#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujz s GLU 2 N 0.00 3.49 -0.42 3.17 0.41 -1.26 -5.06 118.70 119.03 1ujz s GLU 2 Ca 0.00 -0.60 -0.19 0.00 -0.41 0.00 0.00 54.97 53.77 1ujz s GLU 2 Cb 0.00 -3.48 0.02 0.00 -1.78 0.00 0.00 34.13 28.89 1ujz s GLU 2 CO 0.00 -0.32 0.54 -0.51 -0.49 0.00 0.00 175.26 174.48 1ujz s LEU 3 N 1.62 4.63 0.82 1.80 1.43 -1.26 -5.06 118.68 122.66 1ujz s LEU 3 Ca 0.05 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1ujz s LEU 3 Cb -0.16 -2.57 0.08 0.00 0.03 0.00 0.00 46.19 43.58 1ujz s LEU 3 CO 0.05 -0.66 1.10 -0.54 0.23 0.00 0.00 176.35 176.53 1ujz s LYS 4 N 2.48 1.87 0.14 1.70 -0.14 -1.26 -4.99 119.74 119.54 1ujz s LYS 4 Ca 0.18 0.69 0.19 0.00 -1.36 0.00 0.00 55.97 55.67 1ujz s LYS 4 Cb -0.15 -1.89 -0.06 0.00 -1.68 0.00 0.00 37.83 34.04 1ujz s LYS 4 CO 0.16 -1.78 0.97 -2.95 -0.76 0.00 0.00 175.35 170.99 1ujz h ASN 5 N -1.21 0.00 -4.47 2.83 -1.07 -1.98 -3.48 115.58 106.20 1ujz h ASN 5 Ca -0.48 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 55.55 1ujz h ASN 5 Cb 1.27 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 37.33 1ujz h ASN 5 CO 0.58 0.38 -0.75 -0.55 0.07 0.00 0.00 177.43 177.16 1ujz s SER 6 N -5.73 1.42 0.46 6.14 0.15 -1.26 -4.80 113.70 110.08 1ujz s SER 6 Ca -0.01 -0.71 0.17 0.00 0.70 0.00 0.00 55.95 56.10 1ujz s SER 6 Cb 0.09 -0.01 1.09 0.00 -1.71 0.00 0.00 66.02 65.48 1ujz s SER 6 CO 0.79 -0.19 2.01 -0.29 1.20 0.00 0.00 173.24 176.76 1ujz h ILE 7 N 3.95 1.02 0.00 6.45 -0.00 -1.92 -1.17 117.51 125.84 1ujz h ILE 7 Ca -0.38 -0.61 0.00 0.00 -0.00 0.00 0.00 64.86 63.87 1ujz h ILE 7 Cb 1.19 1.34 0.00 0.00 -0.00 0.00 0.00 36.82 39.35 1ujz h ILE 7 CO 0.47 0.17 0.00 0.28 -0.00 0.00 0.00 178.15 179.07 1ujz h SER 8 N 0.00 0.00 0.69 2.19 0.02 -1.86 -1.65 113.55 112.95 1ujz h SER 8 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ujz h SER 8 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1ujz h SER 8 CO 0.02 0.00 -0.42 0.47 -1.14 0.00 0.00 176.83 175.76 1ujz n ASP 9 N -2.44 0.45 -4.69 3.07 8.00 -0.44 -3.75 116.55 116.75 1ujz n ASP 9 Ca 0.01 -0.02 -0.35 0.00 0.71 0.00 0.00 54.79 55.14 1ujz n ASP 9 Cb 0.18 0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 1ujz n ASP 9 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ujz s TYR 10 N -3.03 3.34 0.76 1.24 2.02 -0.62 -4.85 117.35 116.21 1ujz s TYR 10 Ca 0.11 0.22 -0.12 0.00 -0.37 0.00 0.00 57.07 56.90 1ujz s TYR 10 Cb 0.17 -2.10 0.05 0.00 -0.40 0.00 0.00 41.96 39.68 1ujz s TYR 10 CO 0.67 0.26 1.13 0.95 -1.57 0.00 0.00 175.55 176.99 1ujz s THR 11 N 0.25 2.84 0.19 -0.71 -4.23 -1.26 0.77 115.64 113.48 1ujz s THR 11 Ca 0.06 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 1ujz s THR 11 Cb -0.12 -3.24 0.11 0.00 1.34 0.00 0.00 72.50 70.59 1ujz s THR 11 CO -0.01 -0.35 1.76 -0.33 -0.54 0.00 0.00 174.62 175.15 1ujz h GLU 12 N -0.87 0.99 -0.74 3.99 5.08 -1.86 -2.19 114.58 118.99 1ujz h GLU 12 Ca -0.46 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1ujz h GLU 12 Cb 1.29 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1ujz h GLU 12 CO 0.64 0.81 0.49 0.00 -1.00 0.00 0.00 179.01 179.95 1ujz h ALA 13 N 1.13 1.47 -0.15 3.43 0.00 -1.93 -2.02 119.26 121.19 1ujz h ALA 13 Ca 0.23 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1ujz h ALA 13 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ujz h ALA 13 CO -0.02 0.49 -0.38 0.93 0.00 0.00 0.00 179.25 180.27 1ujz h GLU 14 N 1.00 0.32 -0.13 0.00 5.08 -1.84 -2.73 114.58 116.27 1ujz h GLU 14 Ca 0.27 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1ujz h GLU 14 Cb -0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1ujz h GLU 14 CO -0.06 0.65 -0.53 0.35 -1.00 0.00 0.00 179.01 178.43 1ujz h PHE 15 N 0.27 0.47 -0.35 4.33 3.57 -0.76 -2.56 116.94 121.90 1ujz h PHE 15 Ca 0.03 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 1ujz h PHE 15 Cb 0.79 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1ujz h PHE 15 CO 0.02 0.83 -0.03 0.28 -2.23 0.00 0.00 178.31 177.18 1ujz h VAL 16 N 0.30 1.21 0.00 1.41 2.07 -1.21 -1.94 116.25 118.09 1ujz h VAL 16 Ca 0.01 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 1ujz h VAL 16 Cb 1.02 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1ujz h VAL 16 CO 0.09 0.30 -0.29 1.56 0.02 0.00 0.00 177.57 179.25 1ujz h GLN 17 N 0.53 0.00 -0.25 1.57 4.20 -1.17 -1.20 115.11 118.80 1ujz h GLN 17 Ca 0.11 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.63 1ujz h GLN 17 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1ujz h GLN 17 CO 0.02 0.29 -0.61 1.25 -0.67 0.00 0.00 178.83 179.11 1ujz h LEU 18 N 0.00 0.94 -0.73 1.46 5.85 -1.20 -2.23 115.31 119.40 1ujz h LEU 18 Ca -0.00 -0.53 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 1ujz h LEU 18 Cb 0.53 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ujz h LEU 18 CO 0.04 1.33 0.26 -0.07 -0.34 0.00 0.00 178.44 179.65 1ujz h LEU 19 N 0.62 1.04 -0.89 2.25 3.38 -0.67 -0.48 115.31 120.57 1ujz h LEU 19 Ca -0.00 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1ujz h LEU 19 Cb 1.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1ujz h LEU 19 CO 0.13 0.95 -0.43 0.11 0.09 0.00 0.00 178.44 179.29 1ujz h LYS 20 N 1.07 0.27 -0.63 1.13 1.79 -1.22 0.93 116.57 119.90 1ujz h LYS 20 Ca 0.24 -0.14 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1ujz h LYS 20 Cb 0.26 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1ujz h LYS 20 CO -0.01 0.66 0.21 1.49 -1.08 0.00 0.00 179.45 180.71 1ujz h GLU 21 N 0.23 0.98 -0.62 3.15 4.57 -0.89 0.36 114.58 122.36 1ujz h GLU 21 Ca 0.02 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 57.91 1ujz h GLU 21 Cb 0.85 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1ujz h GLU 21 CO 0.07 0.86 0.08 0.82 -1.18 0.00 0.00 179.01 179.66 1ujz h ILE 22 N 0.91 1.26 -0.30 2.32 2.04 -0.68 -2.26 117.51 120.81 1ujz h ILE 22 Ca 0.21 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 1ujz h ILE 22 Cb 0.28 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1ujz h ILE 22 CO -0.01 0.38 0.09 -0.33 0.00 0.00 0.00 178.15 178.29 1ujz h GLU 23 N 0.95 0.42 -0.13 2.37 5.08 -0.05 -0.94 114.58 122.28 1ujz h GLU 23 Ca 0.19 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1ujz h GLU 23 Cb 0.46 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ujz h GLU 23 CO 0.02 0.38 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.13 1ujz h LYS 24 N 0.42 0.28 0.00 2.33 3.11 -0.57 -3.08 116.57 119.07 1ujz h LYS 24 Ca 0.10 -0.12 -0.03 0.00 -2.81 0.00 0.00 60.65 57.80 1ujz h LYS 24 Cb 0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1ujz h LYS 24 CO -0.01 0.60 -0.13 0.93 -2.81 0.00 0.00 179.45 178.04 1ujz h GLU 25 N -0.06 0.00 -0.47 1.90 4.39 -1.11 -2.47 114.58 116.76 1ujz h GLU 25 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1ujz h GLU 25 Cb 0.52 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1ujz h GLU 25 CO 0.02 0.13 0.26 -0.97 -1.16 0.00 0.00 179.01 177.28 1ujz h ASN 26 N 0.00 0.56 -0.45 1.42 -1.24 -1.08 -1.68 115.58 113.11 1ujz h ASN 26 Ca -0.00 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.97 1ujz h ASN 26 Cb 0.55 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.46 1ujz h ASN 26 CO 0.02 0.46 0.00 1.33 -1.29 0.00 0.00 177.43 177.94 1ujz n VAL 27 N -4.42 0.59 -1.70 2.57 0.24 -0.94 -4.96 118.33 109.71 1ujz n VAL 27 Ca 0.04 -0.75 -0.32 0.00 -2.04 0.00 0.00 64.34 61.27 1ujz n VAL 27 Cb 0.10 0.77 0.04 0.00 -1.47 0.00 0.00 33.84 33.27 1ujz n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ujz s ALA 28 N -1.41 2.65 0.30 2.33 0.00 -0.63 -4.94 121.76 120.06 1ujz s ALA 28 Ca 0.40 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1ujz s ALA 28 Cb 0.22 -3.21 0.74 0.00 0.00 0.00 0.00 23.12 20.88 1ujz s ALA 28 CO 0.31 -1.14 1.76 0.00 0.00 0.00 0.00 175.76 176.68 1ujz h ALA 29 N -0.36 1.62 -1.25 0.00 0.00 -1.93 -3.43 119.26 113.91 1ujz h ALA 29 Ca -0.45 0.10 -0.60 0.00 0.00 0.00 0.00 54.91 53.96 1ujz h ALA 29 Cb 1.22 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 1ujz h ALA 29 CO 0.56 -0.13 -0.55 0.95 0.00 0.00 0.00 179.25 180.09 1ujz s THR 30 N -5.86 1.22 -1.69 0.00 -4.23 -1.26 -5.06 115.64 98.76 1ujz s THR 30 Ca -0.11 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.55 1ujz s THR 30 Cb 0.25 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.84 1ujz s THR 30 CO 0.80 0.00 1.15 0.47 -0.54 0.00 0.00 174.62 176.49 1ujz n ASP 31 N -1.11 2.72 -0.06 3.99 8.00 -1.26 -4.72 116.55 124.11 1ujz n ASP 31 Ca -0.10 -1.80 -0.08 0.00 0.71 0.00 0.00 54.79 53.52 1ujz n ASP 31 Cb 0.66 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 1ujz n ASP 31 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ujz h ASP 32 N 2.98 -0.86 -0.17 -2.24 3.32 -1.97 -0.09 116.42 117.39 1ujz h ASP 32 Ca 0.00 0.15 -0.22 0.00 0.02 0.00 0.00 57.03 56.99 1ujz h ASP 32 Cb 0.73 0.40 0.01 0.00 0.22 0.00 0.00 39.33 40.68 1ujz h ASP 32 CO 0.00 -0.30 -0.73 0.58 -1.72 0.00 0.00 179.24 177.07 1ujz h VAL 33 N -0.27 1.28 -0.50 -1.35 2.07 -1.96 -3.25 116.25 112.28 1ujz h VAL 33 Ca 0.14 -1.92 0.09 0.00 0.82 0.00 0.00 66.70 65.83 1ujz h VAL 33 Cb 0.49 1.90 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 1ujz h VAL 33 CO -0.41 0.61 0.05 0.25 0.02 0.00 0.00 177.57 178.09 1ujz h LEU 34 N 0.57 -0.10 -1.66 2.57 5.85 -1.73 -1.52 115.31 119.29 1ujz h LEU 34 Ca -0.04 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1ujz h LEU 34 Cb 1.35 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1ujz h LEU 34 CO 0.15 -0.02 0.09 1.88 -0.34 0.00 0.00 178.44 180.20 1ujz h TYR 35 N 0.18 0.30 -0.44 1.25 0.99 -1.06 0.11 116.97 118.29 1ujz h TYR 35 Ca 0.25 -0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.86 1ujz h TYR 35 Cb 0.36 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 37.98 1ujz h TYR 35 CO -0.26 0.24 -0.19 0.28 -0.00 0.00 0.00 178.16 178.23 1ujz h VAL 36 N 0.31 1.27 -0.41 -2.88 2.07 -1.35 -0.98 116.25 114.29 1ujz h VAL 36 Ca 0.08 -1.33 -0.13 0.00 0.82 0.00 0.00 66.70 66.14 1ujz h VAL 36 Cb 0.07 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1ujz h VAL 36 CO -0.01 0.45 -0.26 -0.07 0.02 0.00 0.00 177.57 177.70 1ujz h LEU 37 N 0.73 0.88 -0.77 2.57 3.38 -0.59 -2.55 115.31 118.95 1ujz h LEU 37 Ca 0.10 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 1ujz h LEU 37 Cb 0.75 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1ujz h LEU 37 CO 0.06 1.09 -0.08 -0.07 0.09 0.00 0.00 178.44 179.53 1ujz h LEU 38 N 0.73 0.84 -0.75 1.67 3.38 -0.71 -1.00 115.31 119.47 1ujz h LEU 38 Ca 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1ujz h LEU 38 Cb 0.81 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1ujz h LEU 38 CO 0.07 0.95 0.35 -0.33 0.09 0.00 0.00 178.44 179.57 1ujz h GLU 39 N 0.77 1.08 -0.54 1.13 5.08 -1.06 -0.76 114.58 120.28 1ujz h GLU 39 Ca 0.13 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1ujz h GLU 39 Cb 0.58 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1ujz h GLU 39 CO 0.04 0.85 -0.12 1.25 -1.00 0.00 0.00 179.01 180.02 1ujz h HIS 40 N 1.05 1.15 -0.56 4.33 2.76 -1.15 -0.57 115.15 122.16 1ujz h HIS 40 Ca 0.26 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1ujz h HIS 40 Cb 0.13 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 1ujz h HIS 40 CO 0.01 1.07 0.35 0.35 -1.30 0.00 0.00 177.93 178.41 1ujz h PHE 41 N 0.91 0.73 -0.24 5.26 3.04 -0.83 -1.91 116.94 123.91 1ujz h PHE 41 Ca 0.14 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 1ujz h PHE 41 Cb 0.69 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 1ujz h PHE 41 CO 0.05 0.48 0.05 0.28 -2.02 0.00 0.00 178.31 177.15 1ujz h VAL 42 N 0.76 1.21 -0.67 1.41 2.07 -0.87 -2.41 116.25 117.75 1ujz h VAL 42 Ca 0.20 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1ujz h VAL 42 Cb -0.05 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1ujz h VAL 42 CO -0.04 0.22 0.42 0.11 0.02 0.00 0.00 177.57 178.30 1ujz h LYS 43 N 0.20 0.90 0.03 1.57 1.79 -0.87 -2.29 116.57 117.90 1ujz h LYS 43 Ca 0.07 -0.07 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1ujz h LYS 43 Cb 0.29 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1ujz h LYS 43 CO 0.00 0.63 -1.01 -0.84 -1.08 0.00 0.00 179.45 177.15 1ujz h ILE 44 N 0.91 1.61 0.01 1.86 3.07 -1.36 -3.29 117.51 120.32 1ujz h ILE 44 Ca 0.24 -3.12 -0.19 0.00 1.55 0.00 0.00 64.86 63.35 1ujz h ILE 44 Cb -0.05 2.76 -0.02 0.00 -0.27 0.00 0.00 36.82 39.24 1ujz h ILE 44 CO -0.05 0.90 -0.87 0.71 -1.05 0.00 0.00 178.15 177.79 1ujz h THR 45 N 0.04 1.58 0.00 0.16 1.35 -1.43 -3.38 112.91 111.22 1ujz h THR 45 Ca -0.04 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 1ujz h THR 45 Cb 1.73 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.71 1ujz h THR 45 CO 0.14 0.82 0.00 -0.62 -0.25 0.00 0.00 175.52 175.61 1ujz n GLU 46 N -3.56 -0.71 -1.94 4.72 1.02 -0.87 -4.94 120.64 114.37 1ujz n GLU 46 Ca -0.02 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1ujz n GLU 46 Cb 0.82 -4.38 -0.02 0.00 -0.02 0.00 0.00 31.44 27.83 1ujz n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1ujz s HIS 47 N -1.35 2.98 0.51 -0.32 2.46 -1.26 -4.90 115.29 113.41 1ujz s HIS 47 Ca 0.00 0.83 0.19 0.00 0.47 0.00 0.00 55.06 56.55 1ujz s HIS 47 Cb 0.00 -3.91 1.28 0.00 -0.13 0.00 0.00 32.58 29.82 1ujz s HIS 47 CO 0.00 -3.13 2.07 -1.00 -2.47 0.00 0.00 174.74 170.22 1ujz h PRO 48 N 5.64 0.06 -0.06 2.88 0.13 -1.96 -1.84 132.00 136.84 1ujz h PRO 48 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ujz h PRO 48 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ujz h PRO 48 CO 0.83 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 178.39 1ujz n ASP 49 N -4.47 1.11 0.00 1.44 8.00 -1.26 -4.98 116.55 116.39 1ujz n ASP 49 Ca 0.03 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1ujz n ASP 49 Cb 0.31 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1ujz n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ujz n GLY 50 N 1.08 2.60 0.01 0.44 0.00 -0.70 -0.98 105.19 107.65 1ujz n GLY 50 Ca 0.18 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.38 1ujz n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ujz n THR 51 N 0.00 1.66 0.26 2.61 -2.24 -1.26 -2.42 114.28 112.89 1ujz n THR 51 Ca 0.00 0.43 0.08 0.00 -2.27 0.00 0.00 64.05 62.29 1ujz n THR 51 Cb 0.00 -1.36 0.63 0.00 -2.10 0.00 0.00 70.33 67.50 1ujz n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ujz h ASP 52 N 0.00 0.00 -0.03 3.42 3.32 -1.42 0.60 116.42 122.32 1ujz h ASP 52 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1ujz h ASP 52 Cb 0.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1ujz h ASP 52 CO 0.00 0.01 0.02 -0.07 -1.72 0.00 0.00 179.24 177.48 1ujz h LEU 53 N 0.00 0.00 0.00 1.55 3.38 -1.66 0.53 115.31 119.11 1ujz h LEU 53 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1ujz h LEU 53 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1ujz h LEU 53 CO 0.00 0.00 -1.50 -0.38 0.09 0.00 0.00 178.44 176.65 1ujz n ILE 54 N -4.36 1.53 0.71 1.22 5.41 0.09 -4.25 119.36 119.71 1ujz n ILE 54 Ca -0.02 -0.09 0.11 0.00 1.00 0.00 0.00 62.75 63.75 1ujz n ILE 54 Cb 0.11 -2.02 0.08 0.00 -0.71 0.00 0.00 39.64 37.10 1ujz n ILE 54 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1ujz n TYR 55 N -4.40 0.21 -3.11 1.39 4.01 -0.54 -4.53 117.16 110.19 1ujz n TYR 55 Ca -0.36 0.06 -0.17 0.00 -0.16 0.00 0.00 57.90 57.27 1ujz n TYR 55 Cb 0.71 -0.38 -0.02 0.00 -0.31 0.00 0.00 39.34 39.35 1ujz n TYR 55 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ujz n TYR 56 N -1.83 0.36 -1.93 -0.72 4.01 0.18 -5.03 117.16 112.21 1ujz n TYR 56 Ca 0.03 -3.68 -0.38 0.00 -0.16 0.00 0.00 57.90 53.71 1ujz n TYR 56 Cb 0.40 -0.41 0.03 0.00 -0.31 0.00 0.00 39.34 39.04 1ujz n TYR 56 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ujz s PRO 57 N -2.54 3.31 0.65 -0.72 0.04 -1.14 -4.62 135.00 129.99 1ujz s PRO 57 Ca 0.38 2.09 -0.16 0.00 0.04 0.00 0.00 61.00 63.35 1ujz s PRO 57 Cb 0.36 -2.29 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ujz s PRO 57 CO -0.06 -1.01 1.14 -1.12 0.04 0.00 0.00 177.00 175.99 1ujz s SER 58 N -1.09 5.01 0.39 6.66 0.01 -1.26 -4.92 113.70 118.50 1ujz s SER 58 Ca 0.69 2.13 0.27 0.00 1.31 0.00 0.00 55.95 60.36 1ujz s SER 58 Cb -0.37 -2.57 0.91 0.00 0.21 0.00 0.00 66.02 64.21 1ujz s SER 58 CO 0.44 -1.70 1.79 0.44 0.41 0.00 0.00 173.24 174.61 1ujz h ASP 59 N 0.20 0.00 0.00 2.44 3.32 -2.00 -3.03 116.42 117.35 1ujz h ASP 59 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1ujz h ASP 59 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1ujz h ASP 59 CO 0.54 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.60 1ujz n ASN 60 N -2.74 0.00 -3.98 6.45 0.23 -1.26 -4.81 115.26 109.15 1ujz n ASN 60 Ca 0.03 -1.05 -0.09 0.00 -0.53 0.00 0.00 54.58 52.94 1ujz n ASN 60 Cb 0.37 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.99 1ujz n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ujz s ARG 61 N -2.00 0.84 0.25 -3.83 1.70 -1.15 -5.14 118.95 109.62 1ujz s ARG 61 Ca 0.32 -1.13 -0.30 0.00 -0.47 0.00 0.00 55.73 54.15 1ujz s ARG 61 Cb 0.15 0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 1ujz s ARG 61 CO 0.25 -0.25 1.15 -0.51 -1.08 0.00 0.00 175.30 174.86 1ujz s ASP 62 N -2.92 7.17 -1.06 -2.89 1.01 -1.26 -4.77 116.67 111.94 1ujz s ASP 62 Ca 0.10 2.28 -0.17 0.00 0.71 0.00 0.00 52.55 55.47 1ujz s ASP 62 Cb 0.06 -2.62 0.13 0.00 1.01 0.00 0.00 42.92 41.50 1ujz s ASP 62 CO -0.07 -0.26 1.31 -0.62 0.21 0.00 0.00 175.17 175.74 1ujz s ASP 63 N -0.46 6.79 0.19 0.27 2.15 -1.26 -4.11 116.67 120.24 1ujz s ASP 63 Ca 0.48 -2.37 -0.23 0.00 0.43 0.00 0.00 52.55 50.85 1ujz s ASP 63 Cb -0.33 -2.43 0.05 0.00 -0.30 0.00 0.00 42.92 39.92 1ujz s ASP 63 CO 0.40 -0.99 0.80 -0.94 -0.17 0.00 0.00 175.17 174.27 1ujz s SER 64 N 3.49 -0.29 0.27 -0.34 1.04 -1.26 -4.99 113.70 111.62 1ujz s SER 64 Ca 0.39 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.44 1ujz s SER 64 Cb -0.03 0.59 0.50 0.00 0.10 0.00 0.00 66.02 67.18 1ujz s SER 64 CO -0.05 -1.06 1.85 -0.65 0.98 0.00 0.00 173.24 174.31 1ujz h PRO 65 N 2.00 1.00 -0.48 4.02 0.11 -1.98 -0.48 132.00 136.19 1ujz h PRO 65 Ca -0.23 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 1ujz h PRO 65 Cb 1.25 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1ujz h PRO 65 CO 0.27 0.66 -0.06 0.93 -0.21 0.00 0.00 178.00 179.60 1ujz h GLU 66 N 1.04 0.83 -0.42 1.05 3.07 -1.96 -1.69 114.58 116.49 1ujz h GLU 66 Ca 0.47 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.96 1ujz h GLU 66 Cb 0.39 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1ujz h GLU 66 CO -0.24 0.87 -0.19 0.78 -1.40 0.00 0.00 179.01 178.83 1ujz h GLY 67 N 0.98 0.89 0.82 -3.84 0.00 -1.31 -1.24 103.07 99.37 1ujz h GLY 67 Ca 0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 1ujz h GLY 67 CO 0.03 0.68 -0.01 -2.22 0.00 0.00 0.00 176.54 175.02 1ujz h ILE 68 N 0.72 1.11 -0.40 2.60 1.08 -0.93 -1.83 117.51 119.86 1ujz h ILE 68 Ca 0.10 -0.41 0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1ujz h ILE 68 Cb 0.71 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 1ujz h ILE 68 CO 0.05 0.11 0.19 0.58 -0.69 0.00 0.00 178.15 178.39 1ujz h VAL 69 N -0.21 0.97 -0.24 1.67 2.07 -1.24 -1.64 116.25 117.63 1ujz h VAL 69 Ca -0.00 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1ujz h VAL 69 Cb 0.20 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1ujz h VAL 69 CO 0.01 0.07 0.01 0.50 0.02 0.00 0.00 177.57 178.18 1ujz h LYS 70 N 0.39 0.08 -0.79 1.57 3.64 -1.10 -0.12 116.57 120.25 1ujz h LYS 70 Ca 0.17 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1ujz h LYS 70 Cb 0.08 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1ujz h LYS 70 CO -0.12 0.05 0.43 1.49 -2.27 0.00 0.00 179.45 179.04 1ujz h GLU 71 N 0.09 1.09 -0.36 1.90 4.81 -1.02 -1.80 114.58 119.29 1ujz h GLU 71 Ca 0.11 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ujz h GLU 71 Cb 0.14 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1ujz h GLU 71 CO -0.18 0.81 0.20 0.82 -0.73 0.00 0.00 179.01 179.92 1ujz h ILE 72 N 1.09 1.14 -0.35 2.32 2.04 -0.85 -1.06 117.51 121.84 1ujz h ILE 72 Ca 0.28 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1ujz h ILE 72 Cb 0.03 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1ujz h ILE 72 CO -0.05 0.15 0.11 0.11 0.00 0.00 0.00 178.15 178.47 1ujz h LYS 73 N 0.46 0.24 -0.57 2.37 1.57 -0.70 -0.87 116.57 119.07 1ujz h LYS 73 Ca 0.13 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1ujz h LYS 73 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1ujz h LYS 73 CO -0.02 0.16 -0.01 0.93 -0.57 0.00 0.00 179.45 179.94 1ujz h GLU 74 N 0.25 1.01 0.09 3.15 5.08 -1.16 -0.96 114.58 122.03 1ujz h GLU 74 Ca 0.16 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1ujz h GLU 74 Cb 0.15 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ujz h GLU 74 CO -0.18 1.01 -0.04 2.35 -1.00 0.00 0.00 179.01 181.15 1ujz h TRP 75 N 0.90 -0.11 -0.91 4.33 7.01 -0.99 -1.35 115.95 124.84 1ujz h TRP 75 Ca 0.16 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1ujz h TRP 75 Cb 0.56 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.61 1ujz h TRP 75 CO 0.04 0.23 0.53 0.00 -2.79 0.00 0.00 178.44 176.45 1ujz h ARG 76 N -0.47 1.24 -0.19 2.65 3.08 -1.17 -1.61 114.38 117.91 1ujz h ARG 76 Ca -0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1ujz h ARG 76 Cb 0.39 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1ujz h ARG 76 CO 0.02 0.88 0.06 0.00 -1.07 0.00 0.00 179.97 179.86 1ujz h ALA 77 N 1.29 0.25 0.00 0.04 0.00 -1.15 0.12 119.26 119.81 1ujz h ALA 77 Ca 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ujz h ALA 77 Cb -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ujz h ALA 77 CO -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 179.25 179.03 1ujz h ALA 78 N 0.88 1.76 -0.64 0.00 0.00 -0.95 -1.41 119.26 118.90 1ujz h ALA 78 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ujz h ALA 78 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ujz h ALA 78 CO -0.00 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1ujz n ASN 79 N -4.22 3.79 -1.34 0.00 3.02 -0.63 -4.95 115.26 110.93 1ujz n ASN 79 Ca -0.03 -2.12 -0.16 0.00 -0.03 0.00 0.00 54.58 52.24 1ujz n ASN 79 Cb 0.11 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 1ujz n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujz n GLY 80 N 1.41 1.32 3.87 7.41 0.00 -0.53 -5.00 105.19 113.68 1ujz n GLY 80 Ca 0.23 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1ujz n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujz s LYS 81 N -3.61 3.81 0.40 1.61 -0.14 0.37 -5.02 119.74 117.17 1ujz s LYS 81 Ca 0.00 0.37 -0.27 0.00 -1.36 0.00 0.00 55.97 54.71 1ujz s LYS 81 Cb 0.00 -2.53 -0.10 0.00 -1.68 0.00 0.00 37.83 33.52 1ujz s LYS 81 CO 0.00 0.17 1.41 -1.25 -0.76 0.00 0.00 175.35 174.92 1ujz s PRO 82 N -3.24 3.99 0.00 -1.68 0.04 -1.26 -4.41 135.00 128.44 1ujz s PRO 82 Ca 0.49 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1ujz s PRO 82 Cb -0.11 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1ujz s PRO 82 CO 0.24 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1ujz n GLY 83 N 0.59 1.43 3.72 0.56 0.00 -1.26 -4.75 105.19 105.48 1ujz n GLY 83 Ca 0.03 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1ujz n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujz s PHE 84 N 0.75 2.01 0.12 1.61 0.08 -1.26 -3.91 117.98 117.38 1ujz s PHE 84 Ca 0.00 1.61 -0.31 0.00 0.12 0.00 0.00 56.93 58.35 1ujz s PHE 84 Cb 0.00 -3.48 -0.09 0.00 -0.57 0.00 0.00 43.02 38.89 1ujz s PHE 84 CO 0.00 -2.66 1.56 0.21 -0.10 0.00 0.00 175.22 174.23 1ujz s LYS 85 N -3.96 4.23 0.59 0.44 2.20 0.23 -4.88 119.74 118.59 1ujz s LYS 85 Ca 0.74 2.28 0.36 0.00 -0.36 0.00 0.00 55.97 58.99 1ujz s LYS 85 Cb -0.29 -3.33 1.80 0.00 -1.51 0.00 0.00 37.83 34.50 1ujz s LYS 85 CO 0.46 -0.62 2.16 1.96 -0.36 0.00 0.00 175.35 178.96 1ujz h GLN 86 N 7.33 0.00 0.00 4.03 1.08 -1.89 -3.38 115.11 122.28 1ujz h GLN 86 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 1ujz h GLN 86 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1ujz h GLN 86 CO 0.91 0.04 0.00 0.41 -0.95 0.00 0.00 178.83 179.24