 -0.09 -0.21 0.00 0.00 178.00 177.72 3hgz h ARG 711 N 0.25 0.27 0.08 1.05 9.65 -1.74 -1.72 114.38 122.21 3hgz h ARG 711 Ca 0.26 -0.02 -0.20 0.00 -1.10 0.00 0.00 59.98 58.92 3hgz h ARG 711 Cb 0.35 -0.06 0.02 0.00 -1.39 0.00 0.00 29.97 28.89 3hgz h ARG 711 CO -0.33 0.18 -0.82 1.25 2.80 0.00 0.00 179.97 183.04 3hgz h LEU 712 N 0.28 0.59 -0.82 3.80 6.46 0.08 -2.01 115.31 123.69 3hgz h LEU 712 Ca 0.18 -0.84 0.09 0.00 -0.12 0.00 0.00 57.88 57.18 3hgz h LEU 712 Cb 0.34 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.01 3hgz h LEU 712 CO -0.04 1.37 0.47 0.11 -0.62 0.00 0.00 178.44 179.73 3hgz h LYS 713 N -0.11 0.77 -0.65 1.25 1.57 -0.81 -0.69 116.57 117.90 3hgz h LYS 713 Ca -0.12 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3hgz h LYS 713 Cb 1.57 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 3hgz h LYS 713 CO 0.16 0.51 0.36 0.00 -0.57 0.00 0.00 179.45 179.91 3hgz h ALA 714 N 1.44 0.83 -0.90 3.86 0.00 -1.38 -3.29 119.26 119.83 3hgz h ALA 714 Ca 0.39 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3hgz h ALA 714 Cb 0.33 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3hgz h ALA 714 CO -0.24 0.34 0.59 0.35 0.00 0.00 0.00 179.25 180.29 3hgz h PHE 715 N 0.88 1.11 0.92 0.00 3.57 -0.35 -3.10 116.94 119.98 3hgz h PHE 715 Ca 0.23 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 3hgz h PHE 715 Cb 0.03 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 38.41 3hgz h PHE 715 CO -0.01 0.67 -0.44 0.82 -2.23 0.00 0.00 178.31 177.11 3hgz h ILE 716 N 1.17 0.07 -0.68 1.41 2.04 -1.52 0.47 117.51 120.46 3hgz h ILE 716 Ca 0.34 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 66.24 3hgz h ILE 716 Cb -0.06 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.04 3hgz h ILE 716 CO -0.10 0.00 0.45 -0.65 0.00 0.00 0.00 178.15 177.86 3hgz h PRO 717 N -1.27 0.65 0.34 2.37 0.11 -1.73 0.36 132.00 132.82 3hgz h PRO 717 Ca -0.13 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 3hgz h PRO 717 Cb 0.95 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 3hgz h PRO 717 CO 0.21 0.43 -0.49 0.37 -0.21 0.00 0.00 178.00 178.30 3hgz h GLN 718 N 0.67 -0.85 -0.86 1.05 -0.00 -1.39 0.11 115.11 113.84 3hgz h GLN 718 Ca 0.30 0.06 0.06 0.00 -0.00 0.00 0.00 58.65 59.07 3hgz h GLN 718 Cb 0.31 0.19 -0.06 0.00 0.00 0.00 0.00 27.48 27.92 3hgz h GLN 718 CO -0.10 -0.56 0.53 1.25 0.00 0.00 0.00 178.83 179.95 3hgz h LEU 719 N -0.88 0.83 0.00 -2.39 7.12 0.16 -2.81 115.31 117.35 3hgz h LEU 719 Ca -0.03 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.91 3hgz h LEU 719 Cb 0.81 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.77 3hgz h LEU 719 CO -0.15 0.53 -0.52 -0.07 -0.13 0.00 0.00 178.44 178.10 3hgz h LEU 720 N 0.96 0.00 -1.56 2.25 3.38 -0.17 -3.37 115.31 116.81 3hgz h LEU 720 Ca 0.38 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.41 3hgz h LEU 720 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3hgz h LEU 720 CO -0.18 0.39 0.38 0.77 0.09 0.00 0.00 178.44 179.89 3hgz h SER 721 N 0.00 0.47 -3.38 -0.43 4.64 -0.50 -3.40 113.55 110.95 3hgz h SER 721 Ca -0.02 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.94 3hgz h SER 721 Cb 1.32 -0.10 -0.37 0.00 -0.31 0.00 0.00 62.40 62.94 3hgz h SER 721 CO 0.05 0.31 -0.75 -0.13 -0.87 0.00 0.00 176.83 175.44 3hgz s ARG 722 N -5.49 0.16 0.15 4.77 0.52 -1.26 -1.17 118.95 116.63 3hgz s ARG 722 Ca -0.08 0.21 -0.04 0.00 -0.52 0.00 0.00 55.73 55.30 3hgz s ARG 722 Cb 0.19 -0.55 -0.03 0.00 0.52 0.00 0.00 34.95 35.08 3hgz s ARG 722 CO 0.75 -0.25 0.16 -0.51 0.02 0.00 0.00 175.30 175.47 3hgz s LEU 723 N 1.65 1.40 0.06 2.53 1.43 -1.13 -4.69 118.68 119.92 3hgz s LEU 723 Ca -0.01 -1.08 0.06 0.00 -1.03 0.00 0.00 54.13 52.07 3hgz s LEU 723 Cb -0.13 0.68 -0.03 0.00 0.03 0.00 0.00 46.19 46.74 3hgz s LEU 723 CO -0.03 -0.80 -0.17 -2.28 0.23 0.00 0.00 176.35 173.30 3hgz s HIS 724 N -4.02 1.44 -0.15 0.29 5.65 -1.09 -2.71 115.29 114.70 3hgz s HIS 724 Ca 0.22 -0.39 0.02 0.00 0.25 0.00 0.00 55.06 55.16 3hgz s HIS 724 Cb 0.06 -0.84 0.01 0.00 -1.18 0.00 0.00 32.58 30.63 3hgz s HIS 724 CO 0.02 0.08 -0.21 0.42 -0.65 0.00 0.00 174.74 174.40 3hgz s ILE 725 N -0.96 1.99 -0.09 0.89 1.01 -0.23 -0.70 121.20 123.10 3hgz s ILE 725 Ca 0.03 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.77 3hgz s ILE 725 Cb -0.09 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 3hgz s ILE 725 CO 0.02 0.53 -0.12 -0.70 0.00 0.00 0.00 174.94 174.67 3hgz s GLU 726 N 0.98 2.92 0.01 2.79 2.12 -0.29 0.22 118.70 127.46 3hgz s GLU 726 Ca -0.03 -0.66 -0.01 0.00 0.36 0.00 0.00 54.97 54.64 3hgz s GLU 726 Cb -0.15 -2.54 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 3hgz s GLU 726 CO -0.05 0.47 -0.01 0.00 -0.54 0.00 0.00 175.26 175.13 3hgz s ALA 727 N -0.30 0.04 -0.19 6.30 0.00 -0.86 0.21 121.76 126.95 3hgz s ALA 727 Ca 0.03 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.67 3hgz s ALA 727 Cb -0.13 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.12 3hgz s ALA 727 CO 0.03 -0.10 -0.09 -1.17 0.00 0.00 0.00 175.76 174.42 3hgz s LEU 728 N -0.88 2.15 -0.25 0.00 1.98 0.39 -0.79 118.68 121.27 3hgz s LEU 728 Ca -0.10 -0.85 -0.05 0.00 -2.89 0.00 0.00 54.13 50.24 3hgz s LEU 728 Cb -0.06 -1.16 -0.00 0.00 0.66 0.00 0.00 46.19 45.63 3hgz s LEU 728 CO -0.00 -0.16 0.02 -0.76 -1.89 0.00 0.00 176.35 173.56 3hgz s LEU 729 N 1.45 3.36 -0.04 -0.68 1.43 -0.56 -0.54 118.68 123.09 3hgz s LEU 729 Ca -0.01 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3hgz s LEU 729 Cb -0.16 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3hgz s LEU 729 CO -0.08 -0.09 -0.04 -2.28 0.23 0.00 0.00 176.35 174.09 3hgz s HIS 730 N 1.50 0.64 -4.95 0.29 2.46 -0.32 -2.25 115.29 112.66 3hgz s HIS 730 Ca 0.04 -0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.42 3hgz s HIS 730 Cb -0.16 -0.58 0.00 0.00 -0.13 0.00 0.00 32.58 31.71 3hgz s HIS 730 CO 0.00 -0.16 0.00 0.41 -2.47 0.00 0.00 174.74 172.52 3hgz n GLY 731 N 3.96 0.77 3.02 1.59 0.00 -1.03 0.46 105.19 113.97 3hgz n GLY 731 Ca -0.25 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 3hgz n GLY 731 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hgz n ASN 732 N 0.00 4.45 -3.64 1.61 5.15 -0.62 -0.37 115.26 121.84 3hgz n ASN 732 Ca 0.00 -2.92 -0.10 0.00 -0.60 0.00 0.00 54.58 50.96 3hgz n ASN 732 Cb 0.00 -1.64 -0.03 0.00 -0.53 0.00 0.00 39.78 37.58 3hgz n ASN 732 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3hgz s ILE 733 N 2.85 0.01 0.16 -1.44 -5.25 -1.26 -4.85 121.20 111.42 3hgz s ILE 733 Ca 0.47 -0.52 0.05 0.00 -0.99 0.00 0.00 60.65 59.66 3hgz s ILE 733 Cb 0.09 -1.44 -0.04 0.00 2.95 0.00 0.00 42.46 44.03 3hgz s ILE 733 CO -0.02 -0.05 0.12 0.42 -1.79 0.00 0.00 174.94 173.62 3hgz s THR 734 N -3.83 4.42 0.28 8.37 -4.23 -1.26 -4.53 115.64 114.86 3hgz s THR 734 Ca 0.06 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3hgz s THR 734 Cb -0.02 -3.24 0.32 0.00 1.34 0.00 0.00 72.50 70.90 3hgz s THR 734 CO -0.05 -0.09 1.63 0.50 -0.54 0.00 0.00 174.62 176.07 3hgz h LYS 735 N 2.51 0.14 -0.04 3.99 3.64 -1.99 0.22 116.57 125.03 3hgz h LYS 735 Ca -0.48 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 58.72 3hgz h LYS 735 Cb 1.20 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3hgz h LYS 735 CO 0.63 0.09 -0.74 0.37 -2.27 0.00 0.00 179.45 177.54 3hgz h GLN 736 N 0.15 0.27 -0.07 1.90 -0.00 -1.99 -1.50 115.11 113.86 3hgz h GLN 736 Ca 0.53 -0.23 -0.13 0.00 -0.00 0.00 0.00 58.65 58.83 3hgz h GLN 736 Cb 1.06 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.58 3hgz h GLN 736 CO -0.71 0.89 -0.54 0.00 0.00 0.00 0.00 178.83 178.48 3hgz h ALA 737 N 1.04 0.97 0.22 3.38 0.00 -1.37 -2.24 119.26 121.26 3hgz h ALA 737 Ca -0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3hgz h ALA 737 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hgz h ALA 737 CO 0.12 0.68 -0.10 0.00 0.00 0.00 0.00 179.25 179.94 3hgz h ALA 738 N 1.30 -0.29 -0.96 0.00 0.00 -0.25 0.09 119.26 119.14 3hgz h ALA 738 Ca 0.00 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.94 3hgz h ALA 738 Cb 1.00 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 3hgz h ALA 738 CO 0.08 -0.46 0.53 -0.07 0.00 0.00 0.00 179.25 179.33 3hgz h LEU 739 N -0.69 0.60 -1.10 0.00 3.38 -1.34 0.11 115.31 116.26 3hgz h LEU 739 Ca -0.03 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3hgz h LEU 739 Cb 0.48 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3hgz h LEU 739 CO 0.05 0.12 0.26 1.23 0.09 0.00 0.00 178.44 180.19 3hgz h GLY 740 N 0.57 0.97 0.52 0.83 0.00 -0.75 -0.12 103.07 105.08 3hgz h GLY 740 Ca 0.60 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 3hgz h GLY 740 CO -0.46 0.46 -0.02 -2.22 0.00 0.00 0.00 176.54 174.30 3hgz h ILE 741 N 0.89 1.30 -0.11 2.60 2.04 0.11 -2.04 117.51 122.31 3hgz h ILE 741 Ca 0.21 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 65.02 3hgz h ILE 741 Cb 0.15 2.03 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 3hgz h ILE 741 CO -0.02 0.28 -0.26 -0.03 0.00 0.00 0.00 178.15 178.12 3hgz h MET 742 N -0.53 -0.32 -0.53 2.37 4.05 -1.18 -0.26 114.93 118.53 3hgz h MET 742 Ca -0.00 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.54 3hgz h MET 742 Cb 0.49 0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 31.27 3hgz h MET 742 CO 0.01 -0.22 -0.02 0.37 0.23 0.00 0.00 176.91 177.28 3hgz h GLN 743 N -0.34 0.10 -0.86 0.39 5.75 -1.06 -0.05 115.11 119.03 3hgz h GLN 743 Ca 0.09 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.63 3hgz h GLN 743 Cb 0.48 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 3hgz h GLN 743 CO -0.30 0.06 0.55 1.98 -2.65 0.00 0.00 178.83 178.47 3hgz h MET 744 N 0.10 1.03 0.23 1.69 4.05 -0.82 0.30 114.93 121.51 3hgz h MET 744 Ca 0.27 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.62 3hgz h MET 744 Cb 0.42 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 3hgz h MET 744 CO -0.46 0.68 -0.12 0.28 0.23 0.00 0.00 176.91 177.52 3hgz h VAL 745 N 1.07 0.76 0.09 -5.77 2.07 0.74 -2.36 116.25 112.84 3hgz h VAL 745 Ca 0.35 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.88 3hgz h VAL 745 Cb 0.03 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3hgz h VAL 745 CO -0.12 0.00 -0.16 -0.33 0.02 0.00 0.00 177.57 176.97 3hgz h GLU 746 N -0.32 -0.31 -0.73 1.57 5.08 -1.09 -2.64 114.58 116.14 3hgz h GLU 746 Ca -0.03 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.53 3hgz h GLU 746 Cb 0.25 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3hgz h GLU 746 CO 0.05 -0.20 0.51 -0.44 -1.00 0.00 0.00 179.01 177.92 3hgz h ASP 747 N -0.32 0.17 0.09 1.42 3.45 -0.82 0.14 116.42 120.56 3hgz h ASP 747 Ca 0.03 0.01 -0.22 0.00 0.43 0.00 0.00 57.03 57.28 3hgz h ASP 747 Cb 0.34 -0.02 0.02 0.00 -0.56 0.00 0.00 39.33 39.11 3hgz h ASP 747 CO -0.09 0.08 -0.92 0.74 -1.57 0.00 0.00 179.24 177.47 3hgz h THR 748 N 0.18 1.40 0.20 0.35 2.02 -1.24 -2.27 112.91 113.55 3hgz h THR 748 Ca 0.36 -2.37 -0.01 0.00 0.77 0.00 0.00 66.41 65.16 3hgz h THR 748 Cb 1.15 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 3hgz h THR 748 CO -0.06 0.70 -0.10 -0.07 0.37 0.00 0.00 175.52 176.35 3hgz h LEU 749 N -0.04 -0.23 -0.57 2.58 3.38 -0.87 -1.17 115.31 118.39 3hgz h LEU 749 Ca -0.14 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 57.87 3hgz h LEU 749 Cb 1.65 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 42.35 3hgz h LEU 749 CO 0.18 -0.07 -0.16 0.40 0.09 0.00 0.00 178.44 178.87 3hgz h ILE 750 N -0.38 0.40 -0.33 1.22 1.08 -0.88 0.34 117.51 118.96 3hgz h ILE 750 Ca -0.03 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.28 3hgz h ILE 750 Cb 0.29 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 3hgz h ILE 750 CO 0.05 0.00 -0.43 -0.08 -0.69 0.00 0.00 178.15 177.00 3hgz h GLU 751 N -0.02 0.88 0.00 2.37 4.81 -1.25 -1.61 114.58 119.76 3hgz h GLU 751 Ca 0.27 -0.50 -0.12 0.00 -0.13 0.00 0.00 59.36 58.88 3hgz h GLU 751 Cb 0.44 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3hgz h GLU 751 CO -0.60 1.14 -2.07 0.72 -0.73 0.00 0.00 179.01 177.47 3hgz n HIS 752 N -4.08 0.00 0.26 0.92 8.25 -0.45 -4.57 115.22 115.54 3hgz n HIS 752 Ca -0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.45 3hgz n HIS 752 Cb 0.56 -0.64 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 3hgz n HIS 752 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hgz n ALA 753 N -2.39 2.68 -1.87 -1.41 0.00 0.11 -4.84 120.51 112.80 3hgz n ALA 753 Ca -0.14 -0.21 -0.19 0.00 0.00 0.00 0.00 53.44 52.90 3hgz n ALA 753 Cb 0.75 -0.20 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 3hgz n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hgz n HIS 754 N -0.90 -0.47 -1.65 0.00 -0.00 -0.60 -4.42 115.22 107.18 3hgz n HIS 754 Ca 0.01 0.00 -0.52 0.00 -0.00 0.00 0.00 57.72 57.21 3hgz n HIS 754 Cb 0.10 -3.42 -0.06 0.00 -0.00 0.00 0.00 29.99 26.60 3hgz n HIS 754 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3hgz n THR 755 N -2.85 0.41 -3.55 1.59 -1.04 -1.22 -4.92 114.28 102.71 3hgz n THR 755 Ca -0.20 -0.12 -0.20 0.00 -2.04 0.00 0.00 64.05 61.49 3hgz n THR 755 Cb 0.64 -1.61 -0.02 0.00 -1.82 0.00 0.00 70.33 67.52 3hgz n THR 755 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3hgz s LYS 756 N 4.32 2.82 0.84 -2.82 -0.14 -0.31 -4.51 119.74 119.93 3hgz s LYS 756 Ca 0.98 -1.25 -0.14 0.00 -1.36 0.00 0.00 55.97 54.20 3hgz s LYS 756 Cb -0.86 -2.60 0.19 0.00 -1.68 0.00 0.00 37.83 32.88 3hgz s LYS 756 CO 0.56 -0.02 1.14 -2.30 -0.76 0.00 0.00 175.35 173.97 3hgz n PRO 757 N -1.55 -1.07 -4.17 -1.68 -0.02 -1.26 -2.85 135.00 122.40 3hgz n PRO 757 Ca 0.01 -1.81 -0.24 0.00 -2.02 0.00 0.00 63.50 59.44 3hgz n PRO 757 Cb 0.60 -1.16 -0.06 0.00 -0.02 0.00 0.00 33.50 32.86 3hgz n PRO 757 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hgz s LEU 758 N 0.00 3.56 0.28 2.45 2.96 -1.10 -4.57 118.68 122.27 3hgz s LEU 758 Ca 0.65 -0.34 -0.28 0.00 -0.22 0.00 0.00 54.13 53.94 3hgz s LEU 758 Cb -0.02 -2.14 -0.09 0.00 0.50 0.00 0.00 46.19 44.44 3hgz s LEU 758 CO 0.45 0.03 0.94 -0.76 -1.32 0.00 0.00 176.35 175.69 3hgz s LEU 759 N -3.41 4.50 0.24 -0.68 1.02 -1.26 -4.92 118.68 114.17 3hgz s LEU 759 Ca 0.31 1.89 -0.05 0.00 0.02 0.00 0.00 54.13 56.31 3hgz s LEU 759 Cb -0.08 -3.80 0.44 0.00 0.02 0.00 0.00 46.19 42.77 3hgz s LEU 759 CO 0.22 0.05 1.73 -0.65 0.02 0.00 0.00 176.35 177.72 3hgz h PRO 760 N 3.68 0.42 0.00 1.29 0.11 -1.99 -1.33 132.00 134.18 3hgz h PRO 760 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hgz h PRO 760 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hgz h PRO 760 CO 0.67 0.28 0.00 0.66 -0.21 0.00 0.00 178.00 179.40 3hgz h SER 761 N 0.44 0.00 -0.31 -2.05 4.64 -2.06 -1.65 113.55 112.55 3hgz h SER 761 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3hgz h SER 761 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3hgz h SER 761 CO -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.56 3hgz n GLN 762 N -2.92 2.08 -2.20 4.77 10.64 -0.50 -4.56 117.38 124.67 3hgz n GLN 762 Ca -0.02 -1.63 -0.42 0.00 -1.83 0.00 0.00 57.00 53.10 3hgz n GLN 762 Cb 0.14 -1.43 0.00 0.00 -0.86 0.00 0.00 30.24 28.09 3hgz n GLN 762 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3hgz n LEU 763 N 0.84 6.89 -4.52 2.61 4.77 -0.62 -4.86 117.00 122.11 3hgz n LEU 763 Ca 0.17 -4.61 -0.39 0.00 -0.03 0.00 0.00 56.01 51.14 3hgz n LEU 763 Cb 0.44 -1.49 -0.11 0.00 -2.33 0.00 0.00 43.42 39.93 3hgz n LEU 763 CO 0.13 1.45 -0.16 0.54 -1.33 0.00 0.00 177.39 178.03 3hgz s VAL 764 N 0.54 5.12 0.75 4.08 0.11 -1.26 -5.09 120.40 124.65 3hgz s VAL 764 Ca 0.43 -0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.20 3hgz s VAL 764 Cb 0.11 -3.58 0.04 0.00 -1.53 0.00 0.00 36.38 31.43 3hgz s VAL 764 CO -0.02 0.08 1.08 -0.13 -3.33 0.00 0.00 175.10 172.78 3hgz s ARG 765 N 1.71 2.46 0.35 1.54 1.81 -1.26 -5.07 118.95 120.49 3hgz s ARG 765 Ca 0.06 0.86 -0.07 0.00 -1.72 0.00 0.00 55.73 54.86 3hgz s ARG 765 Cb -0.17 -1.94 -0.05 0.00 -0.45 0.00 0.00 34.95 32.33 3hgz s ARG 765 CO 0.10 -1.41 0.66 0.71 -0.68 0.00 0.00 175.30 174.67 3hgz s TYR 766 N -3.06 3.48 0.23 -0.53 4.12 -1.26 -5.09 117.35 115.24 3hgz s TYR 766 Ca 0.60 0.81 0.07 0.00 0.02 0.00 0.00 57.07 58.56 3hgz s TYR 766 Cb -0.15 -2.25 -0.04 0.00 -1.52 0.00 0.00 41.96 38.01 3hgz s TYR 766 CO 0.55 0.02 0.12 1.03 0.02 0.00 0.00 175.55 177.30 3hgz s ARG 767 N -3.79 2.74 -0.02 -0.62 0.52 -1.26 -4.85 118.95 111.67 3hgz s ARG 767 Ca 0.47 -1.09 -0.12 0.00 -0.52 0.00 0.00 55.73 54.47 3hgz s ARG 767 Cb -0.10 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 32.83 3hgz s ARG 767 CO 0.32 0.42 0.33 -2.00 0.02 0.00 0.00 175.30 174.39 3hgz s GLU 768 N -3.55 3.76 0.28 3.54 2.12 -1.26 -1.27 118.70 122.32 3hgz s GLU 768 Ca 0.32 0.22 -0.28 0.00 0.36 0.00 0.00 54.97 55.58 3hgz s GLU 768 Cb -0.08 -3.18 -0.14 0.00 0.26 0.00 0.00 34.13 30.99 3hgz s GLU 768 CO 0.23 0.70 1.02 0.28 -0.54 0.00 0.00 175.26 176.95 3hgz n VAL 769 N 1.73 1.93 -3.73 3.70 0.31 -0.62 -0.83 118.33 120.81 3hgz n VAL 769 Ca -0.15 -0.48 -0.38 0.00 -0.01 0.00 0.00 64.34 63.32 3hgz n VAL 769 Cb 0.53 -1.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.34 3hgz n VAL 769 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3hgz s GLN 770 N -1.48 2.64 0.30 5.55 0.74 0.38 -4.70 119.66 123.09 3hgz s GLN 770 Ca 0.59 -1.17 -0.26 0.00 0.05 0.00 0.00 55.36 54.57 3hgz s GLN 770 Cb -0.71 -3.50 -0.10 0.00 1.10 0.00 0.00 33.01 29.81 3hgz s GLN 770 CO 0.59 -0.67 0.92 -0.51 -0.55 0.00 0.00 175.29 175.07 3hgz s LEU 771 N 1.42 4.40 0.44 3.68 1.02 -1.26 -4.11 118.68 124.27 3hgz s LEU 771 Ca -0.01 1.82 -0.23 0.00 0.02 0.00 0.00 54.13 55.72 3hgz s LEU 771 Cb -0.20 -3.89 -0.08 0.00 0.02 0.00 0.00 46.19 42.05 3hgz s LEU 771 CO 0.03 -0.01 1.12 -2.16 0.02 0.00 0.00 176.35 175.35 3hgz s PRO 772 N -1.87 3.92 0.41 1.29 0.04 -1.26 -4.94 135.00 132.60 3hgz s PRO 772 Ca 0.48 1.66 -0.24 0.00 0.04 0.00 0.00 61.00 62.93 3hgz s PRO 772 Cb -0.20 -2.45 -0.11 0.00 0.04 0.00 0.00 34.50 31.78 3hgz s PRO 772 CO 0.25 -0.39 0.87 -0.25 0.04 0.00 0.00 177.00 177.52 3hgz n ASP 773 N -0.34 0.60 -1.61 6.66 10.43 -1.26 -2.19 116.55 128.84 3hgz n ASP 773 Ca 0.06 1.00 -0.16 0.00 2.57 0.00 0.00 54.79 58.27 3hgz n ASP 773 Cb 0.49 -1.27 -0.06 0.00 1.84 0.00 0.00 41.12 42.11 3hgz n ASP 773 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hgz n ARG 774 N 0.28 -1.45 -3.95 -1.24 1.74 0.99 -4.90 116.66 108.13 3hgz n ARG 774 Ca 0.10 0.92 -0.33 0.00 -0.77 0.00 0.00 57.85 57.77 3hgz n ARG 774 Cb 0.39 -5.26 -0.05 0.00 -1.02 0.00 0.00 32.46 26.51 3hgz n ARG 774 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hgz s GLY 775 N -2.30 2.14 -0.12 -0.13 0.00 -0.93 -5.01 107.32 100.96 3hgz s GLY 775 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 3hgz s GLY 775 CO 0.00 -0.73 0.06 0.86 0.00 0.00 0.00 173.10 173.29 3hgz s TRP 776 N -1.34 0.37 -0.02 1.90 -0.00 -1.26 -2.04 118.94 116.55 3hgz s TRP 776 Ca 0.28 -0.23 0.03 0.00 -0.00 0.00 0.00 56.10 56.18 3hgz s TRP 776 Cb -0.13 -0.71 -0.03 0.00 -0.00 0.00 0.00 33.47 32.61 3hgz s TRP 776 CO 0.20 -0.41 -0.09 -0.06 -0.00 0.00 0.00 176.95 176.58 3hgz s PHE 777 N 2.08 2.83 -0.10 5.86 0.40 -0.26 -0.93 117.98 127.85 3hgz s PHE 777 Ca 0.03 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 3hgz s PHE 777 Cb -0.15 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.78 3hgz s PHE 777 CO -0.07 0.31 -0.11 0.08 0.70 0.00 0.00 175.22 176.13 3hgz s VAL 778 N -0.89 1.24 -0.06 -0.44 1.01 -0.70 -0.56 120.40 119.99 3hgz s VAL 778 Ca 0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 3hgz s VAL 778 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3hgz s VAL 778 CO 0.04 0.39 0.03 -0.47 0.00 0.00 0.00 175.10 175.10 3hgz s TYR 779 N 1.22 3.21 -0.04 5.22 5.04 -0.90 -1.28 117.35 129.83 3hgz s TYR 779 Ca -0.03 0.21 -0.02 0.00 -2.44 0.00 0.00 57.07 54.80 3hgz s TYR 779 Cb -0.14 -1.78 0.03 0.00 0.35 0.00 0.00 41.96 40.43 3hgz s TYR 779 CO -0.04 0.51 0.09 1.14 -1.34 0.00 0.00 175.55 175.91 3hgz s GLN 780 N -1.15 0.03 0.43 4.97 -2.07 -1.26 -1.39 119.66 119.22 3hgz s GLN 780 Ca 0.16 0.29 0.03 0.00 -1.82 0.00 0.00 55.36 54.02 3hgz s GLN 780 Cb -0.12 -0.21 -0.03 0.00 -1.09 0.00 0.00 33.01 31.56 3hgz s GLN 780 CO 0.06 -0.17 0.06 -0.65 -1.32 0.00 0.00 175.29 173.26 3hgz s GLN 781 N 1.14 1.98 0.01 9.60 -1.52 -0.30 -4.98 119.66 125.59 3hgz s GLN 781 Ca -0.09 -2.20 0.06 0.00 -1.95 0.00 0.00 55.36 51.17 3hgz s GLN 781 Cb -0.12 -1.11 -0.02 0.00 -0.22 0.00 0.00 33.01 31.54 3hgz s GLN 781 CO -0.05 -0.33 -0.17 -0.98 -0.25 0.00 0.00 175.29 173.51 3hgz s ARG 782 N -3.80 1.27 -0.18 2.91 1.70 -1.26 -0.05 118.95 119.54 3hgz s ARG 782 Ca 0.21 -0.71 -0.28 0.00 -0.47 0.00 0.00 55.73 54.48 3hgz s ARG 782 Cb 0.04 -1.28 -0.00 0.00 -0.57 0.00 0.00 34.95 33.14 3hgz s ARG 782 CO 0.11 0.34 0.97 1.21 -1.08 0.00 0.00 175.30 176.85 3hgz s ASN 783 N -0.73 7.09 0.00 -2.89 2.47 0.01 -4.87 114.94 116.01 3hgz s ASN 783 Ca 0.06 1.35 0.29 0.00 0.42 0.00 0.00 52.86 54.97 3hgz s ASN 783 Cb -0.07 -2.52 1.17 0.00 -1.45 0.00 0.00 41.25 38.38 3hgz s ASN 783 CO 0.00 -0.53 1.86 -0.62 -3.72 0.00 0.00 177.10 174.09 3hgz n GLU 784 N 5.67 0.14 -0.08 0.43 1.02 -1.26 -2.68 120.64 123.87 3hgz n GLU 784 Ca 0.09 -0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 57.04 3hgz n GLU 784 Cb 0.48 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 3hgz n GLU 784 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hgz n VAL 785 N -1.41 0.90 -3.30 2.62 0.31 -1.26 -4.84 118.33 111.36 3hgz n VAL 785 Ca 0.09 -0.25 -0.38 0.00 -0.01 0.00 0.00 64.34 63.78 3hgz n VAL 785 Cb 0.32 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 3hgz n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3hgz s HIS 786 N -2.30 3.46 -0.21 3.52 3.76 -1.26 -4.89 115.29 117.37 3hgz s HIS 786 Ca -0.23 0.84 -0.05 0.00 -0.15 0.00 0.00 55.06 55.47 3hgz s HIS 786 Cb 0.08 -2.59 -0.15 0.00 1.11 0.00 0.00 32.58 31.03 3hgz s HIS 786 CO 0.30 0.07 3.32 -1.71 -0.85 0.00 0.00 174.74 175.88 3hgz n ASN 787 N 4.06 5.77 -4.01 1.40 5.15 -1.26 -1.59 115.26 124.79 3hgz n ASN 787 Ca -0.06 -2.72 -0.08 0.00 -0.60 0.00 0.00 54.58 51.11 3hgz n ASN 787 Cb 0.51 -1.36 -0.10 0.00 -0.53 0.00 0.00 39.78 38.30 3hgz n ASN 787 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hgz s ASN 788 N 1.46 0.34 0.16 1.20 -0.87 -1.26 -4.78 114.94 111.18 3hgz s ASN 788 Ca 0.64 -0.77 0.06 0.00 -1.57 0.00 0.00 52.86 51.23 3hgz s ASN 788 Cb 0.33 0.20 -0.04 0.00 -0.02 0.00 0.00 41.25 41.72 3hgz s ASN 788 CO -0.07 -0.53 0.05 -0.94 -2.57 0.00 0.00 177.10 173.03 3hgz s SER 789 N -2.45 5.06 0.20 -1.22 1.04 0.10 -3.69 113.70 112.75 3hgz s SER 789 Ca -0.00 -0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.23 3hgz s SER 789 Cb 0.02 -1.19 -0.05 0.00 0.10 0.00 0.00 66.02 64.91 3hgz s SER 789 CO -0.07 0.09 -0.15 -0.83 0.98 0.00 0.00 173.24 173.27 3hgz s GLY 790 N -2.91 1.44 -0.13 7.32 0.00 0.06 -0.28 107.32 112.82 3hgz s GLY 790 Ca 0.28 -1.66 -0.11 0.00 0.00 0.00 0.00 44.72 43.24 3hgz s GLY 790 CO 0.20 -1.75 0.34 -1.50 0.00 0.00 0.00 173.10 170.39 3hgz s ILE 791 N -2.91 -0.01 -0.06 0.90 2.07 -0.12 -0.61 121.20 120.47 3hgz s ILE 791 Ca 0.22 0.02 0.06 0.00 -1.41 0.00 0.00 60.65 59.55 3hgz s ILE 791 Cb -0.01 -0.48 -0.01 0.00 0.13 0.00 0.00 42.46 42.08 3hgz s ILE 791 CO 0.07 0.01 -0.25 -0.70 -1.91 0.00 0.00 174.94 172.16 3hgz s GLU 792 N 0.42 2.55 -0.15 3.50 2.12 -0.87 -1.74 118.70 124.52 3hgz s GLU 792 Ca -0.02 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.41 3hgz s GLU 792 Cb -0.04 -2.16 -0.00 0.00 0.26 0.00 0.00 34.13 32.19 3hgz s GLU 792 CO -0.02 0.38 -0.15 0.42 -0.54 0.00 0.00 175.26 175.34 3hgz s ILE 793 N -0.15 2.69 -0.14 -3.70 1.01 0.14 -0.72 121.20 120.33 3hgz s ILE 793 Ca -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3hgz s ILE 793 Cb -0.14 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.21 3hgz s ILE 793 CO 0.04 0.52 -0.22 -0.47 0.00 0.00 0.00 174.94 174.81 3hgz s TYR 794 N 0.73 2.64 -0.46 3.97 5.04 0.24 -1.06 117.35 128.45 3hgz s TYR 794 Ca -0.07 -1.32 -0.03 0.00 -2.44 0.00 0.00 57.07 53.21 3hgz s TYR 794 Cb -0.16 -1.79 0.12 0.00 0.35 0.00 0.00 41.96 40.48 3hgz s TYR 794 CO 0.01 -0.60 0.27 0.71 -1.34 0.00 0.00 175.55 174.60 3hgz s TYR 795 N 0.79 3.54 0.10 4.97 1.51 -0.19 -1.21 117.35 126.87 3hgz s TYR 795 Ca -0.08 -2.44 -0.30 0.00 -1.01 0.00 0.00 57.07 53.23 3hgz s TYR 795 Cb -0.16 -3.24 -0.06 0.00 -0.11 0.00 0.00 41.96 38.39 3hgz s TYR 795 CO -0.01 -0.95 1.20 -1.14 -1.11 0.00 0.00 175.55 173.54 3hgz s GLN 796 N 0.90 4.45 0.00 -0.62 0.74 0.06 -0.93 119.66 124.26 3hgz s GLN 796 Ca 0.10 1.80 0.00 0.00 0.05 0.00 0.00 55.36 57.31 3hgz s GLN 796 Cb -0.22 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3hgz s GLN 796 CO -0.04 -0.21 0.00 0.25 -0.55 0.00 0.00 175.29 174.75 3hgz n THR 797 N 3.53 0.00 -3.84 -0.34 -2.24 -0.50 -4.25 114.28 106.63 3hgz n THR 797 Ca 0.08 0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.92 3hgz n THR 797 Cb 0.46 -1.13 0.03 0.00 -2.10 0.00 0.00 70.33 67.58 3hgz n THR 797 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hgz s ASP 798 N -1.81 0.03 0.33 3.42 -1.08 -1.24 -5.01 116.67 111.31 3hgz s ASP 798 Ca 0.00 -1.03 -0.28 0.00 -0.52 0.00 0.00 52.55 50.72 3hgz s ASP 798 Cb 0.00 0.74 -0.13 0.00 -1.46 0.00 0.00 42.92 42.07 3hgz s ASP 798 CO 0.00 -1.47 1.17 0.23 0.52 0.00 0.00 175.17 175.62 3hgz n MET 799 N -0.61 1.81 -1.76 4.34 2.81 -1.26 -2.25 117.12 120.20 3hgz n MET 799 Ca -0.07 0.63 -0.41 0.00 -1.81 0.00 0.00 57.70 56.05 3hgz n MET 799 Cb 0.60 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 3hgz n MET 799 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3hgz n GLN 800 N 0.58 2.53 -3.57 0.03 6.02 0.73 -4.78 117.38 118.92 3hgz n GLN 800 Ca 0.07 0.89 -0.10 0.00 -0.01 0.00 0.00 57.00 57.84 3hgz n GLN 800 Cb 0.35 -2.60 -0.05 0.00 1.02 0.00 0.00 30.24 28.96 3hgz n GLN 800 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3hgz s SER 801 N -0.20 -0.37 0.31 1.08 1.04 -1.26 -4.97 113.70 109.33 3hgz s SER 801 Ca 0.54 0.34 0.05 0.00 0.48 0.00 0.00 55.95 57.37 3hgz s SER 801 Cb -0.49 0.32 0.85 0.00 0.10 0.00 0.00 66.02 66.79 3hgz s SER 801 CO 0.63 -0.39 1.51 0.41 0.98 0.00 0.00 173.24 176.38 3hgz n THR 802 N 0.58 -0.40 0.03 2.02 -1.04 -1.26 -0.38 114.28 113.82 3hgz n THR 802 Ca -0.10 2.08 -0.19 0.00 -2.04 0.00 0.00 64.05 63.81 3hgz n THR 802 Cb 0.58 -3.11 -0.12 0.00 -1.82 0.00 0.00 70.33 65.87 3hgz n THR 802 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3hgz h SER 803 N 0.00 0.59 -0.40 8.00 4.64 -1.97 -2.82 113.55 121.60 3hgz h SER 803 Ca 0.63 -0.80 -0.10 0.00 -0.47 0.00 0.00 61.79 61.05 3hgz h SER 803 Cb 1.39 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3hgz h SER 803 CO -0.87 1.32 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.94 3hgz h GLU 804 N -0.07 0.80 -0.40 4.77 4.39 -1.62 -1.33 114.58 121.11 3hgz h GLU 804 Ca -0.11 -0.33 0.08 0.00 0.34 0.00 0.00 59.36 59.35 3hgz h GLU 804 Cb 1.48 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 30.01 3hgz h GLU 804 CO 0.15 0.95 -0.20 -0.91 -1.16 0.00 0.00 179.01 177.83 3hgz h ASN 805 N 0.61 -0.69 0.35 1.42 -0.26 -0.80 -2.11 115.58 114.10 3hgz h ASN 805 Ca 0.09 0.16 -0.24 0.00 -0.56 0.00 0.00 56.30 55.75 3hgz h ASN 805 Cb 0.69 0.37 0.01 0.00 -1.06 0.00 0.00 38.32 38.32 3hgz h ASN 805 CO 0.05 -0.23 -1.02 0.24 -1.06 0.00 0.00 177.43 175.41 3hgz h MET 806 N -0.13 0.42 -0.07 0.81 2.86 -1.33 0.12 114.93 117.60 3hgz h MET 806 Ca 0.19 -0.49 0.04 0.00 -2.06 0.00 0.00 59.70 57.38 3hgz h MET 806 Cb 0.43 0.15 -0.06 0.00 0.06 0.00 0.00 31.60 32.18 3hgz h MET 806 CO -0.48 1.16 -0.39 0.74 1.06 0.00 0.00 176.91 178.99 3hgz h PHE 807 N 0.22 -1.10 0.18 -0.22 0.05 -1.20 -0.84 116.94 114.03 3hgz h PHE 807 Ca -0.10 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.73 3hgz h PHE 807 Cb 1.67 0.49 -0.01 0.00 2.00 0.00 0.00 35.95 40.10 3hgz h PHE 807 CO 0.07 -0.46 -0.16 1.25 -0.18 0.00 0.00 178.31 178.82 3hgz h LEU 808 N -0.50 -0.43 -1.10 1.54 5.85 -1.23 -0.44 115.31 119.00 3hgz h LEU 808 Ca 0.07 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3hgz h LEU 808 Cb 0.61 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3hgz h LEU 808 CO -0.35 -0.25 0.61 -0.33 -0.34 0.00 0.00 178.44 177.78 3hgz h GLU 809 N -0.37 1.12 -0.15 1.25 5.08 -0.90 0.09 114.58 120.71 3hgz h GLU 809 Ca -0.00 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3hgz h GLU 809 Cb 0.34 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hgz h GLU 809 CO -0.03 0.74 -0.34 1.25 -1.00 0.00 0.00 179.01 179.63 3hgz h LEU 810 N 1.15 0.55 0.05 1.33 6.46 -0.97 -2.15 115.31 121.74 3hgz h LEU 810 Ca 0.37 -0.57 0.02 0.00 -0.12 0.00 0.00 57.88 57.59 3hgz h LEU 810 Cb 0.04 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 3hgz h LEU 810 CO -0.12 1.02 -0.17 0.15 -0.62 0.00 0.00 178.44 178.70 3hgz h PHE 811 N 0.11 -0.46 -0.88 1.25 3.04 -0.80 -0.92 116.94 118.28 3hgz h PHE 811 Ca -0.00 0.01 0.22 0.00 3.98 0.00 0.00 57.97 62.18 3hgz h PHE 811 Cb 0.94 0.20 -0.13 0.00 2.56 0.00 0.00 35.95 39.52 3hgz h PHE 811 CO 0.10 -0.26 0.35 0.00 -2.02 0.00 0.00 178.31 176.49 3hgz h ALA 812 N 0.57 1.37 -0.17 2.41 0.00 -0.97 -0.71 119.26 121.76 3hgz h ALA 812 Ca 0.04 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hgz h ALA 812 Cb 0.36 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hgz h ALA 812 CO -0.13 -0.36 -0.03 0.37 0.00 0.00 0.00 179.25 179.10 3hgz h GLN 813 N 0.36 0.32 0.22 0.00 5.75 -0.86 -0.13 115.11 120.77 3hgz h GLN 813 Ca 0.54 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.92 3hgz h GLN 813 Cb 1.03 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.56 3hgz h GLN 813 CO -0.54 0.58 -0.12 0.82 -2.65 0.00 0.00 178.83 176.92 3hgz h ILE 814 N 0.03 0.75 0.00 2.39 2.04 0.17 -2.92 117.51 119.98 3hgz h ILE 814 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3hgz h ILE 814 Cb 0.46 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3hgz h ILE 814 CO 0.02 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.47 3hgz n ILE 815 N -5.23 0.09 0.16 -0.67 -5.35 -0.41 -4.40 119.36 103.54 3hgz n ILE 815 Ca -0.09 0.02 -0.09 0.00 -0.27 0.00 0.00 62.75 62.33 3hgz n ILE 815 Cb 0.16 -0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 37.46 3hgz n ILE 815 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 3hgz h SER 816 N 0.00 -0.62 -0.06 7.28 0.87 -0.81 0.14 113.55 120.35 3hgz h SER 816 Ca 0.00 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3hgz h SER 816 Cb 0.40 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3hgz h SER 816 CO 0.00 -0.32 0.00 -0.08 -0.53 0.00 0.00 176.83 175.90 3hgz h GLU 817 N -0.49 0.10 -1.05 2.24 4.22 -1.78 -2.52 114.58 115.30 3hgz h GLU 817 Ca -0.04 -0.03 0.30 0.00 0.08 0.00 0.00 59.36 59.67 3hgz h GLU 817 Cb 0.42 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.53 3hgz h GLU 817 CO -0.01 0.38 0.64 -1.35 -2.18 0.00 0.00 179.01 176.49 3hgz h PRO 818 N -0.19 0.37 0.52 0.92 0.11 -1.78 0.18 132.00 132.13 3hgz h PRO 818 Ca 0.02 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3hgz h PRO 818 Cb 0.33 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.36 3hgz h PRO 818 CO 0.00 0.25 -0.25 0.00 -0.21 0.00 0.00 178.00 177.79 3hgz h ALA 819 N 1.73 -0.69 -0.66 -0.75 0.00 -0.29 0.15 119.26 118.74 3hgz h ALA 819 Ca 0.68 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.50 3hgz h ALA 819 Cb 1.62 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.62 3hgz h ALA 819 CO -0.47 -0.88 0.36 0.35 0.00 0.00 0.00 179.25 178.62 3hgz h PHE 820 N -0.72 0.66 0.13 0.00 3.57 -1.15 -1.52 116.94 117.91 3hgz h PHE 820 Ca -0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3hgz h PHE 820 Cb 0.54 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3hgz h PHE 820 CO -0.03 0.31 -0.06 -0.97 -2.23 0.00 0.00 178.31 175.32 3hgz h ASN 821 N 0.66 -0.14 0.65 0.41 -0.00 -0.32 -0.86 115.58 115.98 3hgz h ASN 821 Ca 0.30 -0.18 -0.03 0.00 -0.00 0.00 0.00 56.30 56.39 3hgz h ASN 821 Cb 0.21 0.04 0.01 0.00 -0.00 0.00 0.00 38.32 38.57 3hgz h ASN 821 CO -0.19 0.10 -0.31 0.74 -0.00 0.00 0.00 177.43 177.76 3hgz h THR 822 N -0.39 0.35 0.03 -3.57 2.02 -0.62 0.73 112.91 111.46 3hgz h THR 822 Ca -0.02 -0.04 -0.23 0.00 0.77 0.00 0.00 66.41 66.90 3hgz h THR 822 Cb 0.31 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3hgz h THR 822 CO 0.03 0.01 -1.08 -0.07 0.37 0.00 0.00 175.52 174.78 3hgz h LEU 823 N -0.90 0.08 0.00 2.58 -0.00 -1.35 0.26 115.31 115.97 3hgz h LEU 823 Ca -0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 3hgz h LEU 823 Cb 0.68 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 3hgz h LEU 823 CO 0.15 1.07 0.00 -1.14 -0.00 0.00 0.00 178.44 178.52 3hgz n ARG 824 N -3.37 0.00 0.08 1.13 0.63 -0.35 -1.29 116.66 113.49 3hgz n ARG 824 Ca -0.02 0.08 -0.12 0.00 -0.92 0.00 0.00 57.85 56.87 3hgz n ARG 824 Cb 0.96 -0.56 -0.05 0.00 0.45 0.00 0.00 32.46 33.25 3hgz n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3hgz h THR 825 N 0.00 0.65 0.18 5.15 2.02 -1.12 0.59 112.91 120.38 3hgz h THR 825 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3hgz h THR 825 Cb 0.00 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3hgz h THR 825 CO 0.00 0.00 -0.09 0.50 0.37 0.00 0.00 175.52 176.30 3hgz h LYS 826 N -0.28 -0.23 0.00 6.66 1.63 0.44 -3.38 116.57 121.40 3hgz h LYS 826 Ca 0.03 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3hgz h LYS 826 Cb 0.31 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 3hgz h LYS 826 CO -0.10 -0.16 -0.21 0.39 -3.45 0.00 0.00 179.45 175.93 3hgz n GLU 827 N -3.16 0.03 -4.08 1.90 1.02 0.89 -4.95 120.64 112.29 3hgz n GLU 827 Ca -0.03 0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.84 3hgz n GLU 827 Cb 0.10 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 29.95 3hgz n GLU 827 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hgz n GLN 828 N -1.58 -2.71 -0.06 3.49 1.13 0.21 -4.89 117.38 112.96 3hgz n GLN 828 Ca 0.06 0.33 -0.06 0.00 -1.94 0.00 0.00 57.00 55.39 3hgz n GLN 828 Cb 0.35 -4.40 0.13 0.00 0.11 0.00 0.00 30.24 26.43 3hgz n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3hgz h LEU 829 N -1.77 0.71 -7.07 1.08 3.38 -1.37 -3.48 115.31 106.80 3hgz h LEU 829 Ca -0.63 -0.24 0.31 0.00 0.09 0.00 0.00 57.88 57.41 3hgz h LEU 829 Cb 1.38 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.77 3hgz h LEU 829 CO 0.67 0.90 0.88 -0.83 0.09 0.00 0.00 178.44 180.15 3hgz s GLY 830 N -3.87 -0.34 0.10 0.83 0.00 -1.26 -4.03 107.32 98.75 3hgz s GLY 830 Ca -0.09 1.29 -0.22 0.00 0.00 0.00 0.00 44.72 45.71 3hgz s GLY 830 CO 0.82 0.38 1.74 -1.82 0.00 0.00 0.00 173.10 174.22 3hgz h TYR 831 N 2.00 0.05 -3.54 1.90 3.20 -1.80 -3.41 116.97 115.36 3hgz h TYR 831 Ca -0.18 0.00 -0.61 0.00 3.14 0.00 0.00 58.73 61.08 3hgz h TYR 831 Cb 1.17 -0.01 -0.12 0.00 1.54 0.00 0.00 36.73 39.31 3hgz h TYR 831 CO 0.30 0.03 0.06 0.42 -1.64 0.00 0.00 178.16 177.33 3hgz s ILE 832 N -6.19 5.03 -0.18 1.81 1.01 -1.26 -5.01 121.20 116.41 3hgz s ILE 832 Ca -0.13 0.97 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 3hgz s ILE 832 Cb 0.07 -3.88 0.09 0.00 0.01 0.00 0.00 42.46 38.75 3hgz s ILE 832 CO 0.67 0.05 0.33 -0.69 0.00 0.00 0.00 174.94 175.30 3hgz s VAL 833 N 2.40 -0.51 0.00 2.92 1.01 -1.26 -1.30 120.40 123.66 3hgz s VAL 833 Ca 0.23 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3hgz s VAL 833 Cb -0.16 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 3hgz s VAL 833 CO 0.09 0.03 -0.01 0.12 0.00 0.00 0.00 175.10 175.33 3hgz s PHE 834 N 2.49 0.08 0.39 5.22 5.36 0.13 -4.88 117.98 126.78 3hgz s PHE 834 Ca 0.03 -0.06 0.05 0.00 -0.96 0.00 0.00 56.93 55.99 3hgz s PHE 834 Cb -0.13 -0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.47 3hgz s PHE 834 CO -0.11 -0.02 0.17 -1.54 -1.46 0.00 0.00 175.22 172.26 3hgz s SER 835 N -0.14 2.54 0.00 6.13 1.04 -1.26 -0.37 113.70 121.64 3hgz s SER 835 Ca -0.01 -1.71 0.00 0.00 0.48 0.00 0.00 55.95 54.71 3hgz s SER 835 Cb -0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3hgz s SER 835 CO -0.00 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.85 3hgz n GLY 836 N -0.85 2.03 3.77 7.32 0.00 -1.09 -4.98 105.19 111.38 3hgz n GLY 836 Ca -0.03 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3hgz n GLY 836 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hgz s PRO 837 N -1.53 4.07 -0.14 1.61 0.02 -1.26 -0.93 135.00 136.84 3hgz s PRO 837 Ca 0.00 2.28 -0.03 0.00 0.02 0.00 0.00 61.00 63.26 3hgz s PRO 837 Cb 0.00 -2.87 -0.03 0.00 0.02 0.00 0.00 34.50 31.62 3hgz s PRO 837 CO 0.00 -0.45 -0.03 0.50 -0.33 0.00 0.00 177.00 176.69 3hgz s ARG 838 N -2.11 3.52 -0.09 5.54 3.52 0.30 -4.77 118.95 124.86 3hgz s ARG 838 Ca 0.54 -0.49 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 3hgz s ARG 838 Cb -0.41 -2.89 0.02 0.00 -1.56 0.00 0.00 34.95 30.11 3hgz s ARG 838 CO 0.53 0.35 -0.10 1.03 -0.81 0.00 0.00 175.30 176.31 3hgz s ARG 839 N 0.07 1.61 -0.28 5.12 3.00 -1.26 -1.74 118.95 125.47 3hgz s ARG 839 Ca 0.00 -0.34 -0.20 0.00 0.00 0.00 0.00 55.73 55.20 3hgz s ARG 839 Cb -0.13 -1.48 0.08 0.00 0.00 0.00 0.00 34.95 33.42 3hgz s ARG 839 CO 0.02 -0.11 0.73 0.00 0.00 0.00 0.00 175.30 175.94 3hgz s ALA 840 N 1.15 -1.87 -1.55 2.13 0.00 -0.79 -4.94 121.76 115.89 3hgz s ALA 840 Ca -0.05 2.25 0.00 0.00 0.00 0.00 0.00 51.96 54.16 3hgz s ALA 840 Cb -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.62 3hgz s ALA 840 CO -0.02 -0.36 0.00 0.09 0.00 0.00 0.00 175.76 175.47 3hgz n ASN 841 N 3.61 -4.22 0.00 0.00 3.02 -1.26 -1.38 115.26 115.02 3hgz n ASN 841 Ca -0.17 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3hgz n ASN 841 Cb 0.57 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 3hgz n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgz n GLY 842 N -0.45 2.13 3.96 7.41 0.00 -1.26 -4.61 105.19 112.37 3hgz n GLY 842 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3hgz n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hgz s ILE 843 N -2.47 2.38 0.39 -0.61 1.09 -0.48 -0.20 121.20 121.30 3hgz s ILE 843 Ca 0.00 -0.49 -0.11 0.00 -1.10 0.00 0.00 60.65 58.95 3hgz s ILE 843 Cb 0.00 -2.89 0.04 0.00 -1.06 0.00 0.00 42.46 38.55 3hgz s ILE 843 CO 0.00 0.00 0.71 0.00 -0.10 0.00 0.00 174.94 175.55 3hgz s GLN 844 N -5.06 2.20 0.00 2.79 -2.07 -0.95 -1.89 119.66 114.67 3hgz s GLN 844 Ca 0.61 -1.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.57 3hgz s GLN 844 Cb -0.09 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 3hgz s GLN 844 CO 0.42 -1.00 0.00 0.41 -1.32 0.00 0.00 175.29 173.80 3hgz n GLY 845 N -0.56 -2.07 3.58 2.60 0.00 -0.71 -1.41 105.19 106.62 3hgz n GLY 845 Ca -0.06 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 3hgz n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hgz s LEU 846 N 0.00 3.69 0.20 0.99 1.98 -0.11 0.11 118.68 125.54 3hgz s LEU 846 Ca 0.00 -0.00 0.11 0.00 -2.89 0.00 0.00 54.13 51.34 3hgz s LEU 846 Cb 0.00 -1.94 -0.04 0.00 0.66 0.00 0.00 46.19 44.86 3hgz s LEU 846 CO 0.00 0.12 -0.19 0.00 -1.89 0.00 0.00 176.35 174.39 3hgz s ARG 847 N 0.69 1.70 -0.05 1.98 1.70 -0.10 -1.02 118.95 123.86 3hgz s ARG 847 Ca 0.03 -1.48 0.02 0.00 -0.47 0.00 0.00 55.73 53.83 3hgz s ARG 847 Cb -0.13 -1.93 0.01 0.00 -0.57 0.00 0.00 34.95 32.33 3hgz s ARG 847 CO 0.02 0.40 -0.09 -0.06 -1.08 0.00 0.00 175.30 174.49 3hgz s PHE 848 N -1.78 1.06 -0.10 5.89 0.40 -0.22 -2.67 117.98 120.56 3hgz s PHE 848 Ca 0.23 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 3hgz s PHE 848 Cb -0.08 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.64 3hgz s PHE 848 CO 0.12 -0.20 -0.19 0.42 0.70 0.00 0.00 175.22 176.08 3hgz s ILE 849 N 0.62 1.72 -0.01 0.64 1.01 0.50 -0.68 121.20 124.99 3hgz s ILE 849 Ca -0.11 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3hgz s ILE 849 Cb -0.13 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.82 3hgz s ILE 849 CO 0.02 0.48 -0.04 -0.63 0.00 0.00 0.00 174.94 174.77 3hgz s ILE 850 N 0.65 0.39 -0.07 2.92 1.01 -0.71 0.18 121.20 125.57 3hgz s ILE 850 Ca -0.13 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.39 3hgz s ILE 850 Cb -0.16 -0.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 3hgz s ILE 850 CO 0.03 0.13 -0.16 -1.58 0.00 0.00 0.00 174.94 173.36 3hgz s GLN 851 N 0.14 2.67 0.22 2.79 0.74 -0.42 -0.94 119.66 124.86 3hgz s GLN 851 Ca -0.01 -0.73 -0.22 0.00 0.05 0.00 0.00 55.36 54.44 3hgz s GLN 851 Cb -0.05 -2.38 0.04 0.00 1.10 0.00 0.00 33.01 31.72 3hgz s GLN 851 CO -0.00 0.51 0.72 0.45 -0.55 0.00 0.00 175.29 176.41 3hgz s SER 852 N -0.43 -0.35 -0.04 6.67 0.15 0.61 -4.14 113.70 116.18 3hgz s SER 852 Ca 0.05 -0.37 0.11 0.00 0.70 0.00 0.00 55.95 56.43 3hgz s SER 852 Cb -0.12 0.65 -0.23 0.00 -1.71 0.00 0.00 66.02 64.60 3hgz s SER 852 CO 0.02 -1.15 0.69 -0.08 1.20 0.00 0.00 173.24 173.92 3hgz h GLU 853 N 2.00 0.02 -7.18 5.44 4.81 -1.84 0.30 114.58 118.13 3hgz h GLU 853 Ca -0.24 -0.04 -0.53 0.00 -0.13 0.00 0.00 59.36 58.42 3hgz h GLU 853 Cb 1.27 0.01 0.15 0.00 0.63 0.00 0.00 28.75 30.81 3hgz h GLU 853 CO 0.28 0.59 0.39 0.15 -0.73 0.00 0.00 179.01 179.68 3hgz s LYS 854 N -2.60 2.15 0.50 1.92 -0.14 -1.26 -4.77 119.74 115.54 3hgz s LYS 854 Ca -0.05 1.72 -0.22 0.00 -1.36 0.00 0.00 55.97 56.06 3hgz s LYS 854 Cb 0.08 -1.84 -0.06 0.00 -1.68 0.00 0.00 37.83 34.33 3hgz s LYS 854 CO 0.82 -1.82 1.25 -1.25 -0.76 0.00 0.00 175.35 173.60 3hgz s PRO 855 N -3.95 3.46 0.32 -1.68 0.04 -1.26 -4.64 135.00 127.28 3hgz s PRO 855 Ca 0.73 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.79 3hgz s PRO 855 Cb -0.28 -2.33 0.61 0.00 0.04 0.00 0.00 34.50 32.54 3hgz s PRO 855 CO 0.45 -0.86 1.91 -1.35 0.04 0.00 0.00 177.00 177.19 3hgz h PRO 856 N 1.75 0.90 -0.70 0.56 0.11 -1.90 -1.63 132.00 131.09 3hgz h PRO 856 Ca -0.50 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 65.68 3hgz h PRO 856 Cb 1.27 -0.20 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 3hgz h PRO 856 CO 0.59 0.60 0.27 1.12 -0.21 0.00 0.00 178.00 180.37 3hgz h HIS 857 N 0.93 0.47 0.05 0.65 2.07 -1.94 -0.08 115.15 117.30 3hgz h HIS 857 Ca 0.39 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.94 3hgz h HIS 857 Cb 0.30 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.18 3hgz h HIS 857 CO -0.00 0.09 -0.02 -0.92 -3.07 0.00 0.00 177.93 174.00 3hgz h TYR 858 N 0.44 -0.06 -0.95 6.12 3.20 -1.71 -3.01 116.97 121.00 3hgz h TYR 858 Ca 0.37 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.42 3hgz h TYR 858 Cb 0.51 0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.70 3hgz h TYR 858 CO -0.17 0.12 0.54 -0.07 -1.64 0.00 0.00 178.16 176.94 3hgz h LEU 859 N -0.23 0.67 -0.25 2.82 4.07 -0.60 -1.81 115.31 119.98 3hgz h LEU 859 Ca -0.01 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3hgz h LEU 859 Cb 0.21 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3hgz h LEU 859 CO 0.01 0.24 0.15 -0.08 -1.08 0.00 0.00 178.44 177.68 3hgz h GLU 860 N 0.70 0.35 -0.93 1.13 4.57 -0.93 -1.99 114.58 117.48 3hgz h GLU 860 Ca 0.54 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.68 3hgz h GLU 860 Cb 0.83 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 3hgz h GLU 860 CO -0.39 0.28 0.54 0.66 -1.18 0.00 0.00 179.01 178.92 3hgz h SER 861 N 0.31 1.13 -0.39 1.04 4.64 -1.21 -1.73 113.55 117.34 3hgz h SER 861 Ca 0.09 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hgz h SER 861 Cb 0.03 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 3hgz h SER 861 CO -0.02 0.89 0.23 0.03 -0.87 0.00 0.00 176.83 177.09 3hgz h ARG 862 N 1.29 0.54 -0.63 4.77 2.47 -1.15 0.59 114.38 122.26 3hgz h ARG 862 Ca 0.33 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 3hgz h ARG 862 Cb -0.02 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.16 3hgz h ARG 862 CO -0.06 0.42 0.32 0.28 0.56 0.00 0.00 179.97 181.49 3hgz h VAL 863 N 0.51 1.20 -0.43 2.04 2.07 -1.14 0.93 116.25 121.42 3hgz h VAL 863 Ca 0.14 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3hgz h VAL 863 Cb 0.03 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3hgz h VAL 863 CO -0.02 0.23 -0.09 -0.33 0.02 0.00 0.00 177.57 177.37 3hgz h GLU 864 N 0.88 0.82 -0.35 1.57 4.39 -0.67 -1.58 114.58 119.65 3hgz h GLU 864 Ca 0.22 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.62 3hgz h GLU 864 Cb 0.06 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3hgz h GLU 864 CO -0.03 0.93 0.22 0.00 -1.16 0.00 0.00 179.01 178.97 3hgz h ALA 865 N 0.86 0.44 -0.95 3.43 0.00 0.78 -2.56 119.26 121.27 3hgz h ALA 865 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hgz h ALA 865 Cb 0.62 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3hgz h ALA 865 CO 0.04 -0.11 0.62 0.35 0.00 0.00 0.00 179.25 180.15 3hgz h PHE 866 N 0.45 1.17 -0.86 0.00 3.57 -0.67 -2.05 116.94 118.57 3hgz h PHE 866 Ca 0.13 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3hgz h PHE 866 Cb -0.04 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 38.27 3hgz h PHE 866 CO -0.06 0.71 0.43 1.25 -2.23 0.00 0.00 178.31 178.41 3hgz h LEU 867 N 1.24 1.11 0.39 0.59 5.85 -0.88 -0.39 115.31 123.22 3hgz h LEU 867 Ca 0.36 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3hgz h LEU 867 Cb -0.08 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.67 3hgz h LEU 867 CO -0.09 0.93 -0.19 0.40 -0.34 0.00 0.00 178.44 179.14 3hgz h ILE 868 N 1.22 0.62 -0.99 4.05 1.08 -1.20 -1.72 117.51 120.56 3hgz h ILE 868 Ca 0.30 -0.25 0.34 0.00 -0.39 0.00 0.00 64.86 64.86 3hgz h ILE 868 Cb 0.10 0.74 -0.18 0.00 -3.07 0.00 0.00 36.82 34.41 3hgz h ILE 868 CO -0.04 0.05 0.32 0.74 -0.69 0.00 0.00 178.15 178.53 3hgz h THR 869 N -0.67 0.05 -0.04 -0.27 2.02 -0.93 0.16 112.91 113.24 3hgz h THR 869 Ca -0.05 -0.02 -0.16 0.00 0.77 0.00 0.00 66.41 66.95 3hgz h THR 869 Cb 0.48 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3hgz h THR 869 CO 0.09 0.01 -0.69 0.24 0.37 0.00 0.00 175.52 175.53 3hgz h MET 870 N 0.04 0.21 0.62 6.66 2.86 -0.76 -1.14 114.93 123.43 3hgz h MET 870 Ca 0.72 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 58.16 3hgz h MET 870 Cb 1.72 0.03 0.01 0.00 0.06 0.00 0.00 31.60 33.42 3hgz h MET 870 CO -0.81 0.82 -0.30 1.49 1.06 0.00 0.00 176.91 179.17 3hgz h GLU 871 N 0.14 -0.80 -0.83 1.72 4.81 0.22 -0.67 114.58 119.17 3hgz h GLU 871 Ca -0.02 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3hgz h GLU 871 Cb 1.24 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.74 3hgz h GLU 871 CO 0.11 -0.52 0.52 -0.22 -0.73 0.00 0.00 179.01 178.16 3hgz h LYS 872 N -0.86 0.94 -0.98 1.92 3.64 -1.45 -1.84 116.57 117.93 3hgz h LYS 872 Ca -0.09 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.35 3hgz h LYS 872 Cb 0.65 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 3hgz h LYS 872 CO 0.14 0.62 0.62 1.03 -2.27 0.00 0.00 179.45 179.58 3hgz h SER 873 N 0.96 0.91 -0.11 4.20 0.87 -0.99 -1.93 113.55 117.47 3hgz h SER 873 Ca 0.35 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.81 3hgz h SER 873 Cb 0.12 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3hgz h SER 873 CO -0.15 0.50 -0.52 0.40 -0.53 0.00 0.00 176.83 176.53 3hgz h ILE 874 N 0.99 1.36 -0.98 2.23 2.04 -0.29 -2.37 117.51 120.49 3hgz h ILE 874 Ca 0.48 -1.82 0.12 0.00 1.00 0.00 0.00 64.86 64.63 3hgz h ILE 874 Cb 0.44 2.15 -0.08 0.00 -0.74 0.00 0.00 36.82 38.59 3hgz h ILE 874 CO -0.25 0.55 0.61 -0.33 0.00 0.00 0.00 178.15 178.72 3hgz h GLU 875 N 0.16 0.93 0.00 2.37 5.08 -1.13 -2.32 114.58 119.67 3hgz h GLU 875 Ca -0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3hgz h GLU 875 Cb 1.16 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3hgz h GLU 875 CO 0.11 0.62 -0.20 -0.25 -1.00 0.00 0.00 179.01 178.28 3hgz n ASP 876 N -4.64 0.30 -4.79 1.42 10.43 -0.75 -4.90 116.55 113.62 3hgz n ASP 876 Ca 0.18 0.25 -0.36 0.00 2.57 0.00 0.00 54.79 57.43 3hgz n ASP 876 Cb 0.35 -0.25 -0.06 0.00 1.84 0.00 0.00 41.12 42.99 3hgz n ASP 876 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hgz s MET 877 N -3.03 4.49 0.58 -1.24 0.23 -0.88 -5.02 119.30 114.44 3hgz s MET 877 Ca 0.12 1.24 -0.15 0.00 -1.03 0.00 0.00 55.69 55.87 3hgz s MET 877 Cb 0.17 -2.72 -0.04 0.00 -1.53 0.00 0.00 34.83 30.71 3hgz s MET 877 CO 0.60 0.25 1.04 0.95 -2.03 0.00 0.00 175.02 175.83 3hgz s THR 878 N -1.69 4.02 0.41 3.16 -4.23 -1.26 -4.87 115.64 111.18 3hgz s THR 878 Ca 0.51 0.93 0.21 0.00 -1.18 0.00 0.00 61.69 62.15 3hgz s THR 878 Cb -0.17 -3.48 0.41 0.00 1.34 0.00 0.00 72.50 70.60 3hgz s THR 878 CO 0.22 -0.60 1.75 -0.08 -0.54 0.00 0.00 174.62 175.37 3hgz h GLU 879 N 0.43 0.32 -0.13 3.99 4.57 -1.98 -1.27 114.58 120.51 3hgz h GLU 879 Ca -0.46 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 3hgz h GLU 879 Cb 1.21 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3hgz h GLU 879 CO 0.58 0.21 -0.32 1.49 -1.18 0.00 0.00 179.01 179.79 3hgz h GLU 880 N 0.33 0.44 0.15 1.92 4.22 -2.00 -1.32 114.58 118.33 3hgz h GLU 880 Ca 0.63 -0.31 -0.01 0.00 0.08 0.00 0.00 59.36 59.76 3hgz h GLU 880 Cb 1.71 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.01 3hgz h GLU 880 CO -0.31 0.92 -0.08 0.00 -2.18 0.00 0.00 179.01 177.36 3hgz h ALA 881 N 0.52 -0.21 -0.95 2.92 0.00 -1.72 -2.58 119.26 117.23 3hgz h ALA 881 Ca -0.00 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.02 3hgz h ALA 881 Cb 0.93 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 3hgz h ALA 881 CO 0.07 -0.62 0.56 0.35 0.00 0.00 0.00 179.25 179.61 3hgz h PHE 882 N -0.21 0.99 -0.15 0.00 3.57 -1.22 -1.25 116.94 118.67 3hgz h PHE 882 Ca -0.02 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 3hgz h PHE 882 Cb 0.16 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3hgz h PHE 882 CO -0.07 0.26 -0.51 1.96 -2.23 0.00 0.00 178.31 177.72 3hgz h GLN 883 N 0.77 0.40 -0.77 1.11 1.08 -1.07 -2.13 115.11 114.50 3hgz h GLN 883 Ca 0.53 -0.24 0.09 0.00 -1.45 0.00 0.00 58.65 57.58 3hgz h GLN 883 Cb 0.74 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.12 3hgz h GLN 883 CO -0.35 0.82 0.42 0.87 -0.95 0.00 0.00 178.83 179.63 3hgz h LYS 884 N 0.32 0.68 0.02 1.46 1.57 -0.84 0.13 116.57 119.91 3hgz h LYS 884 Ca 0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3hgz h LYS 884 Cb 1.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3hgz h LYS 884 CO 0.09 0.45 -0.01 0.45 -0.57 0.00 0.00 179.45 179.86 3hgz h HIS 885 N 0.70 -0.02 -0.73 -1.35 3.86 -1.21 0.19 115.15 116.59 3hgz h HIS 885 Ca 0.38 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.73 3hgz h HIS 885 Cb 0.37 0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.75 3hgz h HIS 885 CO -0.08 0.22 0.25 0.82 0.86 0.00 0.00 177.93 180.00 3hgz h ILE 886 N -0.26 0.63 -0.29 2.45 2.04 -1.09 0.13 117.51 121.13 3hgz h ILE 886 Ca -0.00 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 3hgz h ILE 886 Cb 0.25 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3hgz h ILE 886 CO 0.00 0.07 -0.22 -0.61 0.00 0.00 0.00 178.15 177.39 3hgz h GLN 887 N 0.38 0.54 -0.16 2.37 5.75 -0.36 0.55 115.11 124.19 3hgz h GLN 887 Ca 0.40 -0.20 -0.10 0.00 -0.15 0.00 0.00 58.65 58.60 3hgz h GLN 887 Cb 0.62 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 3hgz h GLN 887 CO -0.42 0.73 -0.28 0.00 -2.65 0.00 0.00 178.83 176.21 3hgz h ALA 888 N 1.28 0.25 0.31 3.38 0.00 0.46 0.14 119.26 125.07 3hgz h ALA 888 Ca 0.07 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hgz h ALA 888 Cb 0.65 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hgz h ALA 888 CO 0.05 0.26 -0.26 1.25 0.00 0.00 0.00 179.25 180.54 3hgz h LEU 889 N 0.11 -0.69 -0.62 0.00 6.46 -0.88 -1.29 115.31 118.40 3hgz h LEU 889 Ca 0.01 0.06 0.10 0.00 -0.12 0.00 0.00 57.88 57.93 3hgz h LEU 889 Cb 0.86 0.23 -0.11 0.00 -0.73 0.00 0.00 40.66 40.91 3hgz h LEU 889 CO 0.06 -0.39 -0.39 0.00 -0.62 0.00 0.00 178.44 177.10 3hgz h ALA 890 N 0.02 -0.17 -0.58 1.25 0.00 -0.81 0.30 119.26 119.28 3hgz h ALA 890 Ca -0.02 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hgz h ALA 890 Cb 0.52 0.89 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 3hgz h ALA 890 CO -0.03 -0.75 0.18 0.82 0.00 0.00 0.00 179.25 179.48 3hgz h ILE 891 N -0.18 1.22 -0.02 0.00 2.04 -0.82 -1.14 117.51 118.61 3hgz h ILE 891 Ca 0.21 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 3hgz h ILE 891 Cb 0.56 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3hgz h ILE 891 CO -0.71 0.29 0.01 -0.09 0.00 0.00 0.00 178.15 177.65 3hgz h ARG 892 N 0.84 0.03 -0.29 2.37 2.43 0.01 -2.20 114.38 117.57 3hgz h ARG 892 Ca 0.19 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 3hgz h ARG 892 Cb 0.24 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3hgz h ARG 892 CO -0.01 0.20 -0.40 0.00 -1.51 0.00 0.00 179.97 178.25 3hgz h ARG 893 N -0.15 0.70 -0.00 0.20 2.47 -0.23 -3.14 114.38 114.23 3hgz h ARG 893 Ca 0.01 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 3hgz h ARG 893 Cb 0.18 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3hgz h ARG 893 CO -0.00 0.97 -0.12 1.28 0.56 0.00 0.00 179.97 182.66 3hgz n LEU 894 N -4.04 0.58 -4.67 3.04 4.77 -0.45 -4.91 117.00 111.32 3hgz n LEU 894 Ca -0.02 -0.05 -0.45 0.00 -0.03 0.00 0.00 56.01 55.46 3hgz n LEU 894 Cb 0.53 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3hgz n LEU 894 CO 0.46 0.11 1.56 -0.67 -1.33 0.00 0.00 177.39 177.52 3hgz n ASP 895 N -0.87 3.75 -4.75 -1.43 2.03 -0.83 -4.91 116.55 109.55 3hgz n ASP 895 Ca 0.14 0.91 -0.41 0.00 0.52 0.00 0.00 54.79 55.95 3hgz n ASP 895 Cb 0.29 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.21 3hgz n ASP 895 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hgz s LYS 896 N 4.38 4.41 0.27 -0.67 1.02 -1.26 -4.99 119.74 122.90 3hgz s LYS 896 Ca 0.92 2.06 -0.30 0.00 0.02 0.00 0.00 55.97 58.67 3hgz s LYS 896 Cb -0.57 -3.17 -0.14 0.00 -0.52 0.00 0.00 37.83 33.43 3hgz s LYS 896 CO 0.47 -0.20 1.23 -0.35 -0.92 0.00 0.00 175.35 175.58 3hgz n PRO 897 N 2.17 1.74 -0.00 -1.68 -0.04 -1.26 -4.96 135.00 130.97 3hgz n PRO 897 Ca 0.04 0.61 0.10 0.00 -0.04 0.00 0.00 63.50 64.22 3hgz n PRO 897 Cb 0.43 -2.15 -0.12 0.00 -0.04 0.00 0.00 33.50 31.62 3hgz n PRO 897 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hgz n LYS 898 N 1.24 0.08 -3.86 0.54 4.76 -1.26 -4.95 118.16 114.71 3hgz n LYS 898 Ca 0.10 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.43 3hgz n LYS 898 Cb 0.32 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 3hgz n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3hgz s LYS 899 N -3.00 0.68 0.23 1.97 -2.85 -1.26 -4.09 119.74 111.42 3hgz s LYS 899 Ca 0.07 -0.68 -0.18 0.00 -1.00 0.00 0.00 55.97 54.18 3hgz s LYS 899 Cb 0.16 0.28 0.23 0.00 -2.06 0.00 0.00 37.83 36.43 3hgz s LYS 899 CO 0.86 -0.19 1.55 1.25 0.10 0.00 0.00 175.35 178.92 3hgz h LEU 900 N 3.44 -1.44 -0.93 2.77 5.85 -1.96 -1.37 115.31 121.66 3hgz h LEU 900 Ca -0.32 0.31 0.17 0.00 0.84 0.00 0.00 57.88 58.87 3hgz h LEU 900 Cb 1.19 0.75 -0.10 0.00 0.37 0.00 0.00 40.66 42.87 3hgz h LEU 900 CO 0.49 -0.29 0.53 0.28 -0.34 0.00 0.00 178.44 179.11 3hgz h SER 901 N -0.01 0.67 -0.58 1.25 0.02 -1.98 0.27 113.55 113.18 3hgz h SER 901 Ca 0.34 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.30 3hgz h SER 901 Cb 0.59 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3hgz h SER 901 CO -0.97 0.26 0.07 0.00 -1.14 0.00 0.00 176.83 175.05 3hgz h ALA 902 N 1.60 0.97 0.02 3.77 0.00 -1.68 -1.75 119.26 122.20 3hgz h ALA 902 Ca 0.52 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hgz h ALA 902 Cb 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hgz h ALA 902 CO -0.37 0.64 -0.01 1.49 0.00 0.00 0.00 179.25 181.00 3hgz h GLU 903 N 0.95 -0.03 -0.57 0.00 4.81 -0.69 -2.50 114.58 116.53 3hgz h GLU 903 Ca 0.19 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.53 3hgz h GLU 903 Cb 0.45 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.73 3hgz h GLU 903 CO 0.02 0.41 -0.10 0.77 -0.73 0.00 0.00 179.01 179.38 3hgz h SER 904 N -0.48 -0.45 -0.54 1.04 0.02 -0.56 -1.62 113.55 110.97 3hgz h SER 904 Ca -0.00 0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.20 3hgz h SER 904 Cb 0.45 0.32 -0.07 0.00 0.14 0.00 0.00 62.40 63.25 3hgz h SER 904 CO 0.01 -0.17 0.13 0.00 -1.14 0.00 0.00 176.83 175.66 3hgz h ALA 905 N 1.56 0.63 -0.38 3.77 0.00 -1.30 0.21 119.26 123.75 3hgz h ALA 905 Ca 0.28 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.35 3hgz h ALA 905 Cb 0.44 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3hgz h ALA 905 CO -0.56 -0.29 0.09 -0.22 0.00 0.00 0.00 179.25 178.27 3hgz h LYS 906 N 0.27 0.21 0.03 0.00 1.63 -0.85 0.30 116.57 118.17 3hgz h LYS 906 Ca 0.27 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3hgz h LYS 906 Cb 0.37 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3hgz h LYS 906 CO -0.34 0.14 -0.02 1.88 -3.45 0.00 0.00 179.45 177.67 3hgz h TYR 907 N 0.22 -0.04 -1.09 1.91 0.99 -0.77 -2.89 116.97 115.30 3hgz h TYR 907 Ca 0.18 -0.00 0.30 0.00 2.00 0.00 0.00 58.73 61.20 3hgz h TYR 907 Cb 0.20 0.01 -0.08 0.00 1.00 0.00 0.00 36.73 37.86 3hgz h TYR 907 CO -0.18 0.36 0.73 2.35 -0.00 0.00 0.00 178.16 181.42 3hgz h TRP 908 N -0.45 0.41 0.45 4.88 2.91 -0.51 0.12 115.95 123.76 3hgz h TRP 908 Ca -0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 3hgz h TRP 908 Cb 0.42 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 3hgz h TRP 908 CO 0.06 0.03 -0.38 0.78 -1.03 0.00 0.00 178.44 177.90 3hgz h GLY 909 N 0.23 -0.93 0.82 2.65 0.00 -0.72 -0.29 103.07 104.84 3hgz h GLY 909 Ca 0.58 0.43 0.05 0.00 0.00 0.00 0.00 47.33 48.39 3hgz h GLY 909 CO -0.19 -0.33 0.64 0.83 0.00 0.00 0.00 176.54 177.49 3hgz h GLU 910 N -0.83 1.17 0.39 4.80 4.39 -0.74 -2.29 114.58 121.48 3hgz h GLU 910 Ca -0.04 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3hgz h GLU 910 Cb 0.71 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3hgz h GLU 910 CO -0.02 0.78 -0.19 0.82 -1.16 0.00 0.00 179.01 179.24 3hgz h ILE 911 N 1.21 0.00 -0.12 3.13 2.04 -0.91 0.55 117.51 123.42 3hgz h ILE 911 Ca 0.40 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 66.04 3hgz h ILE 911 Cb 0.06 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3hgz h ILE 911 CO -0.14 0.00 0.10 0.16 0.00 0.00 0.00 178.15 178.27 3hgz h ILE 912 N -0.79 0.70 -0.01 -0.67 -0.00 -1.09 0.37 117.51 116.02 3hgz h ILE 912 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.81 3hgz h ILE 912 Cb 0.40 0.92 0.00 0.00 -0.00 0.00 0.00 36.82 38.15 3hgz h ILE 912 CO 0.09 0.00 0.00 -1.54 -0.00 0.00 0.00 178.15 176.70 3hgz n SER 913 N -4.14 0.63 -2.39 2.16 3.41 -0.86 -4.91 113.62 107.53 3hgz n SER 913 Ca -0.00 -1.22 -0.20 0.00 -0.26 0.00 0.00 58.87 57.19 3hgz n SER 913 Cb 0.22 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 3hgz n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hgz n GLN 914 N -0.50 -1.76 -0.04 4.33 1.13 0.13 -4.84 117.38 115.84 3hgz n GLN 914 Ca 0.22 0.96 -0.00 0.00 -1.94 0.00 0.00 57.00 56.23 3hgz n GLN 914 Cb 0.21 -5.61 -0.10 0.00 0.11 0.00 0.00 30.24 24.85 3hgz n GLN 914 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3hgz n GLN 915 N -2.97 1.25 -1.74 -1.09 6.02 0.05 -3.83 117.38 115.06 3hgz n GLN 915 Ca -0.23 -0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 56.53 3hgz n GLN 915 Cb 0.68 -1.32 -0.05 0.00 1.02 0.00 0.00 30.24 30.57 3hgz n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hgz n TYR 916 N -2.23 -0.51 -2.55 1.08 4.02 -0.38 -1.24 117.16 115.35 3hgz n TYR 916 Ca -0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.34 3hgz n TYR 916 Cb 0.64 -3.04 0.00 0.00 -0.02 0.00 0.00 39.34 36.92 3hgz n TYR 916 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3hgz n ASN 917 N -1.15 5.33 0.25 7.72 5.15 -1.26 -4.78 115.26 126.51 3hgz n ASN 917 Ca -0.17 -3.14 0.12 0.00 -0.60 0.00 0.00 54.58 50.79 3hgz n ASN 917 Cb 0.57 -1.46 0.61 0.00 -0.53 0.00 0.00 39.78 38.97 3hgz n ASN 917 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3hgz h PHE 918 N 5.91 0.00 -0.62 1.20 0.04 -1.97 -2.21 116.94 119.29 3hgz h PHE 918 Ca 0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.12 3hgz h PHE 918 Cb 0.67 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3hgz h PHE 918 CO 1.18 0.16 0.00 -3.47 -0.60 0.00 0.00 178.31 175.58 3hgz n ASP 919 N -3.47 5.34 -0.30 2.17 4.64 -1.26 -4.72 116.55 118.95 3hgz n ASP 919 Ca -0.01 -2.71 0.10 0.00 -1.38 0.00 0.00 54.79 50.80 3hgz n ASP 919 Cb 0.33 -0.64 0.27 0.00 -1.04 0.00 0.00 41.12 40.03 3hgz n ASP 919 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 3hgz h ARG 920 N 4.10 0.45 -0.83 -0.67 2.43 -1.80 -2.48 114.38 115.58 3hgz h ARG 920 Ca 0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3hgz h ARG 920 Cb 1.75 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 31.16 3hgz h ARG 920 CO 0.38 0.30 0.54 -0.44 -1.51 0.00 0.00 179.97 179.23 3hgz h ASP 921 N 0.46 0.95 -0.22 -3.80 3.32 -1.85 0.11 116.42 115.40 3hgz h ASP 921 Ca 0.51 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.45 3hgz h ASP 921 Cb 0.89 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 3hgz h ASP 921 CO -0.47 0.69 -0.18 0.78 -1.72 0.00 0.00 179.24 178.34 3hgz h ASN 922 N 1.12 0.54 -0.32 6.45 -0.26 -1.84 -1.02 115.58 120.25 3hgz h ASN 922 Ca 0.30 -0.46 0.01 0.00 -0.56 0.00 0.00 56.30 55.60 3hgz h ASN 922 Cb -0.12 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 36.97 3hgz h ASN 922 CO -0.06 0.89 0.19 0.74 -1.06 0.00 0.00 177.43 178.12 3hgz h THR 923 N 0.20 1.04 0.05 2.81 2.02 -1.40 -1.67 112.91 115.95 3hgz h THR 923 Ca 0.04 -0.13 -0.25 0.00 0.77 0.00 0.00 66.41 66.84 3hgz h THR 923 Cb 0.72 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3hgz h THR 923 CO 0.05 0.07 -1.06 -0.33 0.37 0.00 0.00 175.52 174.61 3hgz h GLU 924 N 0.38 0.46 -0.23 6.66 5.08 -0.75 -1.11 114.58 125.07 3hgz h GLU 924 Ca 0.12 -0.56 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 3hgz h GLU 924 Cb -0.00 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3hgz h GLU 924 CO -0.06 1.20 -0.09 0.28 -1.00 0.00 0.00 179.01 179.34 3hgz h VAL 925 N 0.23 1.30 -0.36 3.13 2.07 -1.23 0.95 116.25 122.33 3hgz h VAL 925 Ca -0.12 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.33 3hgz h VAL 925 Cb 1.72 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.99 3hgz h VAL 925 CO 0.19 0.35 -0.04 0.00 0.02 0.00 0.00 177.57 178.10 3hgz h ALA 926 N 0.73 0.29 -0.58 1.67 0.00 -1.27 -1.37 119.26 118.73 3hgz h ALA 926 Ca 0.05 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hgz h ALA 926 Cb 0.58 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3hgz h ALA 926 CO 0.03 -0.42 0.20 -0.92 0.00 0.00 0.00 179.25 178.14 3hgz h TYR 927 N 0.06 0.92 -0.76 0.00 3.20 -1.13 -2.91 116.97 116.35 3hgz h TYR 927 Ca 0.18 -0.09 0.15 0.00 3.14 0.00 0.00 58.73 62.11 3hgz h TYR 927 Cb 0.26 -0.27 -0.14 0.00 1.54 0.00 0.00 36.73 38.11 3hgz h TYR 927 CO -0.28 0.76 -0.24 1.25 -1.64 0.00 0.00 178.16 178.00 3hgz h LEU 928 N 0.82 -0.89 -1.75 2.82 6.46 0.06 -2.06 115.31 120.78 3hgz h LEU 928 Ca 0.19 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 58.19 3hgz h LEU 928 Cb 0.26 0.53 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 3hgz h LEU 928 CO -0.01 -0.27 0.12 0.11 -0.62 0.00 0.00 178.44 177.77 3hgz h LYS 929 N -0.04 0.00 0.00 1.25 1.57 -1.07 -0.19 116.57 118.09 3hgz h LYS 929 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3hgz h LYS 929 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3hgz h LYS 929 CO -0.80 0.00 -0.77 1.79 -0.57 0.00 0.00 179.45 179.10 3hgz h THR 930 N 0.00 0.00 -3.34 -0.16 1.35 -1.50 -3.47 112.91 105.79 3hgz h THR 930 Ca 0.00 -0.67 -0.53 0.00 -0.55 0.00 0.00 66.41 64.67 3hgz h THR 930 Cb 0.24 1.21 0.07 0.00 -1.73 0.00 0.00 68.15 67.93 3hgz h THR 930 CO 0.00 0.00 0.81 -0.76 -0.25 0.00 0.00 175.52 175.32 3hgz s LEU 931 N -4.62 4.37 0.29 3.87 1.02 -0.09 -5.01 118.68 118.51 3hgz s LEU 931 Ca 0.04 2.77 0.10 0.00 0.02 0.00 0.00 54.13 57.06 3hgz s LEU 931 Cb 0.12 -3.63 -0.05 0.00 0.02 0.00 0.00 46.19 42.65 3hgz s LEU 931 CO 0.75 -0.78 -0.07 0.42 0.02 0.00 0.00 176.35 176.69 3hgz s THR 932 N 0.04 2.85 0.36 5.49 -4.23 -1.26 -5.01 115.64 113.89 3hgz s THR 932 Ca 0.61 -2.11 0.13 0.00 -1.18 0.00 0.00 61.69 59.14 3hgz s THR 932 Cb -0.44 -2.64 0.35 0.00 1.34 0.00 0.00 72.50 71.11 3hgz s THR 932 CO 0.44 -0.33 1.79 0.50 -0.54 0.00 0.00 174.62 176.49 3hgz h LYS 933 N 2.00 0.53 -0.52 3.99 3.64 -1.98 0.87 116.57 125.11 3hgz h LYS 933 Ca -0.42 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.97 3hgz h LYS 933 Cb 1.25 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 3hgz h LYS 933 CO 0.62 0.35 -0.30 0.39 -2.27 0.00 0.00 179.45 178.24 3hgz n GLU 934 N -4.66 -0.23 -0.03 1.90 -0.58 -1.26 -2.01 120.64 113.78 3hgz n GLU 934 Ca 0.23 1.15 -0.09 0.00 -0.42 0.00 0.00 57.16 58.03 3hgz n GLU 934 Cb 0.71 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 3hgz n GLU 934 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3hgz h ASP 935 N 0.00 0.03 -0.36 1.62 3.32 -1.22 -1.43 116.42 118.39 3hgz h ASP 935 Ca 0.08 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.22 3hgz h ASP 935 Cb 0.21 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 3hgz h ASP 935 CO -0.49 0.04 0.01 0.40 -1.72 0.00 0.00 179.24 177.49 3hgz h ILE 936 N 0.12 0.74 -0.15 0.35 1.08 -1.38 -0.38 117.51 117.90 3hgz h ILE 936 Ca 0.07 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 3hgz h ILE 936 Cb 0.06 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 3hgz h ILE 936 CO -0.09 0.02 -0.03 0.40 -0.69 0.00 0.00 178.15 177.76 3hgz h ILE 937 N 0.11 0.86 -0.14 -0.67 1.08 -0.69 0.15 117.51 118.21 3hgz h ILE 937 Ca 0.17 -0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.69 3hgz h ILE 937 Cb 0.24 0.85 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 3hgz h ILE 937 CO -0.28 0.00 -0.34 0.11 -0.69 0.00 0.00 178.15 176.95 3hgz h LYS 938 N 0.01 -0.40 -0.43 2.37 1.57 -0.93 0.19 116.57 118.95 3hgz h LYS 938 Ca 0.07 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.95 3hgz h LYS 938 Cb 0.10 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 3hgz h LYS 938 CO -0.14 -0.27 0.02 0.35 -0.57 0.00 0.00 179.45 178.84 3hgz h PHE 939 N -0.41 0.02 -0.47 -1.35 3.57 -0.67 0.24 116.94 117.86 3hgz h PHE 939 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hgz h PHE 939 Cb 0.57 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3hgz h PHE 939 CO -0.43 -0.06 0.27 -0.92 -2.23 0.00 0.00 178.31 174.94 3hgz h TYR 940 N 0.14 0.64 0.00 0.41 5.03 -0.41 -0.59 116.97 122.19 3hgz h TYR 940 Ca 0.21 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.45 3hgz h TYR 940 Cb 0.29 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 3hgz h TYR 940 CO -0.26 0.47 -0.29 -0.22 -1.32 0.00 0.00 178.16 176.54 3hgz h LYS 941 N 0.63 0.00 0.02 1.82 3.64 0.40 0.17 116.57 123.25 3hgz h LYS 941 Ca 0.17 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.21 3hgz h LYS 941 Cb 0.03 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3hgz h LYS 941 CO -0.03 0.29 -2.00 -1.91 -2.27 0.00 0.00 179.45 173.53 3hgz n GLU 942 N -3.76 0.67 -0.10 1.90 2.13 0.76 -4.27 120.64 117.97 3hgz n GLU 942 Ca -0.01 0.20 -0.18 0.00 0.66 0.00 0.00 57.16 57.83 3hgz n GLU 942 Cb 0.39 -1.69 -0.09 0.00 0.27 0.00 0.00 31.44 30.33 3hgz n GLU 942 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3hgz n MET 943 N -3.07 0.48 -0.06 5.31 2.81 -0.24 -2.00 117.12 120.35 3hgz n MET 943 Ca -0.26 0.15 -0.08 0.00 -1.81 0.00 0.00 57.70 55.70 3hgz n MET 943 Cb 1.07 -1.35 -0.07 0.00 -0.71 0.00 0.00 33.22 32.16 3hgz n MET 943 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hgz n LEU 944 N -3.44 1.66 -4.56 4.03 4.77 -0.62 -3.49 117.00 115.35 3hgz n LEU 944 Ca -0.38 -0.04 -0.39 0.00 -0.03 0.00 0.00 56.01 55.16 3hgz n LEU 944 Cb 0.85 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.82 3hgz n LEU 944 CO 0.13 0.53 0.39 0.00 -1.33 0.00 0.00 177.39 177.11 3hgz n ALA 945 N -2.68 -0.29 -0.36 -1.18 0.00 -0.05 -4.80 120.51 111.15 3hgz n ALA 945 Ca -0.21 0.08 0.27 0.00 0.00 0.00 0.00 53.44 53.57 3hgz n ALA 945 Cb 0.80 -2.00 0.53 0.00 0.00 0.00 0.00 19.45 18.78 3hgz n ALA 945 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3hgz h VAL 946 N 0.76 0.35 -1.24 0.00 3.04 -1.95 0.08 116.25 117.28 3hgz h VAL 946 Ca -0.46 -0.10 -0.57 0.00 -1.01 0.00 0.00 66.70 64.56 3hgz h VAL 946 Cb 1.37 0.03 -0.42 0.00 -2.01 0.00 0.00 31.29 30.25 3hgz h VAL 946 CO 0.52 0.05 -0.77 -0.90 -1.01 0.00 0.00 177.57 175.46 3hgz n ASP 947 N -4.77 4.68 -4.77 3.17 3.85 -1.26 -5.01 116.55 112.44 3hgz n ASP 947 Ca 0.31 -3.69 -0.38 0.00 -0.71 0.00 0.00 54.79 50.31 3hgz n ASP 947 Cb 1.06 -0.42 -0.05 0.00 -1.35 0.00 0.00 41.12 40.36 3hgz n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hgz s ALA 948 N -3.55 3.23 0.46 2.12 0.00 0.01 -4.96 121.76 119.06 3hgz s ALA 948 Ca 0.48 0.69 0.12 0.00 0.00 0.00 0.00 51.96 53.25 3hgz s ALA 948 Cb 0.40 -3.25 1.04 0.00 0.00 0.00 0.00 23.12 21.31 3hgz s ALA 948 CO -0.11 -0.05 2.08 -1.00 0.00 0.00 0.00 175.76 176.68 3hgz h PRO 949 N 3.18 0.24 -0.41 0.00 0.13 -1.79 -3.19 132.00 130.16 3hgz h PRO 949 Ca -0.47 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 3hgz h PRO 949 Cb 1.21 -0.05 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 3hgz h PRO 949 CO 0.65 0.19 0.01 0.54 -0.23 0.00 0.00 178.00 179.16 3hgz n ARG 950 N -4.47 2.10 -2.19 0.86 1.74 -0.85 -3.58 116.66 110.28 3hgz n ARG 950 Ca -0.00 -3.11 -0.42 0.00 -0.77 0.00 0.00 57.85 53.55 3hgz n ARG 950 Cb 0.11 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.46 29.65 3hgz n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3hgz s ARG 951 N -3.18 4.27 -0.26 5.56 3.52 -1.21 -4.70 118.95 122.97 3hgz s ARG 951 Ca 0.46 2.01 0.01 0.00 -0.13 0.00 0.00 55.73 58.08 3hgz s ARG 951 Cb 0.40 -3.56 0.07 0.00 -1.56 0.00 0.00 34.95 30.30 3hgz s ARG 951 CO 0.03 -0.59 -0.02 -1.01 -0.81 0.00 0.00 175.30 172.90 3hgz s HIS 952 N 2.38 2.51 -0.10 5.12 3.76 -1.26 -0.01 115.29 127.69 3hgz s HIS 952 Ca 0.65 -1.93 0.01 0.00 -0.15 0.00 0.00 55.06 53.64 3hgz s HIS 952 Cb -0.33 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.60 3hgz s HIS 952 CO 0.27 -0.81 -0.11 0.21 -0.85 0.00 0.00 174.74 173.46 3hgz s LYS 953 N 1.35 1.72 -0.04 1.40 2.20 -0.87 -0.76 119.74 124.75 3hgz s LYS 953 Ca -0.02 -0.36 0.07 0.00 -0.36 0.00 0.00 55.97 55.30 3hgz s LYS 953 Cb -0.19 -1.60 -0.02 0.00 -1.51 0.00 0.00 37.83 34.52 3hgz s LYS 953 CO -0.09 -0.14 -0.25 0.08 -0.36 0.00 0.00 175.35 174.59 3hgz s VAL 954 N 1.25 2.00 -0.06 4.02 1.01 -0.35 -1.11 120.40 127.17 3hgz s VAL 954 Ca -0.03 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.92 3hgz s VAL 954 Cb -0.14 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3hgz s VAL 954 CO -0.04 0.56 -0.14 -0.44 0.00 0.00 0.00 175.10 175.04 3hgz s SER 955 N -0.38 1.94 -0.22 3.32 0.01 0.28 -0.59 113.70 118.05 3hgz s SER 955 Ca 0.03 -0.33 -0.08 0.00 1.31 0.00 0.00 55.95 56.88 3hgz s SER 955 Cb -0.12 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 3hgz s SER 955 CO 0.01 0.07 0.10 -0.69 0.41 0.00 0.00 173.24 173.14 3hgz s VAL 956 N 0.49 4.84 -0.30 3.43 1.01 0.11 -2.11 120.40 127.87 3hgz s VAL 956 Ca -0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 3hgz s VAL 956 Cb -0.15 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.02 3hgz s VAL 956 CO 0.04 0.38 0.04 -1.00 0.00 0.00 0.00 175.10 174.56 3hgz s HIS 957 N 1.03 3.18 -0.33 5.22 3.76 -0.48 -2.06 115.29 125.61 3hgz s HIS 957 Ca 0.05 -1.39 -0.12 0.00 -0.15 0.00 0.00 55.06 53.45 3hgz s HIS 957 Cb -0.14 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.34 3hgz s HIS 957 CO 0.04 -0.70 0.22 0.08 -0.85 0.00 0.00 174.74 173.53 3hgz s VAL 958 N 1.39 5.11 0.39 -0.90 1.01 0.23 -1.15 120.40 126.48 3hgz s VAL 958 Ca -0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 3hgz s VAL 958 Cb -0.18 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 3hgz s VAL 958 CO 0.00 0.02 0.88 -0.76 0.00 0.00 0.00 175.10 175.24 3hgz s LEU 959 N 1.70 3.98 0.83 3.92 1.43 0.93 -0.76 118.68 130.71 3hgz s LEU 959 Ca 0.06 1.55 -0.10 0.00 -1.03 0.00 0.00 54.13 54.61 3hgz s LEU 959 Cb -0.17 -4.38 0.09 0.00 0.03 0.00 0.00 46.19 41.76 3hgz s LEU 959 CO 0.09 -0.31 1.11 0.00 0.23 0.00 0.00 176.35 177.47 3hgz s ALA 960 N -2.11 1.91 0.18 4.21 0.00 -1.24 -0.81 121.76 123.90 3hgz s ALA 960 Ca 0.59 0.33 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 3hgz s ALA 960 Cb -0.09 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 19.82 3hgz s ALA 960 CO 0.15 -2.15 1.60 -0.09 0.00 0.00 0.00 175.76 175.26 3hgz h ARG 961 N -1.41 -0.17 0.00 0.00 2.43 -1.07 -2.86 114.38 111.30 3hgz h ARG 961 Ca -0.44 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.58 3hgz h ARG 961 Cb 1.25 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 3hgz h ARG 961 CO 0.49 -0.11 -1.25 0.93 -1.51 0.00 0.00 179.97 178.52 3hgz h GLU 962 N -0.17 0.00 -6.51 0.20 3.07 -1.88 -3.48 114.58 105.81 3hgz h GLU 962 Ca 0.22 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.50 3hgz h GLU 962 Cb 0.53 0.00 0.18 0.00 -0.84 0.00 0.00 28.75 28.62 3hgz h GLU 962 CO -0.61 0.35 -0.48 -0.12 -1.40 0.00 0.00 179.01 176.75 3hgz n MET 963 N -2.97 0.39 -2.00 2.33 1.56 -1.08 -4.99 117.12 110.36 3hgz n MET 963 Ca -0.08 0.16 -0.28 0.00 -0.27 0.00 0.00 57.70 57.24 3hgz n MET 963 Cb 0.83 -1.68 0.19 0.00 2.15 0.00 0.00 33.22 34.71 3hgz n MET 963 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3hgz n ASP 964 N 0.43 0.31 -4.70 6.12 8.00 -1.26 -4.80 116.55 120.65 3hgz n ASP 964 Ca 0.10 -1.59 -0.55 0.00 0.71 0.00 0.00 54.79 53.47 3hgz n ASP 964 Cb 0.49 -0.95 -0.06 0.00 -0.02 0.00 0.00 41.12 40.57 3hgz n ASP 964 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3hgz n SER 965 N -3.69 2.65 -4.50 -2.24 2.88 -1.26 -4.96 113.62 102.50 3hgz n SER 965 Ca 0.17 1.05 -0.43 0.00 -1.33 0.00 0.00 58.87 58.32 3hgz n SER 965 Cb 0.58 -1.21 -0.06 0.00 -0.75 0.00 0.00 64.21 62.77 3hgz n SER 965 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3hgz s ASN 966 N 3.56 6.30 0.48 -3.46 2.47 -1.26 -4.97 114.94 118.06 3hgz s ASN 966 Ca 0.96 -0.50 0.08 0.00 0.42 0.00 0.00 52.86 53.82 3hgz s ASN 966 Cb -0.96 -2.34 0.46 0.00 -1.45 0.00 0.00 41.25 36.95 3hgz s ASN 966 CO 0.61 -0.93 1.15 -0.65 -3.72 0.00 0.00 177.10 173.56 3hgz h PRO 967 N 9.02 0.00 -5.89 0.43 0.11 -2.02 -3.49 132.00 130.16 3hgz h PRO 967 Ca -0.26 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.66 3hgz h PRO 967 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hgz h PRO 967 CO 0.97 0.00 -0.50 0.28 -0.21 0.00 0.00 178.00 178.54 3hgz n VAL 968 N -2.23 -7.63 0.00 3.15 0.31 -1.26 -5.10 118.33 105.57 3hgz n VAL 968 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3hgz n VAL 968 Cb 0.65 -5.44 0.00 0.00 -0.91 0.00 0.00 33.84 28.14 3hgz n VAL 968 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3hgz n ASN 979 N -1.78 0.00 -3.99 4.52 6.94 -1.26 -4.99 115.26 114.69 3hgz n ASN 979 Ca -0.10 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.28 3hgz n ASN 979 Cb 0.57 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.85 3hgz n ASN 979 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3hgz s LEU 980 N 0.00 1.98 0.62 -4.53 1.43 -1.26 -5.12 118.68 111.81 3hgz s LEU 980 Ca 0.00 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 3hgz s LEU 980 Cb 0.00 -0.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 3hgz s LEU 980 CO 0.00 0.09 1.31 -1.54 0.23 0.00 0.00 176.35 176.44 3hgz n SER 981 N 2.95 2.25 -4.68 2.29 3.41 -1.26 -4.94 113.62 113.65 3hgz n SER 981 Ca -0.14 0.87 -0.43 0.00 -0.26 0.00 0.00 58.87 58.92 3hgz n SER 981 Cb 0.57 -1.56 -0.02 0.00 -0.26 0.00 0.00 64.21 62.93 3hgz n SER 981 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3hgz s GLN 982 N -3.24 4.34 0.15 4.33 2.00 -1.26 -4.99 119.66 120.99 3hgz s GLN 982 Ca 0.80 1.49 -0.23 0.00 -2.00 0.00 0.00 55.36 55.43 3hgz s GLN 982 Cb -0.39 -3.60 -0.08 0.00 0.80 0.00 0.00 33.01 29.74 3hgz s GLN 982 CO 0.43 -0.49 0.71 0.00 -0.50 0.00 0.00 175.29 175.44 3hgz s ALA 983 N 2.58 3.49 0.52 1.58 0.00 -1.26 -4.71 121.76 123.96 3hgz s ALA 983 Ca 0.50 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 3hgz s ALA 983 Cb -0.20 -2.84 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 3hgz s ALA 983 CO 0.15 0.33 1.02 -1.25 0.00 0.00 0.00 175.76 176.02 3hgz s PRO 984 N -1.29 3.72 0.10 0.00 0.04 -1.26 -4.98 135.00 131.34 3hgz s PRO 984 Ca 0.35 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 3hgz s PRO 984 Cb -0.21 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 3hgz s PRO 984 CO 0.23 -0.48 1.38 0.00 0.04 0.00 0.00 177.00 178.17 3hgz s ALA 985 N -2.31 3.57 -0.02 8.56 0.00 -1.26 -4.99 121.76 125.32 3hgz s ALA 985 Ca 0.64 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.69 3hgz s ALA 985 Cb -0.14 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3hgz s ALA 985 CO 0.27 -0.62 -0.00 -0.51 0.00 0.00 0.00 175.76 174.91 3hgz s LEU 986 N 1.18 3.51 0.83 0.00 1.43 -1.26 -5.10 118.68 119.27 3hgz s LEU 986 Ca 0.64 0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 3hgz s LEU 986 Cb -0.36 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 43.91 3hgz s LEU 986 CO 0.30 0.30 0.64 -2.65 0.23 0.00 0.00 176.35 175.17 3hgz n PRO 987 N 1.54 0.04 -2.20 1.29 -0.02 -1.26 -4.94 135.00 129.45 3hgz n PRO 987 Ca -0.15 0.07 -0.43 0.00 -2.02 0.00 0.00 63.50 60.97 3hgz n PRO 987 Cb 0.53 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 3hgz n PRO 987 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hgz s GLN 988 N -3.43 4.13 0.62 -0.52 2.00 -1.26 -5.00 119.66 116.20 3hgz s GLN 988 Ca 0.64 1.87 -0.10 0.00 -2.00 0.00 0.00 55.36 55.77 3hgz s GLN 988 Cb -0.28 -3.91 -0.03 0.00 0.80 0.00 0.00 33.01 29.59 3hgz s GLN 988 CO 0.60 -0.87 1.01 -1.25 -0.50 0.00 0.00 175.29 174.28 3hgz s PRO 989 N 3.94 3.43 -0.25 1.67 0.04 -1.26 -4.94 135.00 137.63 3hgz s PRO 989 Ca 0.65 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 3hgz s PRO 989 Cb -0.27 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3hgz s PRO 989 CO 0.24 -0.62 0.40 -2.00 0.04 0.00 0.00 177.00 175.06 3hgz s GLU 990 N -5.16 4.07 -0.73 4.56 2.12 -0.11 -4.94 118.70 118.51 3hgz s GLU 990 Ca 0.55 0.13 -0.22 0.00 0.36 0.00 0.00 54.97 55.80 3hgz s GLU 990 Cb -0.11 -3.62 0.09 0.00 0.26 0.00 0.00 34.13 30.75 3hgz s GLU 990 CO 0.52 -0.22 1.01 0.08 -0.54 0.00 0.00 175.26 176.11 3hgz s VAL 991 N 1.89 4.43 -0.31 3.70 1.01 -1.26 -1.72 120.40 128.13 3hgz s VAL 991 Ca 0.17 -0.69 -0.40 0.00 0.00 0.00 0.00 61.98 61.06 3hgz s VAL 991 Cb -0.15 -4.71 -0.16 0.00 0.00 0.00 0.00 36.38 31.36 3hgz s VAL 991 CO 0.09 -1.47 1.81 -0.38 0.00 0.00 0.00 175.10 175.15 3hgz n ILE 992 N 5.84 0.26 -0.04 2.22 5.41 -0.40 -4.83 119.36 127.82 3hgz n ILE 992 Ca 0.04 -0.07 0.01 0.00 1.00 0.00 0.00 62.75 63.72 3hgz n ILE 992 Cb 0.46 -1.20 -0.13 0.00 -0.71 0.00 0.00 39.64 38.06 3hgz n ILE 992 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3hgz n GLN 993 N 5.78 0.96 -3.69 0.38 -0.06 -1.26 -4.61 117.38 114.88 3hgz n GLN 993 Ca 0.30 -0.08 -0.11 0.00 -2.00 0.00 0.00 57.00 55.11 3hgz n GLN 993 Cb 0.12 -1.40 -0.12 0.00 -4.06 0.00 0.00 30.24 24.78 3hgz n GLN 993 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 3hgz s ASN 994 N -4.43 -0.19 0.31 1.69 3.84 -1.26 -5.04 114.94 109.86 3hgz s ASN 994 Ca -0.07 0.76 0.02 0.00 0.21 0.00 0.00 52.86 53.77 3hgz s ASN 994 Cb 0.08 0.80 0.50 0.00 -0.55 0.00 0.00 41.25 42.08 3hgz s ASN 994 CO 0.67 -0.21 1.84 -0.03 -2.79 0.00 0.00 177.10 176.59 3hgz h MET 995 N 7.66 0.66 -0.00 0.43 1.85 -2.00 -0.70 114.93 122.83 3hgz h MET 995 Ca -0.27 -0.14 -0.00 0.00 -0.61 0.00 0.00 59.70 58.67 3hgz h MET 995 Cb 1.14 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 33.08 3hgz h MET 995 CO 0.23 0.65 -0.00 1.15 -0.40 0.00 0.00 176.91 178.54 3hgz h THR 996 N 0.63 1.43 -0.44 -0.77 2.02 -1.98 -2.72 112.91 111.07 3hgz h THR 996 Ca 0.13 -1.25 0.09 0.00 0.77 0.00 0.00 66.41 66.15 3hgz h THR 996 Cb 0.34 2.28 -0.09 0.00 -1.74 0.00 0.00 68.15 68.93 3hgz h THR 996 CO 0.01 0.33 -0.21 -0.33 0.37 0.00 0.00 175.52 175.68 3hgz h GLU 997 N -0.53 -0.12 -0.27 6.66 5.08 -1.94 -0.56 114.58 122.91 3hgz h GLU 997 Ca 0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3hgz h GLU 997 Cb 0.53 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 3hgz h GLU 997 CO 0.00 -0.08 -0.18 0.35 -1.00 0.00 0.00 179.01 178.11 3hgz h PHE 998 N -0.12 -0.45 0.07 4.33 3.57 -1.12 0.42 116.94 123.66 3hgz h PHE 998 Ca 0.21 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3hgz h PHE 998 Cb 0.45 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.43 3hgz h PHE 998 CO -0.47 -0.25 -0.04 0.87 -2.23 0.00 0.00 178.31 176.20 3hgz h LYS 999 N -0.16 -0.10 -0.84 1.11 1.57 -1.15 -2.92 116.57 114.09 3hgz h LYS 999 Ca 0.14 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.12 3hgz h LYS 999 Cb 0.38 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 3hgz h LYS 999 CO -0.36 0.14 0.56 0.00 -0.57 0.00 0.00 179.45 179.22 3hgz h ARG 1000N -0.32 0.37 0.00 3.15 3.08 -0.91 -1.38 114.38 118.37 3hgz h ARG 1000Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hgz h ARG 1000Cb 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3hgz h ARG 1000CO 0.02 0.24 0.00 0.41 -1.07 0.00 0.00 179.97 179.57 3hgz n GLY 1001N -1.53 -0.94 3.27 0.04 0.00 0.12 -4.89 105.19 101.27 3hgz n GLY 1001Ca 0.17 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3hgz n GLY 1001CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hgz s LEU 1002N -2.09 2.45 0.86 0.99 1.43 -0.52 -5.07 118.68 116.72 3hgz s LEU 1002Ca 0.40 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 3hgz s LEU 1002Cb 0.19 -0.59 0.11 0.00 0.03 0.00 0.00 46.19 45.93 3hgz s LEU 1002CO 0.34 -0.15 1.12 -2.16 0.23 0.00 0.00 176.35 175.73 3hgz s PRO 1003N -2.96 1.55 0.00 1.29 0.04 -1.26 -4.85 135.00 128.81 3hgz s PRO 1003Ca 0.13 0.47 0.05 0.00 0.04 0.00 0.00 61.00 61.69 3hgz s PRO 1003Cb -0.04 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 3hgz s PRO 1003CO 0.04 -1.96 -0.14 -0.51 0.04 0.00 0.00 177.00 174.47 3hgz s LEU 1004N -5.94 2.79 0.92 -3.56 1.43 -1.26 -0.47 118.68 112.59 3hgz s LEU 1004Ca 0.62 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 3hgz s LEU 1004Cb -0.15 -1.61 0.14 0.00 0.03 0.00 0.00 46.19 44.61 3hgz s LEU 1004CO 0.54 0.29 1.10 -0.36 0.23 0.00 0.00 176.35 178.15 3hgz s PHE 1005N -0.88 1.97 1.32 0.29 0.40 -0.01 -4.84 117.98 116.24 3hgz s PHE 1005Ca 0.14 1.51 -0.20 0.00 -0.60 0.00 0.00 56.93 57.78 3hgz s PHE 1005Cb -0.11 -3.19 0.33 0.00 0.51 0.00 0.00 43.02 40.57 3hgz s PHE 1005CO 0.04 -2.64 0.98 -2.14 0.70 0.00 0.00 175.22 172.16 3hgz s PRO 1006N -4.75 -2.16 0.15 0.24 0.02 -1.26 -4.69 135.00 122.55 3hgz s PRO 1006Ca 0.65 0.26 0.01 0.00 0.02 0.00 0.00 61.00 61.93 3hgz s PRO 1006Cb -0.21 -1.46 -0.04 0.00 0.02 0.00 0.00 34.50 32.82 3hgz s PRO 1006CO 0.58 -4.40 0.32 -0.51 -0.33 0.00 0.00 177.00 172.66 3hgz s LEU 1007N -7.54 4.30 0.26 -5.54 1.02 -1.26 -4.79 118.68 105.14 3hgz s LEU 1007Ca 0.69 0.29 -0.29 0.00 0.02 0.00 0.00 54.13 54.83 3hgz s LEU 1007Cb -0.15 -3.03 -0.09 0.00 0.02 0.00 0.00 46.19 42.93 3hgz s LEU 1007CO 0.59 0.04 1.14 -0.69 0.02 0.00 0.00 176.35 177.45 3hgz s VAL 1008N -1.75 3.43 0.18 -1.59 1.01 -1.26 -5.00 120.40 115.41 3hgz s VAL 1008Ca 0.36 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 3hgz s VAL 1008Cb -0.11 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 3hgz s VAL 1008CO 0.28 0.31 1.21 -0.54 0.00 0.00 0.00 175.10 176.36 3hgz s LYS 1009N -1.23 4.48 0.52 2.72 -0.14 -1.26 -4.95 119.74 119.88 3hgz s LYS 1009Ca 0.47 1.89 -0.22 0.00 -1.36 0.00 0.00 55.97 56.75 3hgz s LYS 1009Cb -0.33 -3.24 -0.06 0.00 -1.68 0.00 0.00 37.83 32.52 3hgz s LYS 1009CO 0.41 -0.11 1.19 -2.30 -0.76 0.00 0.00 175.35 173.78 3hgz n PRO 1010N 2.59 1.46 0.00 -1.68 -0.02 -1.25 -4.84 135.00 131.27 3hgz n PRO 1010Ca 0.05 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 3hgz n PRO 1010Cb 0.45 -2.36 0.71 0.00 -0.02 0.00 0.00 33.50 32.28 3hgz n PRO 1010CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06