#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxt s THR 5 N 0.00 4.14 0.04 5.53 -4.23 -1.26 -4.09 115.64 115.77 1gxt s THR 5 Ca 0.00 1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 61.42 1gxt s THR 5 Cb 0.00 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1gxt s THR 5 CO 0.00 -0.58 0.26 -0.94 -0.54 0.00 0.00 174.62 172.81 1gxt s SER 6 N -2.90 -0.06 -0.04 3.99 1.04 -1.09 -4.98 113.70 109.67 1gxt s SER 6 Ca 0.61 -0.25 -0.26 0.00 0.48 0.00 0.00 55.95 56.54 1gxt s SER 6 Cb -0.13 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1gxt s SER 6 CO 0.34 -0.58 0.81 0.00 0.98 0.00 0.00 173.24 174.79 1gxt n GLY 8 N 3.00 3.69 2.97 0.00 0.00 0.32 -4.93 105.19 110.23 1gxt n GLY 8 Ca 0.02 -2.32 -0.20 0.00 0.00 0.00 0.00 46.02 43.51 1gxt n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gxt s VAL 9 N -2.46 0.71 -0.18 1.61 0.11 -0.73 -1.89 120.40 117.57 1gxt s VAL 9 Ca 0.01 -0.29 -0.06 0.00 -2.93 0.00 0.00 61.98 58.71 1gxt s VAL 9 Cb 0.00 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1gxt s VAL 9 CO 0.01 0.24 0.01 -1.10 -3.33 0.00 0.00 175.10 170.93 1gxt s GLN 10 N 0.40 3.77 -0.12 1.54 -0.21 0.03 -0.79 119.66 124.29 1gxt s GLN 10 Ca -0.06 -0.45 -0.01 0.00 0.02 0.00 0.00 55.36 54.86 1gxt s GLN 10 Cb -0.10 -3.08 -0.02 0.00 1.00 0.00 0.00 33.01 30.80 1gxt s GLN 10 CO 0.01 0.19 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.77 1gxt s LEU 11 N 0.56 3.05 -0.28 2.90 1.43 0.10 -1.41 118.68 125.03 1gxt s LEU 11 Ca 0.00 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1gxt s LEU 11 Cb -0.14 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.42 1gxt s LEU 11 CO 0.02 0.24 -0.02 -0.60 0.23 0.00 0.00 176.35 176.22 1gxt s ARG 12 N -0.06 2.69 -0.22 1.70 3.52 0.27 -0.66 118.95 126.19 1gxt s ARG 12 Ca -0.00 -1.09 -0.04 0.00 -0.13 0.00 0.00 55.73 54.46 1gxt s ARG 12 Cb -0.13 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1gxt s ARG 12 CO 0.03 -0.50 -0.02 0.42 -0.81 0.00 0.00 175.30 174.42 1gxt s ILE 13 N 1.31 3.63 0.15 4.11 1.01 0.23 -1.15 121.20 130.50 1gxt s ILE 13 Ca -0.02 -0.41 0.11 0.00 0.00 0.00 0.00 60.65 60.33 1gxt s ILE 13 Cb -0.18 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1gxt s ILE 13 CO -0.02 0.42 -0.24 -0.13 0.00 0.00 0.00 174.94 174.96 1gxt s ARG 14 N 1.34 1.39 0.00 2.79 0.52 -0.34 -0.72 118.95 123.94 1gxt s ARG 14 Ca 0.04 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1gxt s ARG 14 Cb -0.14 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.57 1gxt s ARG 14 CO -0.01 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.12 1gxt n GLY 15 N 0.64 0.20 3.40 -3.53 0.00 -1.26 -0.20 105.19 104.45 1gxt n GLY 15 Ca -0.16 -1.09 -0.45 0.00 0.00 0.00 0.00 46.02 44.32 1gxt n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gxt s LYS 16 N -2.00 3.50 -0.02 1.61 2.20 0.73 -4.81 119.74 120.95 1gxt s LYS 16 Ca 0.00 -1.91 0.08 0.00 -0.36 0.00 0.00 55.97 53.78 1gxt s LYS 16 Cb 0.00 -4.63 0.14 0.00 -1.51 0.00 0.00 37.83 31.83 1gxt s LYS 16 CO 0.00 -1.57 1.06 1.33 -0.36 0.00 0.00 175.35 175.81 1gxt n VAL 17 N 4.99 0.21 -3.83 4.02 0.24 -1.26 -1.36 118.33 121.33 1gxt n VAL 17 Ca 0.15 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 1gxt n VAL 17 Cb 0.47 0.55 -0.12 0.00 -1.47 0.00 0.00 33.84 33.27 1gxt n VAL 17 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gxt s GLN 18 N -0.31 0.26 -0.46 7.34 -2.07 -1.26 -4.63 119.66 118.52 1gxt s GLN 18 Ca 0.12 0.05 0.00 0.00 -1.82 0.00 0.00 55.36 53.72 1gxt s GLN 18 Cb 0.13 0.12 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1gxt s GLN 18 CO -0.04 -0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 1gxt n GLY 19 N 2.59 0.71 0.00 2.60 0.00 -1.26 -4.88 105.19 104.95 1gxt n GLY 19 Ca -0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1gxt n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gxt n VAL 20 N -2.81 0.29 -1.35 1.61 0.24 -1.26 -4.99 118.33 110.06 1gxt n VAL 20 Ca -0.04 -0.33 -0.01 0.00 -2.04 0.00 0.00 64.34 61.91 1gxt n VAL 20 Cb 0.17 0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 33.54 1gxt n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gxt n GLY 21 N -0.15 0.43 0.17 7.63 0.00 -1.26 -4.65 105.19 107.36 1gxt n GLY 21 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 1gxt n GLY 21 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1gxt h PHE 22 N 0.00 0.68 -0.47 1.61 3.57 -1.94 -1.13 116.94 119.25 1gxt h PHE 22 Ca -0.03 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 1gxt h PHE 22 Cb 0.38 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1gxt h PHE 22 CO 0.03 1.02 0.25 0.00 -2.23 0.00 0.00 178.31 177.38 1gxt h ARG 23 N 0.14 0.66 -0.94 1.11 3.08 -1.94 -0.24 114.38 116.26 1gxt h ARG 23 Ca -0.01 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1gxt h ARG 23 Cb 1.02 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 1gxt h ARG 23 CO 0.09 0.53 0.62 -1.35 -1.07 0.00 0.00 179.97 178.79 1gxt h PRO 24 N 0.62 1.22 -0.27 0.04 0.11 -1.98 0.07 132.00 131.81 1gxt h PRO 24 Ca 0.16 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.21 1gxt h PRO 24 Cb 0.07 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 30.88 1gxt h PRO 24 CO -0.03 0.81 0.15 0.35 -0.21 0.00 0.00 178.00 179.08 1gxt h PHE 25 N 1.26 0.29 -0.53 0.65 3.57 -0.84 -0.80 116.94 120.55 1gxt h PHE 25 Ca 0.35 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.87 1gxt h PHE 25 Cb -0.13 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1gxt h PHE 25 CO -0.00 0.17 0.34 0.28 -2.23 0.00 0.00 178.31 176.87 1gxt h VAL 26 N 0.32 1.10 -0.38 1.41 2.07 -0.66 -0.64 116.25 119.48 1gxt h VAL 26 Ca 0.11 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1gxt h VAL 26 Cb -0.00 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1gxt h VAL 26 CO -0.05 0.12 0.14 -0.25 0.02 0.00 0.00 177.57 177.56 1gxt h TRP 27 N 0.68 0.26 -0.63 1.57 7.01 -0.73 -0.06 115.95 124.04 1gxt h TRP 27 Ca 0.20 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.14 1gxt h TRP 27 Cb -0.04 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1gxt h TRP 27 CO -0.05 0.11 0.10 0.37 -2.79 0.00 0.00 178.44 176.18 1gxt h GLN 28 N 0.31 1.05 -0.51 2.65 5.75 -0.81 0.12 115.11 123.67 1gxt h GLN 28 Ca 0.17 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1gxt h GLN 28 Cb 0.14 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1gxt h GLN 28 CO -0.16 0.97 0.26 1.25 -2.65 0.00 0.00 178.83 178.50 1gxt h LEU 29 N 0.96 0.65 -1.04 -2.39 5.85 -0.77 -1.01 115.31 117.56 1gxt h LEU 29 Ca 0.19 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1gxt h LEU 29 Cb 0.44 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1gxt h LEU 29 CO 0.01 0.58 0.35 0.00 -0.34 0.00 0.00 178.44 179.05 1gxt h ALA 30 N 1.10 1.25 -0.18 1.25 0.00 -0.62 -0.45 119.26 121.61 1gxt h ALA 30 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1gxt h ALA 30 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1gxt h ALA 30 CO -0.02 0.58 0.09 1.96 0.00 0.00 0.00 179.25 181.85 1gxt h GLN 31 N 1.03 0.27 -0.71 0.00 1.08 -0.60 0.82 115.11 117.00 1gxt h GLN 31 Ca 0.25 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.44 1gxt h GLN 31 Cb 0.10 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 1gxt h GLN 31 CO -0.03 0.30 0.47 1.96 -0.95 0.00 0.00 178.83 180.57 1gxt h GLN 32 N 0.17 0.84 -0.03 1.46 4.20 -0.80 -2.59 115.11 118.36 1gxt h GLN 32 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1gxt h GLN 32 Cb 0.12 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1gxt h GLN 32 CO -0.01 0.55 0.00 1.28 -0.67 0.00 0.00 178.83 179.99 1gxt n LEU 33 N -4.45 1.54 -3.56 1.46 4.77 -0.21 -4.96 117.00 111.58 1gxt n LEU 33 Ca 0.09 -0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 55.33 1gxt n LEU 33 Cb 0.12 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1gxt n LEU 33 CO 0.35 0.27 0.14 -3.20 -1.33 0.00 0.00 177.39 173.61 1gxt n ASN 34 N 0.21 -3.72 -4.95 -1.43 5.15 0.07 -4.99 115.26 105.60 1gxt n ASN 34 Ca 0.19 -0.63 -0.25 0.00 -0.60 0.00 0.00 54.58 53.29 1gxt n ASN 34 Cb 0.35 -4.87 -0.03 0.00 -0.53 0.00 0.00 39.78 34.71 1gxt n ASN 34 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1gxt s LEU 35 N -6.82 4.33 0.04 1.20 1.43 0.00 -5.04 118.68 113.83 1gxt s LEU 35 Ca 0.27 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 1gxt s LEU 35 Cb -0.12 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1gxt s LEU 35 CO 0.75 0.03 -0.17 -1.00 0.23 0.00 0.00 176.35 176.19 1gxt s HIS 36 N -1.79 1.46 -2.88 0.29 3.76 -1.26 -4.22 115.29 110.65 1gxt s HIS 36 Ca 0.35 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 1gxt s HIS 36 Cb -0.11 -0.87 0.00 0.00 1.11 0.00 0.00 32.58 32.72 1gxt s HIS 36 CO 0.29 0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 1gxt n GLY 37 N 1.89 0.59 3.67 -2.22 0.00 -0.47 -1.21 105.19 107.44 1gxt n GLY 37 Ca -0.18 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 1gxt n GLY 37 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gxt s ASP 38 N -4.00 -0.25 0.01 1.61 1.47 -0.36 -1.80 116.67 113.37 1gxt s ASP 38 Ca 0.00 -0.60 0.03 0.00 1.18 0.00 0.00 52.55 53.16 1gxt s ASP 38 Cb 0.00 0.64 -0.01 0.00 -0.34 0.00 0.00 42.92 43.21 1gxt s ASP 38 CO 0.00 -1.19 -0.09 0.54 0.68 0.00 0.00 175.17 175.12 1gxt s VAL 39 N -3.91 0.67 0.10 2.11 0.11 -0.54 -0.55 120.40 118.39 1gxt s VAL 39 Ca 0.12 -0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 58.40 1gxt s VAL 39 Cb -0.03 -0.61 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1gxt s VAL 39 CO 0.03 0.02 0.42 0.00 -3.33 0.00 0.00 175.10 172.24 1gxt s ASN 41 N -2.55 5.16 -0.13 0.00 3.84 -1.26 -0.35 114.94 119.65 1gxt s ASN 41 Ca 0.00 -0.93 0.15 0.00 0.21 0.00 0.00 52.86 52.29 1gxt s ASN 41 Cb 0.01 -1.86 0.48 0.00 -0.55 0.00 0.00 41.25 39.33 1gxt s ASN 41 CO -0.09 -0.25 1.39 -0.90 -2.79 0.00 0.00 177.10 174.46 1gxt n ASP 42 N 4.82 3.68 0.00 -4.21 5.68 -1.16 -4.95 116.55 120.41 1gxt n ASP 42 Ca -0.14 -2.71 0.00 0.00 -0.50 0.00 0.00 54.79 51.44 1gxt n ASP 42 Cb 0.46 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1gxt n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gxt n GLY 43 N -0.15 0.85 2.56 6.12 0.00 -1.26 -4.90 105.19 108.41 1gxt n GLY 43 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1gxt n GLY 43 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gxt n ASP 44 N 0.00 3.78 0.00 1.61 2.03 -1.26 -5.07 116.55 117.63 1gxt n ASP 44 Ca 0.00 -3.45 0.00 0.00 0.52 0.00 0.00 54.79 51.86 1gxt n ASP 44 Cb 0.00 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1gxt n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gxt n GLY 45 N -0.33 -1.75 3.57 0.27 0.00 -1.26 -4.81 105.19 100.87 1gxt n GLY 45 Ca 0.31 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1gxt n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gxt s VAL 46 N 0.00 4.62 -0.19 1.61 1.01 0.11 -3.01 120.40 124.54 1gxt s VAL 46 Ca 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 1gxt s VAL 46 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1gxt s VAL 46 CO 0.00 0.41 0.07 -0.70 0.00 0.00 0.00 175.10 174.88 1gxt s GLU 47 N 0.81 3.95 -0.19 2.72 2.12 0.52 -0.60 118.70 128.03 1gxt s GLU 47 Ca 0.04 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 1gxt s GLU 47 Cb -0.14 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.02 1gxt s GLU 47 CO 0.02 0.21 -0.15 0.08 -0.54 0.00 0.00 175.26 174.88 1gxt s VAL 48 N 0.55 2.55 -0.17 3.70 1.01 0.16 -1.30 120.40 126.91 1gxt s VAL 48 Ca 0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1gxt s VAL 48 Cb -0.13 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1gxt s VAL 48 CO 0.01 0.50 -0.03 -0.13 0.00 0.00 0.00 175.10 175.46 1gxt s ARG 49 N 1.25 3.67 0.07 2.72 0.52 0.29 0.02 118.95 127.49 1gxt s ARG 49 Ca 0.03 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.79 1gxt s ARG 49 Cb -0.14 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 1gxt s ARG 49 CO -0.08 0.19 -0.17 -0.51 0.02 0.00 0.00 175.30 174.76 1gxt s LEU 50 N 0.51 2.24 0.06 2.53 1.43 0.03 -1.22 118.68 124.26 1gxt s LEU 50 Ca -0.03 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1gxt s LEU 50 Cb -0.14 -0.69 -0.31 0.00 0.03 0.00 0.00 46.19 45.08 1gxt s LEU 50 CO 0.03 0.02 1.09 -0.09 0.23 0.00 0.00 176.35 177.62 1gxt h ARG 51 N 4.50 0.39 -6.65 1.70 2.43 -1.46 -1.95 114.38 113.34 1gxt h ARG 51 Ca -0.41 -0.65 -0.44 0.00 -0.81 0.00 0.00 59.98 57.66 1gxt h ARG 51 Cb 1.18 0.24 0.03 0.00 -0.42 0.00 0.00 29.97 31.00 1gxt h ARG 51 CO 0.42 1.31 -0.14 -1.21 -1.51 0.00 0.00 179.97 178.84 1gxt s GLU 52 N -2.65 2.88 0.26 0.20 8.01 -1.26 -4.73 118.70 121.41 1gxt s GLU 52 Ca -0.06 -0.76 -0.30 0.00 0.01 0.00 0.00 54.97 53.86 1gxt s GLU 52 Cb 0.06 -2.60 -0.10 0.00 -4.31 0.00 0.00 34.13 27.17 1gxt s GLU 52 CO 0.91 -0.35 1.49 -0.51 0.01 0.00 0.00 175.26 176.80 1gxt s ASP 53 N -4.29 6.58 0.00 -0.19 1.01 -1.26 -4.72 116.67 113.79 1gxt s ASP 53 Ca 0.51 2.74 0.21 0.00 0.71 0.00 0.00 52.55 56.72 1gxt s ASP 53 Cb -0.10 -2.62 0.88 0.00 1.01 0.00 0.00 42.92 42.09 1gxt s ASP 53 CO 0.36 -0.76 1.61 -0.81 0.21 0.00 0.00 175.17 175.78 1gxt n PRO 54 N 2.38 1.53 -0.06 8.23 -0.04 -1.26 -4.65 135.00 141.12 1gxt n PRO 54 Ca 0.07 -0.79 -0.11 0.00 -0.04 0.00 0.00 63.50 62.63 1gxt n PRO 54 Cb 0.39 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 1gxt n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1gxt h GLU 55 N 1.62 0.31 -0.37 0.54 3.07 -1.99 -0.33 114.58 117.42 1gxt h GLU 55 Ca 0.00 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 1gxt h GLU 55 Cb 0.35 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1gxt h GLU 55 CO 0.00 0.46 0.10 0.28 -1.40 0.00 0.00 179.01 178.45 1gxt h VAL 56 N 0.10 1.22 -0.62 3.13 2.07 -2.00 -1.31 116.25 118.83 1gxt h VAL 56 Ca 0.06 -0.74 0.13 0.00 0.82 0.00 0.00 66.70 66.97 1gxt h VAL 56 Cb 0.30 1.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 1gxt h VAL 56 CO 0.00 0.25 0.03 0.15 0.02 0.00 0.00 177.57 178.02 1gxt h PHE 57 N 0.44 0.01 -0.56 1.57 3.57 -1.83 -1.48 116.94 118.66 1gxt h PHE 57 Ca 0.12 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1gxt h PHE 57 Cb 0.29 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1gxt h PHE 57 CO 0.01 -0.15 0.08 1.25 -2.23 0.00 0.00 178.31 177.28 1gxt h LEU 58 N 0.14 0.90 -0.37 0.59 5.85 -0.53 0.18 115.31 122.06 1gxt h LEU 58 Ca 0.33 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1gxt h LEU 58 Cb 0.53 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1gxt h LEU 58 CO -0.52 0.93 -0.02 0.58 -0.34 0.00 0.00 178.44 179.08 1gxt h VAL 59 N 0.82 0.70 0.00 1.05 2.07 -0.90 -2.39 116.25 117.59 1gxt h VAL 59 Ca 0.17 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.59 1gxt h VAL 59 Cb 0.43 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1gxt h VAL 59 CO 0.01 0.01 -0.35 1.56 0.02 0.00 0.00 177.57 178.83 1gxt h GLN 60 N 0.07 0.00 -0.00 1.57 4.20 -0.90 -1.64 115.11 118.40 1gxt h GLN 60 Ca 0.18 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1gxt h GLN 60 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1gxt h GLN 60 CO -0.32 0.35 -0.06 1.25 -0.67 0.00 0.00 178.83 179.38 1gxt h LEU 61 N 0.00 -0.17 -0.15 1.46 5.85 -0.37 -0.60 115.31 121.33 1gxt h LEU 61 Ca -0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1gxt h LEU 61 Cb 1.23 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1gxt h LEU 61 CO 0.05 -0.09 -0.07 1.88 -0.34 0.00 0.00 178.44 179.87 1gxt h TYR 62 N -0.10 0.35 -0.10 1.25 -1.99 -1.27 -2.49 116.97 112.62 1gxt h TYR 62 Ca 0.03 -0.09 -0.11 0.00 2.00 0.00 0.00 58.73 60.56 1gxt h TYR 62 Cb 0.13 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1gxt h TYR 62 CO -0.13 0.63 -0.42 1.96 -0.00 0.00 0.00 178.16 180.20 1gxt h GLN 63 N -0.02 0.23 -0.28 4.88 1.08 -1.13 -3.21 115.11 116.67 1gxt h GLN 63 Ca 0.03 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1gxt h GLN 63 Cb 0.53 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1gxt h GLN 63 CO 0.02 0.62 0.00 0.72 -0.95 0.00 0.00 178.83 179.24 1gxt n HIS 64 N -4.02 0.62 -1.53 2.96 8.25 -0.25 -5.03 115.22 116.23 1gxt n HIS 64 Ca -0.02 -0.67 -0.56 0.00 -0.26 0.00 0.00 57.72 56.21 1gxt n HIS 64 Cb 0.48 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.37 1gxt n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gxt n PRO 66 N 1.79 0.12 0.04 0.00 -0.02 -1.26 -4.88 135.00 130.79 1gxt n PRO 66 Ca 0.19 0.11 -0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1gxt n PRO 66 Cb 0.13 -2.28 0.21 0.00 -0.02 0.00 0.00 33.50 31.54 1gxt n PRO 66 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1gxt h PRO 67 N -0.94 0.41 0.00 0.52 0.13 -1.91 -0.50 132.00 129.71 1gxt h PRO 67 Ca -0.46 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1gxt h PRO 67 Cb 1.30 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1gxt h PRO 67 CO 0.44 0.67 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.81 1gxt h LEU 68 N 0.36 0.00-10.47 1.56 3.38 -1.90 -3.46 115.31 104.78 1gxt h LEU 68 Ca 0.05 -0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.55 1gxt h LEU 68 Cb 0.71 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.52 1gxt h LEU 68 CO 0.05 0.00 0.18 0.00 0.09 0.00 0.00 178.44 178.76 1gxt s ALA 69 N -3.12 3.29 -0.20 1.53 0.00 -0.20 -4.95 121.76 118.12 1gxt s ALA 69 Ca 0.10 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 1gxt s ALA 69 Cb 0.11 -2.58 0.09 0.00 0.00 0.00 0.00 23.12 20.75 1gxt s ALA 69 CO 0.61 -0.93 0.43 0.50 0.00 0.00 0.00 175.76 176.37 1gxt s ARG 70 N -5.05 0.35 -0.29 0.00 3.52 -0.47 -4.82 118.95 112.20 1gxt s ARG 70 Ca 0.56 1.02 -0.15 0.00 -0.13 0.00 0.00 55.73 57.03 1gxt s ARG 70 Cb -0.11 0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.56 1gxt s ARG 70 CO 0.45 -0.24 0.37 0.42 -0.81 0.00 0.00 175.30 175.49 1gxt s ILE 71 N 2.45 5.17 -0.14 4.11 1.01 -1.26 -0.20 121.20 132.35 1gxt s ILE 71 Ca -0.03 0.43 0.13 0.00 0.00 0.00 0.00 60.65 61.18 1gxt s ILE 71 Cb -0.11 -3.73 -0.24 0.00 0.01 0.00 0.00 42.46 38.39 1gxt s ILE 71 CO -0.13 0.09 0.29 0.47 0.00 0.00 0.00 174.94 175.66 1gxt n ASP 72 N 5.35 0.65 -3.51 3.58 8.00 0.73 -4.97 116.55 126.38 1gxt n ASP 72 Ca -0.09 0.16 -0.17 0.00 0.71 0.00 0.00 54.79 55.41 1gxt n ASP 72 Cb 0.50 0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.89 1gxt n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1gxt s SER 73 N -5.92 -0.63 -0.05 -2.24 1.04 -1.00 -5.00 113.70 99.91 1gxt s SER 73 Ca -0.11 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1gxt s SER 73 Cb 0.07 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.75 1gxt s SER 73 CO 0.80 -0.65 -0.02 -0.69 0.98 0.00 0.00 173.24 173.66 1gxt s VAL 74 N -1.59 0.41 0.09 5.02 1.01 -1.26 -1.20 120.40 122.88 1gxt s VAL 74 Ca -0.09 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1gxt s VAL 74 Cb -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1gxt s VAL 74 CO 0.06 0.22 -0.12 -1.61 0.00 0.00 0.00 175.10 173.65 1gxt s GLU 75 N 1.26 2.10 0.04 2.72 2.02 -0.30 -4.94 118.70 121.59 1gxt s GLU 75 Ca -0.06 -1.02 0.05 0.00 0.02 0.00 0.00 54.97 53.96 1gxt s GLU 75 Cb -0.14 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 1gxt s GLU 75 CO -0.02 0.51 -0.14 -0.98 0.02 0.00 0.00 175.26 174.65 1gxt s ARG 76 N -2.04 0.94 0.02 1.61 1.70 -1.26 -0.57 118.95 119.36 1gxt s ARG 76 Ca 0.20 -0.75 -0.15 0.00 -0.47 0.00 0.00 55.73 54.55 1gxt s ARG 76 Cb -0.11 -0.95 0.02 0.00 -0.57 0.00 0.00 34.95 33.35 1gxt s ARG 76 CO 0.12 0.23 0.33 -1.83 -1.08 0.00 0.00 175.30 173.07 1gxt s GLU 77 N -1.12 0.78 0.58 3.89 -1.05 -0.50 -5.00 118.70 116.27 1gxt s GLU 77 Ca 0.02 -0.36 -0.13 0.00 -0.15 0.00 0.00 54.97 54.35 1gxt s GLU 77 Cb -0.08 0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 33.90 1gxt s GLU 77 CO 0.01 -0.24 1.01 -1.25 0.95 0.00 0.00 175.26 175.74 1gxt s PRO 78 N -2.08 3.71 0.32 -4.83 0.04 -1.26 -0.79 135.00 130.10 1gxt s PRO 78 Ca -0.08 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 61.61 1gxt s PRO 78 Cb -0.02 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1gxt s PRO 78 CO -0.00 -0.46 0.66 -0.59 0.04 0.00 0.00 177.00 176.65 1gxt s PHE 79 N -2.99 0.20 -0.22 0.56 -0.12 -0.79 -4.82 117.98 109.81 1gxt s PHE 79 Ca 0.56 -0.69 -0.05 0.00 -0.05 0.00 0.00 56.93 56.70 1gxt s PHE 79 Cb -0.11 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1gxt s PHE 79 CO 0.46 -1.30 0.01 0.42 -0.05 0.00 0.00 175.22 174.77 1gxt s ILE 80 N -3.25 3.96 0.24 -4.49 -1.09 -1.26 -0.52 121.20 114.78 1gxt s ILE 80 Ca 0.18 -0.30 -0.30 0.00 -2.23 0.00 0.00 60.65 57.99 1gxt s ILE 80 Cb -0.04 -2.81 -0.09 0.00 -1.58 0.00 0.00 42.46 37.94 1gxt s ILE 80 CO 0.11 0.40 1.32 0.26 -1.23 0.00 0.00 174.94 175.80 1gxt s TRP 81 N 1.26 3.20 0.11 3.97 0.52 0.25 -4.91 118.94 123.34 1gxt s TRP 81 Ca 0.04 1.25 -0.01 0.00 0.02 0.00 0.00 56.10 57.40 1gxt s TRP 81 Cb -0.15 -3.63 -0.18 0.00 -1.15 0.00 0.00 33.47 28.36 1gxt s TRP 81 CO 0.01 -1.93 1.25 0.66 0.02 0.00 0.00 176.95 176.96 1gxt h SER 82 N 4.86 0.32 -3.82 2.95 4.64 -1.87 -2.88 113.55 117.74 1gxt h SER 82 Ca -0.46 -0.31 -0.16 0.00 -0.47 0.00 0.00 61.79 60.39 1gxt h SER 82 Cb 1.22 -0.10 -0.26 0.00 -0.31 0.00 0.00 62.40 62.95 1gxt h SER 82 CO 0.75 1.19 -0.41 -1.10 -0.87 0.00 0.00 176.83 176.38 1gxt s GLN 83 N -2.88 0.30 0.36 4.77 1.11 -1.26 -4.09 119.66 117.97 1gxt s GLN 83 Ca -0.03 0.36 -0.26 0.00 0.01 0.00 0.00 55.36 55.44 1gxt s GLN 83 Cb 0.09 0.15 -0.09 0.00 -1.01 0.00 0.00 33.01 32.14 1gxt s GLN 83 CO 0.86 -0.04 1.07 -0.51 0.01 0.00 0.00 175.29 176.68 1gxt s LEU 84 N 0.15 4.28 0.36 2.90 1.43 -1.26 -5.00 118.68 121.54 1gxt s LEU 84 Ca -0.00 2.14 -0.25 0.00 -1.03 0.00 0.00 54.13 54.98 1gxt s LEU 84 Cb -0.02 -3.99 -0.10 0.00 0.03 0.00 0.00 46.19 42.12 1gxt s LEU 84 CO 0.00 -0.39 1.00 -2.16 0.23 0.00 0.00 176.35 175.03 1gxt s PRO 85 N -2.13 4.39 0.00 1.29 0.04 -1.26 -4.95 135.00 132.38 1gxt s PRO 85 Ca 0.53 1.42 0.11 0.00 0.04 0.00 0.00 61.00 63.10 1gxt s PRO 85 Cb -0.26 -2.68 0.12 0.00 0.04 0.00 0.00 34.50 31.73 1gxt s PRO 85 CO 0.33 0.08 0.91 0.25 0.04 0.00 0.00 177.00 178.61 1gxt n THR 86 N 0.26 0.19 -4.06 1.26 -2.24 -1.26 -4.73 114.28 103.69 1gxt n THR 86 Ca 0.03 -0.60 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1gxt n THR 86 Cb 0.50 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.76 1gxt n THR 86 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1gxt s GLU 87 N -0.91 1.66 -0.17 -0.78 2.02 -1.26 -5.04 118.70 114.22 1gxt s GLU 87 Ca 0.14 -1.52 -0.00 0.00 0.02 0.00 0.00 54.97 53.61 1gxt s GLU 87 Cb 0.09 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.76 1gxt s GLU 87 CO 0.14 -0.67 -0.14 0.12 0.02 0.00 0.00 175.26 174.72 1gxt s PHE 88 N -3.61 2.81 0.08 1.61 5.36 -1.26 -1.37 117.98 121.60 1gxt s PHE 88 Ca 0.28 -1.18 0.04 0.00 -0.96 0.00 0.00 56.93 55.12 1gxt s PHE 88 Cb 0.01 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.72 1gxt s PHE 88 CO 0.14 -0.57 -0.12 0.99 -1.46 0.00 0.00 175.22 174.20 1gxt s THR 89 N 1.06 0.98 -0.19 0.12 2.01 -0.74 -4.94 115.64 113.93 1gxt s THR 89 Ca -0.01 -1.40 -0.21 0.00 0.31 0.00 0.00 61.69 60.38 1gxt s THR 89 Cb -0.15 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 1gxt s THR 89 CO -0.04 -0.37 0.65 -0.63 -0.69 0.00 0.00 174.62 173.54 1gxt s ILE 90 N -1.72 5.01 0.00 1.82 1.01 -1.26 -1.46 121.20 124.60 1gxt s ILE 90 Ca -0.00 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.87 1gxt s ILE 90 Cb -0.07 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1gxt s ILE 90 CO 0.01 0.11 0.41 -2.11 0.00 0.00 0.00 174.94 173.37