#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul4 s ARG 52 N 0.00 3.50 -0.09 1.96 0.52 -1.26 -4.20 118.95 119.39 1ul4 s ARG 52 Ca 0.00 -1.65 0.07 0.00 -0.52 0.00 0.00 55.73 53.63 1ul4 s ARG 52 Cb 0.00 -5.43 -0.10 0.00 0.52 0.00 0.00 34.95 29.94 1ul4 s ARG 52 CO 0.00 -2.77 0.02 1.28 0.02 0.00 0.00 175.30 173.86 1ul4 n LEU 53 N 10.25 0.12 -4.71 2.53 4.77 -1.26 -5.01 117.00 123.69 1ul4 n LEU 53 Ca 0.46 -0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 56.01 1ul4 n LEU 53 Cb 0.47 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1ul4 n LEU 53 CO 0.73 0.23 1.26 0.00 -1.33 0.00 0.00 177.39 178.28 1ul4 h GLN 55 N 5.82 0.06 -6.99 0.00 3.07 -0.67 -3.44 115.11 112.96 1ul4 h GLN 55 Ca -0.45 -0.03 -0.54 0.00 0.09 0.00 0.00 58.65 57.72 1ul4 h GLN 55 Cb 1.23 -0.00 0.12 0.00 0.08 0.00 0.00 27.48 28.90 1ul4 h GLN 55 CO 0.88 0.46 0.70 0.08 0.09 0.00 0.00 178.83 181.04 1ul4 s VAL 56 N -4.12 2.11 0.48 1.86 1.01 -1.26 -5.00 120.40 115.48 1ul4 s VAL 56 Ca -0.03 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1ul4 s VAL 56 Cb 0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1ul4 s VAL 56 CO 0.74 0.01 0.77 -1.81 0.00 0.00 0.00 175.10 174.82 1ul4 s ASP 57 N -0.52 6.25 -1.31 3.32 1.01 -1.26 -4.02 116.67 120.14 1ul4 s ASP 57 Ca 0.61 0.90 0.00 0.00 0.71 0.00 0.00 52.55 54.76 1ul4 s ASP 57 Cb -0.43 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1ul4 s ASP 57 CO 0.56 -0.57 0.00 0.54 0.21 0.00 0.00 175.17 175.90 1ul4 n ARG 58 N -2.24 -1.26 -2.99 8.23 1.74 -1.26 -4.94 116.66 113.94 1ul4 n ARG 58 Ca 0.00 0.91 -0.43 0.00 -0.77 0.00 0.00 57.85 57.56 1ul4 n ARG 58 Cb 0.55 -5.11 -0.05 0.00 -1.02 0.00 0.00 32.46 26.84 1ul4 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ul4 n THR 60 N 5.91 3.06 -3.00 0.00 -2.24 -1.26 -4.96 114.28 111.79 1ul4 n THR 60 Ca -0.03 -1.79 -0.27 0.00 -2.27 0.00 0.00 64.05 59.69 1ul4 n THR 60 Cb 0.46 -0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 68.17 1ul4 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ul4 s ALA 61 N -3.08 3.52 -0.00 6.98 0.00 -1.26 -5.09 121.76 122.82 1ul4 s ALA 61 Ca 0.53 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 1ul4 s ALA 61 Cb 0.45 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1ul4 s ALA 61 CO 0.10 -0.10 0.18 0.34 0.00 0.00 0.00 175.76 176.28 1ul4 s ASP 62 N -3.78 6.33 -0.16 0.00 -1.08 -1.26 -4.47 116.67 112.24 1ul4 s ASP 62 Ca 0.45 0.33 0.21 0.00 -0.52 0.00 0.00 52.55 53.02 1ul4 s ASP 62 Cb -0.10 -1.98 0.46 0.00 -1.46 0.00 0.00 42.92 39.84 1ul4 s ASP 62 CO 0.38 0.26 1.16 0.23 0.52 0.00 0.00 175.17 177.71 1ul4 n MET 63 N 0.92 1.34 -0.38 4.34 2.81 -1.26 -4.87 117.12 120.01 1ul4 n MET 63 Ca -0.11 -3.03 -0.02 0.00 -1.81 0.00 0.00 57.70 52.74 1ul4 n MET 63 Cb 0.52 -1.12 0.11 0.00 -0.71 0.00 0.00 33.22 32.03 1ul4 n MET 63 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1ul4 h LYS 64 N 1.78 1.31 -2.32 0.03 3.64 -1.95 -3.27 116.57 115.80 1ul4 h LYS 64 Ca -0.09 -0.08 -0.60 0.00 -1.27 0.00 0.00 60.65 58.61 1ul4 h LYS 64 Cb 1.50 -0.30 -0.41 0.00 -0.41 0.00 0.00 32.23 32.61 1ul4 h LYS 64 CO 0.21 0.87 -0.68 0.39 -2.27 0.00 0.00 179.45 177.97 1ul4 n GLU 65 N -4.39 2.06 -4.13 1.90 1.02 -1.26 -5.08 120.64 110.77 1ul4 n GLU 65 Ca 0.12 -4.38 -0.29 0.00 -0.02 0.00 0.00 57.16 52.59 1ul4 n GLU 65 Cb 0.02 -2.09 -0.08 0.00 -0.02 0.00 0.00 31.44 29.28 1ul4 n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ul4 s ALA 66 N -2.03 3.32 0.99 0.62 0.00 -1.24 -5.13 121.76 118.29 1ul4 s ALA 66 Ca 0.36 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 1ul4 s ALA 66 Cb 0.12 -1.19 0.19 0.00 0.00 0.00 0.00 23.12 22.24 1ul4 s ALA 66 CO -0.06 0.66 1.23 0.15 0.00 0.00 0.00 175.76 177.74 1ul4 s LYS 67 N -2.47 0.46 0.16 0.00 -0.14 -1.26 -4.81 119.74 111.68 1ul4 s LYS 67 Ca 0.27 -0.15 0.22 0.00 -1.36 0.00 0.00 55.97 54.95 1ul4 s LYS 67 Cb -0.11 -1.80 0.88 0.00 -1.68 0.00 0.00 37.83 35.12 1ul4 s LYS 67 CO 0.19 -2.57 1.67 1.28 -0.76 0.00 0.00 175.35 175.16 1ul4 n LEU 68 N -3.94 0.46 0.08 3.17 4.32 -1.26 -1.55 117.00 118.29 1ul4 n LEU 68 Ca 0.12 0.60 -0.04 0.00 -0.02 0.00 0.00 56.01 56.67 1ul4 n LEU 68 Cb 0.60 -0.51 -0.07 0.00 -1.62 0.00 0.00 43.42 41.81 1ul4 n LEU 68 CO 0.49 -0.38 0.25 0.22 -1.22 0.00 0.00 177.39 176.74 1ul4 h TYR 69 N 0.00 0.00 0.00 -1.77 3.20 -1.98 -1.97 116.97 114.46 1ul4 h TYR 69 Ca 0.00 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.52 1ul4 h TYR 69 Cb 0.40 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 1ul4 h TYR 69 CO 0.00 0.85 -2.24 0.72 -1.64 0.00 0.00 178.16 175.84 1ul4 n HIS 70 N -3.32 0.20 0.09 -3.82 8.25 -1.08 -3.69 115.22 111.85 1ul4 n HIS 70 Ca 0.01 0.07 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 1ul4 n HIS 70 Cb 0.87 -1.03 -0.13 0.00 1.12 0.00 0.00 29.99 30.82 1ul4 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ul4 h ARG 71 N 0.00 0.20 -0.03 -0.41 3.08 -1.40 0.15 114.38 115.98 1ul4 h ARG 71 Ca -0.49 -0.34 -0.20 0.00 0.07 0.00 0.00 59.98 59.03 1ul4 h ARG 71 Cb 2.18 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 32.35 1ul4 h ARG 71 CO 0.04 1.16 -0.83 -0.09 -1.07 0.00 0.00 179.97 179.18 1ul4 h ARG 72 N 0.05 0.35 0.00 0.04 2.43 -1.55 -3.19 114.38 112.51 1ul4 h ARG 72 Ca -0.10 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1ul4 h ARG 72 Cb 1.92 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1ul4 h ARG 72 CO 0.18 1.00 -0.80 0.72 -1.51 0.00 0.00 179.97 179.56 1ul4 n HIS 73 N -3.77 0.22 -2.54 2.20 8.25 -1.24 -4.96 115.22 113.38 1ul4 n HIS 73 Ca -0.05 0.06 -0.17 0.00 -0.26 0.00 0.00 57.72 57.31 1ul4 n HIS 73 Cb 0.77 -0.38 0.01 0.00 1.12 0.00 0.00 29.99 31.50 1ul4 n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ul4 n LYS 74 N -1.81 -2.38 -3.79 -0.41 4.01 -0.06 -4.84 118.16 108.87 1ul4 n LYS 74 Ca 0.03 0.76 -0.24 0.00 -0.51 0.00 0.00 58.31 58.36 1ul4 n LYS 74 Cb 0.40 -5.20 -0.17 0.00 -0.51 0.00 0.00 35.03 29.55 1ul4 n LYS 74 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ul4 s VAL 75 N -2.91 0.52 1.06 -0.18 0.11 -0.57 0.10 120.40 118.52 1ul4 s VAL 75 Ca 0.10 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 58.97 1ul4 s VAL 75 Cb -0.04 -0.68 0.22 0.00 -1.53 0.00 0.00 36.38 34.34 1ul4 s VAL 75 CO 0.12 0.24 1.13 0.00 -3.33 0.00 0.00 175.10 173.26 1ul4 h GLU 77 N -2.06 0.48 -0.10 0.00 4.22 -1.97 0.68 114.58 115.82 1ul4 h GLU 77 Ca -0.49 -0.21 0.03 0.00 0.08 0.00 0.00 59.36 58.77 1ul4 h GLU 77 Cb 1.31 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ul4 h GLU 77 CO 0.48 0.75 0.07 0.28 -2.18 0.00 0.00 179.01 178.41 1ul4 h VAL 78 N 0.41 0.95 0.00 0.32 2.07 -1.98 -0.03 116.25 117.99 1ul4 h VAL 78 Ca 0.05 -0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.35 1ul4 h VAL 78 Cb 0.78 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1ul4 h VAL 78 CO 0.06 0.00 -1.96 1.41 0.02 0.00 0.00 177.57 177.10 1ul4 n HIS 79 N -4.51 0.00 0.09 1.57 8.25 -1.06 -3.40 115.22 116.16 1ul4 n HIS 79 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1ul4 n HIS 79 Cb 0.18 -0.66 0.19 0.00 1.12 0.00 0.00 29.99 30.83 1ul4 n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ul4 h ALA 80 N 0.89 1.04 0.00 -1.41 0.00 0.63 -3.18 119.26 117.22 1ul4 h ALA 80 Ca -0.32 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 53.95 1ul4 h ALA 80 Cb 1.68 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 1ul4 h ALA 80 CO 0.02 0.63 -1.92 1.63 0.00 0.00 0.00 179.25 179.61 1ul4 n LYS 81 N -3.98 0.66 0.27 0.00 5.02 -0.05 -4.18 118.16 115.90 1ul4 n LYS 81 Ca -0.02 0.02 0.18 0.00 -2.02 0.00 0.00 58.31 56.48 1ul4 n LYS 81 Cb 0.52 -1.63 0.92 0.00 -0.02 0.00 0.00 35.03 34.82 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ul4 h ALA 82 N 1.44 1.48 0.00 7.82 0.00 -1.56 -3.45 119.26 124.99 1ul4 h ALA 82 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ul4 h ALA 82 Cb 1.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1ul4 h ALA 82 CO 0.03 -0.26 0.00 0.45 0.00 0.00 0.00 179.25 179.47 1ul4 n SER 83 N -3.32 0.00 -4.66 0.00 2.88 -1.24 -4.74 113.62 102.53 1ul4 n SER 83 Ca -0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1ul4 n SER 83 Cb 0.30 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.67 1ul4 n SER 83 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ul4 s SER 84 N 0.00 5.91 0.18 -3.46 1.04 -1.26 -3.60 113.70 112.50 1ul4 s SER 84 Ca 0.00 0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.63 1ul4 s SER 84 Cb 0.00 -2.03 -0.04 0.00 0.10 0.00 0.00 66.02 64.04 1ul4 s SER 84 CO 0.00 0.14 -0.15 -0.69 0.98 0.00 0.00 173.24 173.52 1ul4 s VAL 85 N 0.56 1.67 -1.10 5.02 1.01 -1.10 -4.98 120.40 121.48 1ul4 s VAL 85 Ca 0.06 -2.03 -0.12 0.00 0.00 0.00 0.00 61.98 59.89 1ul4 s VAL 85 Cb -0.12 -1.89 0.23 0.00 0.00 0.00 0.00 36.38 34.60 1ul4 s VAL 85 CO 0.00 -0.48 1.17 0.12 0.00 0.00 0.00 175.10 175.91 1ul4 s PHE 86 N -2.56 3.89 -0.25 5.22 5.36 -1.26 -2.38 117.98 126.01 1ul4 s PHE 86 Ca 0.18 -2.34 -0.12 0.00 -0.96 0.00 0.00 56.93 53.69 1ul4 s PHE 86 Cb -0.03 -4.02 -0.05 0.00 -0.34 0.00 0.00 43.02 38.58 1ul4 s PHE 86 CO 0.06 -1.13 0.21 -1.17 -1.46 0.00 0.00 175.22 171.73 1ul4 s LEU 87 N 0.08 4.09 -1.77 6.12 2.96 -0.24 -4.28 118.68 125.64 1ul4 s LEU 87 Ca 0.33 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1ul4 s LEU 87 Cb -0.07 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1ul4 s LEU 87 CO -0.06 -0.00 0.00 -1.20 -1.32 0.00 0.00 176.35 173.77 1ul4 n SER 88 N 4.59 -5.08 0.00 3.68 7.64 -1.26 -1.51 113.62 121.68 1ul4 n SER 88 Ca -0.13 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1ul4 n SER 88 Cb 0.52 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.32 1ul4 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ul4 n GLY 89 N -0.64 2.65 3.92 0.23 0.00 -1.26 -5.02 105.19 105.08 1ul4 n GLY 89 Ca -0.20 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 1ul4 n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ul4 s LEU 90 N 0.00 2.68 -0.25 0.99 1.02 -0.57 -4.96 118.68 117.60 1ul4 s LEU 90 Ca 0.00 0.49 -0.07 0.00 0.02 0.00 0.00 54.13 54.58 1ul4 s LEU 90 Cb 0.00 -2.94 -0.02 0.00 0.02 0.00 0.00 46.19 43.25 1ul4 s LEU 90 CO 0.00 -1.96 0.05 0.20 0.02 0.00 0.00 176.35 174.66 1ul4 s ASN 91 N -4.63 5.00 -0.02 2.29 0.01 -1.26 -1.08 114.94 115.26 1ul4 s ASN 91 Ca 0.64 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.57 1ul4 s ASN 91 Cb -0.09 -1.89 -0.01 0.00 0.41 0.00 0.00 41.25 39.67 1ul4 s ASN 91 CO 0.48 -0.04 -0.12 -1.10 -1.51 0.00 0.00 177.10 174.81 1ul4 s GLN 92 N 1.59 1.02 0.17 -0.60 1.11 -1.00 -2.03 119.66 119.92 1ul4 s GLN 92 Ca 0.06 -0.41 -0.01 0.00 0.01 0.00 0.00 55.36 55.01 1ul4 s GLN 92 Cb -0.15 -0.97 -0.04 0.00 -1.01 0.00 0.00 33.01 30.84 1ul4 s GLN 92 CO 0.03 0.22 0.35 1.03 0.01 0.00 0.00 175.29 176.93 1ul4 s ARG 93 N -0.15 3.52 -0.43 2.91 1.81 -0.57 -2.72 118.95 123.32 1ul4 s ARG 93 Ca 0.02 -0.33 -0.29 0.00 -1.72 0.00 0.00 55.73 53.41 1ul4 s ARG 93 Cb -0.06 -2.88 0.02 0.00 -0.45 0.00 0.00 34.95 31.58 1ul4 s ARG 93 CO -0.00 0.45 1.30 0.12 -0.68 0.00 0.00 175.30 176.49 1ul4 s PHE 94 N -1.77 2.57 -0.66 -0.53 5.36 -1.24 -1.53 117.98 120.19 1ul4 s PHE 94 Ca 0.38 0.71 -0.20 0.00 -0.96 0.00 0.00 56.93 56.85 1ul4 s PHE 94 Cb -0.11 -4.32 0.09 0.00 -0.34 0.00 0.00 43.02 38.33 1ul4 s PHE 94 CO 0.28 -1.70 0.86 0.00 -1.46 0.00 0.00 175.22 173.21 1ul4 h GLN 96 N 9.30 0.00 -0.94 0.00 4.15 -1.86 0.97 115.11 126.73 1ul4 h GLN 96 Ca -0.24 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.22 1ul4 h GLN 96 Cb 1.07 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.71 1ul4 h GLN 96 CO 1.13 0.11 0.61 1.96 -1.93 0.00 0.00 178.83 180.71 1ul4 h GLN 97 N 0.00 1.13 -0.20 1.69 1.08 -1.91 -2.65 115.11 114.25 1ul4 h GLN 97 Ca -0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1ul4 h GLN 97 Cb 0.25 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1ul4 h GLN 97 CO 0.01 0.74 0.00 0.00 -0.95 0.00 0.00 178.83 178.64 1ul4 n SER 99 N -0.41 -2.65 -3.34 0.00 2.88 0.26 -4.87 113.62 105.50 1ul4 n SER 99 Ca 0.15 0.25 -0.20 0.00 -1.33 0.00 0.00 58.87 57.73 1ul4 n SER 99 Cb 0.64 -2.60 -0.07 0.00 -0.75 0.00 0.00 64.21 61.43 1ul4 n SER 99 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ul4 n ARG 100 N -1.66 0.49 -3.41 -1.46 1.85 -0.76 -4.95 116.66 106.76 1ul4 n ARG 100 Ca -0.10 -3.07 -0.23 0.00 -1.00 0.00 0.00 57.85 53.45 1ul4 n ARG 100 Cb 0.33 2.08 -0.01 0.00 -1.05 0.00 0.00 32.46 33.81 1ul4 n ARG 100 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ul4 s PHE 101 N -3.08 3.41 -0.00 2.89 0.40 -1.26 0.10 117.98 120.44 1ul4 s PHE 101 Ca 0.27 0.23 -0.08 0.00 -0.60 0.00 0.00 56.93 56.75 1ul4 s PHE 101 Cb 0.01 -1.92 0.00 0.00 0.51 0.00 0.00 43.02 41.63 1ul4 s PHE 101 CO 0.19 0.08 0.15 -1.01 0.70 0.00 0.00 175.22 175.34 1ul4 s HIS 102 N -2.29 0.00 0.74 0.36 3.76 -0.58 -4.81 115.29 112.47 1ul4 s HIS 102 Ca 0.41 -0.05 -0.15 0.00 -0.15 0.00 0.00 55.06 55.12 1ul4 s HIS 102 Cb -0.10 -0.03 0.02 0.00 1.11 0.00 0.00 32.58 33.59 1ul4 s HIS 102 CO 0.35 -0.28 1.03 -3.47 -0.85 0.00 0.00 174.74 171.52 1ul4 n ASP 103 N 1.57 0.63 0.23 1.40 2.03 -1.26 -1.51 116.55 119.65 1ul4 n ASP 103 Ca -0.22 0.65 0.09 0.00 0.52 0.00 0.00 54.79 55.83 1ul4 n ASP 103 Cb 0.56 -1.43 0.58 0.00 -0.72 0.00 0.00 41.12 40.10 1ul4 n ASP 103 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1ul4 h LEU 104 N -0.39 0.00 -0.49 -2.67 5.85 -1.79 -1.66 115.31 114.15 1ul4 h LEU 104 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ul4 h LEU 104 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1ul4 h LEU 104 CO 0.47 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.77 1ul4 n GLN 105 N -3.82 1.33 0.03 1.25 6.02 -1.26 -3.65 117.38 117.27 1ul4 n GLN 105 Ca -0.02 -0.49 -0.18 0.00 -0.01 0.00 0.00 57.00 56.31 1ul4 n GLN 105 Cb 0.30 -1.34 -0.14 0.00 1.02 0.00 0.00 30.24 30.07 1ul4 n GLN 105 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ul4 h GLU 106 N 1.00 0.22 -6.93 -1.09 5.08 -1.64 -3.47 114.58 107.76 1ul4 h GLU 106 Ca 0.00 -0.38 -0.46 0.00 -1.00 0.00 0.00 59.36 57.52 1ul4 h GLU 106 Cb 0.22 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1ul4 h GLU 106 CO 0.00 1.05 0.25 -0.06 -1.00 0.00 0.00 179.01 179.25 1ul4 s PHE 107 N -2.59 3.35 -0.14 4.33 0.08 -1.24 -4.79 117.98 116.98 1ul4 s PHE 107 Ca -0.14 1.47 -0.23 0.00 0.12 0.00 0.00 56.93 58.15 1ul4 s PHE 107 Cb 0.07 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 1ul4 s PHE 107 CO 0.82 -0.02 0.72 -0.51 -0.10 0.00 0.00 175.22 176.13 1ul4 s ASP 108 N -2.19 6.89 0.00 1.36 1.11 -1.26 -4.68 116.67 117.90 1ul4 s ASP 108 Ca 0.59 1.08 0.00 0.00 0.18 0.00 0.00 52.55 54.39 1ul4 s ASP 108 Cb -0.10 -2.41 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1ul4 s ASP 108 CO 0.15 -0.25 0.00 -0.62 1.18 0.00 0.00 175.17 175.63 1ul4 n GLU 109 N 4.61 0.00 -1.44 8.23 1.02 -1.26 -1.88 120.64 129.92 1ul4 n GLU 109 Ca 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 1ul4 n GLU 109 Cb 0.50 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.93 1ul4 n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ul4 n ALA 110 N 0.76 1.44 -0.61 0.62 0.00 -1.26 -5.14 120.51 116.31 1ul4 n ALA 110 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 1ul4 n ALA 110 Cb 0.00 -0.48 0.20 0.00 0.00 0.00 0.00 19.45 19.17 1ul4 n ALA 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ul4 n LYS 111 N -0.43 -1.25 -0.72 0.00 5.02 -0.79 -4.94 118.16 115.05 1ul4 n LYS 111 Ca -0.15 -0.31 -0.01 0.00 -2.02 0.00 0.00 58.31 55.82 1ul4 n LYS 111 Cb 0.62 -2.22 0.22 0.00 -0.02 0.00 0.00 35.03 33.64 1ul4 n LYS 111 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1ul4 n ARG 112 N -4.16 2.34 -3.74 1.97 0.00 -1.26 -4.90 116.66 106.92 1ul4 n ARG 112 Ca 0.08 -3.05 -0.06 0.00 -0.00 0.00 0.00 57.85 54.82 1ul4 n ARG 112 Cb 0.53 -1.88 -0.02 0.00 -0.00 0.00 0.00 32.46 31.10 1ul4 n ARG 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ul4 s SER 113 N -2.15 -0.26 1.29 2.89 0.01 -1.26 -4.77 113.70 109.44 1ul4 s SER 113 Ca 0.45 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 57.12 1ul4 s SER 113 Cb 0.39 0.57 0.30 0.00 0.21 0.00 0.00 66.02 67.49 1ul4 s SER 113 CO 0.05 -1.03 0.68 0.00 0.41 0.00 0.00 173.24 173.34 1ul4 n ARG 115 N -4.24 0.59 -0.02 0.00 0.63 -1.26 -4.48 116.66 107.88 1ul4 n ARG 115 Ca 0.10 -2.46 -0.02 0.00 -0.92 0.00 0.00 57.85 54.55 1ul4 n ARG 115 Cb 0.50 -0.61 -0.01 0.00 0.45 0.00 0.00 32.46 32.79 1ul4 n ARG 115 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ul4 n ARG 116 N -0.12 0.16 -0.07 -0.14 3.00 -1.26 -4.54 116.66 113.70 1ul4 n ARG 116 Ca 0.11 0.34 -0.07 0.00 -0.00 0.00 0.00 57.85 58.24 1ul4 n ARG 116 Cb 0.97 -1.07 -0.11 0.00 0.00 0.00 0.00 32.46 32.25 1ul4 n ARG 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ul4 n ARG 117 N -3.07 1.81 -0.35 -0.14 1.74 -1.26 -4.53 116.66 110.85 1ul4 n ARG 117 Ca -0.02 -0.01 -0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1ul4 n ARG 117 Cb 0.09 -1.34 0.13 0.00 -1.02 0.00 0.00 32.46 30.32 1ul4 n ARG 117 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ul4 h LEU 118 N 0.00 1.03 -7.96 0.55 7.12 -1.87 -3.33 115.31 110.85 1ul4 h LEU 118 Ca -0.36 -0.01 -0.56 0.00 0.13 0.00 0.00 57.88 57.08 1ul4 h LEU 118 Cb 1.82 -0.23 -0.07 0.00 -0.53 0.00 0.00 40.66 41.65 1ul4 h LEU 118 CO 0.02 0.71 1.70 0.00 -0.13 0.00 0.00 178.44 180.74 1ul4 s ALA 119 N -6.09 2.73 -0.20 1.25 0.00 -1.26 -4.95 121.76 113.24 1ul4 s ALA 119 Ca -0.13 -2.51 -0.08 0.00 0.00 0.00 0.00 51.96 49.24 1ul4 s ALA 119 Cb 0.18 -4.63 -0.04 0.00 0.00 0.00 0.00 23.12 18.64 1ul4 s ALA 119 CO 0.81 -3.91 0.09 0.20 0.00 0.00 0.00 175.76 172.95 1ul4 s GLY 120 N 5.18 1.93 -0.46 0.00 0.00 -1.25 -4.92 107.32 107.80 1ul4 s GLY 120 Ca 0.57 -0.80 -0.22 0.00 0.00 0.00 0.00 44.72 44.27 1ul4 s GLY 120 CO 0.05 0.18 0.72 0.30 0.00 0.00 0.00 173.10 174.36 1ul4 s HIS 121 N 0.62 3.01 -0.23 1.90 3.76 -1.26 -5.00 115.29 118.09 1ul4 s HIS 121 Ca 0.05 -0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.89 1ul4 s HIS 121 Cb -0.13 -3.56 0.12 0.00 1.11 0.00 0.00 32.58 30.13 1ul4 s HIS 121 CO 0.01 -0.98 0.45 -0.80 -0.85 0.00 0.00 174.74 172.57 1ul4 s ASN 122 N 2.21 -0.29 -0.42 1.40 0.02 -1.26 -5.02 114.94 111.57 1ul4 s ASN 122 Ca 0.25 0.77 0.05 0.00 -1.02 0.00 0.00 52.86 52.91 1ul4 s ASN 122 Cb -0.14 1.45 0.60 0.00 0.02 0.00 0.00 41.25 43.18 1ul4 s ASN 122 CO 0.20 -0.26 1.79 -0.62 0.02 0.00 0.00 177.10 178.23 1ul4 n GLU 123 N 5.39 2.20 -3.66 -0.60 -0.58 -1.26 -4.88 120.64 117.25 1ul4 n GLU 123 Ca -0.06 -3.12 -0.18 0.00 -0.42 0.00 0.00 57.16 53.38 1ul4 n GLU 123 Cb 0.50 -2.09 -0.17 0.00 -0.57 0.00 0.00 31.44 29.11 1ul4 n GLU 123 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1ul4 s ARG 124 N -3.35 -0.01 0.54 3.49 3.52 -1.26 -5.15 118.95 116.73 1ul4 s ARG 124 Ca 0.54 0.47 -0.06 0.00 -0.13 0.00 0.00 55.73 56.55 1ul4 s ARG 124 Cb 0.46 -0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 33.41 1ul4 s ARG 124 CO 0.06 -0.33 0.85 1.03 -0.81 0.00 0.00 175.30 176.10 1ul4 s ARG 125 N 2.24 3.27 -0.12 5.12 0.52 -1.26 -5.02 118.95 123.70 1ul4 s ARG 125 Ca 0.04 0.13 0.22 0.00 -0.52 0.00 0.00 55.73 55.59 1ul4 s ARG 125 Cb -0.12 -2.32 0.42 0.00 0.52 0.00 0.00 34.95 33.45 1ul4 s ARG 125 CO -0.05 -0.44 1.16 -2.13 0.02 0.00 0.00 175.30 173.86 1ul4 n ARG 126 N -2.42 0.72 -1.05 3.54 3.00 -1.26 -4.87 116.66 114.31 1ul4 n ARG 126 Ca 0.03 -2.42 -0.15 0.00 -0.00 0.00 0.00 57.85 55.31 1ul4 n ARG 126 Cb 0.56 -0.52 0.18 0.00 0.00 0.00 0.00 32.46 32.69 1ul4 n ARG 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ul4 n LYS 127 N -0.07 2.08 -3.27 -0.14 4.01 -1.26 -5.00 118.16 114.51 1ul4 n LYS 127 Ca 0.02 -3.13 -0.24 0.00 -0.51 0.00 0.00 58.31 54.45 1ul4 n LYS 127 Cb 0.97 -2.01 -0.01 0.00 -0.51 0.00 0.00 35.03 33.47 1ul4 n LYS 127 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1ul4 s SER 128 N -1.95 6.20 -0.32 4.39 0.15 -1.26 -5.09 113.70 115.82 1ul4 s SER 128 Ca 0.51 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1ul4 s SER 128 Cb 0.45 -1.94 0.10 0.00 -1.71 0.00 0.00 66.02 62.92 1ul4 s SER 128 CO 0.05 -0.39 0.09 -0.44 1.20 0.00 0.00 173.24 173.76 1ul4 s SER 129 N -4.08 4.18 0.00 5.45 0.01 -1.26 -4.83 113.70 113.17 1ul4 s SER 129 Ca 0.42 -1.80 0.00 0.00 1.31 0.00 0.00 55.95 55.87 1ul4 s SER 129 Cb -0.10 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1ul4 s SER 129 CO 0.37 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1ul4 n GLY 130 N 4.65 2.52 0.00 3.44 0.00 -1.26 -5.33 105.19 109.21 1ul4 n GLY 130 Ca -0.00 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.45 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50