#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 4.06 -0.06 3.23 3.52 -1.26 -4.17 118.95 124.27 1ul4 s ARG 52 Ca 0.00 -3.07 0.09 0.00 -0.13 0.00 0.00 55.73 52.62 1ul4 s ARG 52 Cb 0.00 -4.51 -0.13 0.00 -1.56 0.00 0.00 34.95 28.75 1ul4 s ARG 52 CO 0.00 -1.25 0.11 1.28 -0.81 0.00 0.00 175.30 174.63 1ul4 n LEU 53 N 2.94 0.00 -4.68 -0.88 4.77 -1.26 -5.00 117.00 112.90 1ul4 n LEU 53 Ca 0.22 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.72 1ul4 n LEU 53 Cb 0.41 0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1ul4 n LEU 53 CO 0.44 0.14 1.39 0.00 -1.33 0.00 0.00 177.39 178.02 1ul4 h GLN 55 N 8.08 0.13 -6.99 0.00 3.07 -0.19 -3.43 115.11 115.79 1ul4 h GLN 55 Ca -0.47 -0.01 -0.54 0.00 0.09 0.00 0.00 58.65 57.72 1ul4 h GLN 55 Cb 1.27 -0.03 0.11 0.00 0.08 0.00 0.00 27.48 28.91 1ul4 h GLN 55 CO 0.93 0.10 0.65 0.08 0.09 0.00 0.00 178.83 180.68 1ul4 s VAL 56 N -5.14 2.28 0.45 1.86 1.01 -1.26 -5.01 120.40 114.58 1ul4 s VAL 56 Ca -0.06 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 1ul4 s VAL 56 Cb 0.17 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1ul4 s VAL 56 CO 0.69 0.03 0.71 -1.81 0.00 0.00 0.00 175.10 174.72 1ul4 s ASP 57 N -0.67 6.16 -1.88 3.32 1.11 -1.26 -4.14 116.67 119.31 1ul4 s ASP 57 Ca 0.61 0.69 0.00 0.00 0.18 0.00 0.00 52.55 54.03 1ul4 s ASP 57 Cb -0.41 -2.05 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1ul4 s ASP 57 CO 0.52 -0.55 0.00 0.54 1.18 0.00 0.00 175.17 176.86 1ul4 n ARG 58 N -2.13 -1.37 -2.80 8.23 1.74 -1.26 -4.93 116.66 114.14 1ul4 n ARG 58 Ca -0.01 1.09 -0.43 0.00 -0.77 0.00 0.00 57.85 57.73 1ul4 n ARG 58 Cb 0.56 -5.46 -0.04 0.00 -1.02 0.00 0.00 32.46 26.50 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 6.39 3.03 -1.67 0.00 -2.24 -1.26 -4.99 114.28 113.55 1ul4 n THR 60 Ca 0.05 -2.31 -0.05 0.00 -2.27 0.00 0.00 64.05 59.47 1ul4 n THR 60 Cb 0.48 -0.49 0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1ul4 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ul4 n ALA 61 N -1.12 -0.15 -4.04 6.98 0.00 -1.26 -5.08 120.51 115.85 1ul4 n ALA 61 Ca 0.52 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1ul4 n ALA 61 Cb 1.39 0.02 -0.15 0.00 0.00 0.00 0.00 19.45 20.70 1ul4 n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ul4 s ASP 62 N -1.89 4.35 -0.45 0.00 -1.08 -1.26 -4.90 116.67 111.45 1ul4 s ASP 62 Ca 0.14 -1.42 0.03 0.00 -0.52 0.00 0.00 52.55 50.79 1ul4 s ASP 62 Cb -0.01 -1.47 0.61 0.00 -1.46 0.00 0.00 42.92 40.60 1ul4 s ASP 62 CO 0.10 -0.22 1.89 0.23 0.52 0.00 0.00 175.17 177.69 1ul4 n MET 63 N 4.47 2.22 0.01 4.34 2.81 -1.26 -4.51 117.12 125.20 1ul4 n MET 63 Ca -0.12 -2.88 -0.10 0.00 -1.81 0.00 0.00 57.70 52.80 1ul4 n MET 63 Cb 0.42 -2.13 -0.08 0.00 -0.71 0.00 0.00 33.22 30.73 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 1.04 -0.12 -1.59 0.03 3.64 -1.93 -3.34 116.57 114.30 1ul4 h LYS 64 Ca 0.60 0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 59.27 1ul4 h LYS 64 Cb 2.59 0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 34.15 1ul4 h LYS 64 CO 1.10 0.37 0.84 0.39 -2.27 0.00 0.00 179.45 179.87 1ul4 n GLU 65 N -4.83 2.80 -2.05 1.90 1.02 -1.26 -5.01 120.64 113.22 1ul4 n GLU 65 Ca -0.07 -3.52 -0.31 0.00 -0.02 0.00 0.00 57.16 53.24 1ul4 n GLU 65 Cb 0.27 -2.28 -0.01 0.00 -0.02 0.00 0.00 31.44 29.41 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 -3.95 3.09 0.61 0.62 0.00 -1.25 -5.07 121.76 115.81 1ul4 s ALA 66 Ca 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 1ul4 s ALA 66 Cb 0.46 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 20.50 1ul4 s ALA 66 CO -0.25 -0.53 0.93 0.21 0.00 0.00 0.00 175.76 176.12 1ul4 s LYS 67 N -4.80 2.88 0.62 0.00 2.20 -1.26 -4.90 119.74 114.48 1ul4 s LYS 67 Ca 0.56 0.04 0.39 0.00 -0.36 0.00 0.00 55.97 56.60 1ul4 s LYS 67 Cb -0.11 -2.24 2.08 0.00 -1.51 0.00 0.00 37.83 36.06 1ul4 s LYS 67 CO 0.46 -0.76 2.27 1.25 -0.36 0.00 0.00 175.35 178.21 1ul4 h LEU 68 N -0.25 0.00 0.00 5.43 6.46 -1.98 -1.24 115.31 123.73 1ul4 h LEU 68 Ca -0.45 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 1ul4 h LEU 68 Cb 1.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1ul4 h LEU 68 CO 0.61 0.01 -0.00 0.22 -0.62 0.00 0.00 178.44 178.66 1ul4 h TYR 69 N 0.00 -0.00 0.00 1.25 3.20 -1.98 -2.33 116.97 117.11 1ul4 h TYR 69 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1ul4 h TYR 69 Cb 0.10 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1ul4 h TYR 69 CO 0.00 0.65 -0.11 0.45 -1.64 0.00 0.00 178.16 177.51 1ul4 h HIS 70 N -1.00 0.00 0.03 -3.82 3.86 -1.71 -1.90 115.15 110.61 1ul4 h HIS 70 Ca -0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 1ul4 h HIS 70 Cb 0.66 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 1ul4 h HIS 70 CO 0.18 0.11 -1.05 0.00 0.86 0.00 0.00 177.93 178.04 1ul4 h ARG 71 N 0.00 0.05 -0.05 2.45 3.08 -1.34 1.00 114.38 119.57 1ul4 h ARG 71 Ca -0.00 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1ul4 h ARG 71 Cb 0.20 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1ul4 h ARG 71 CO 0.01 1.04 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.83 1ul4 h ARG 72 N 0.02 0.12 0.00 0.04 2.43 -0.78 -3.00 114.38 113.20 1ul4 h ARG 72 Ca -0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1ul4 h ARG 72 Cb 1.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1ul4 h ARG 72 CO 0.14 0.55 0.00 0.72 -1.51 0.00 0.00 179.97 179.87 1ul4 n HIS 73 N -4.77 0.00 -3.45 2.20 8.25 -0.82 -4.90 115.22 111.73 1ul4 n HIS 73 Ca -0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.18 1ul4 n HIS 73 Cb 0.27 -0.15 0.08 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.15 -6.98 -3.80 -0.41 5.02 -1.02 -4.82 118.16 104.99 1ul4 n LYS 74 Ca 0.18 0.77 -0.12 0.00 -2.02 0.00 0.00 58.31 57.12 1ul4 n LYS 74 Cb 0.18 -5.63 -0.10 0.00 -0.02 0.00 0.00 35.03 29.46 1ul4 n LYS 74 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ul4 s VAL 75 N -3.31 0.05 0.50 -0.18 0.11 0.32 0.57 120.40 118.46 1ul4 s VAL 75 Ca 0.36 -0.44 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 1ul4 s VAL 75 Cb -0.16 -0.50 0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1ul4 s VAL 75 CO 0.68 -0.24 0.69 0.00 -3.33 0.00 0.00 175.10 172.90 1ul4 h GLU 77 N 0.32 0.33 -0.01 0.00 4.81 -1.95 0.68 114.58 118.76 1ul4 h GLU 77 Ca -0.39 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1ul4 h GLU 77 Cb 1.29 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1ul4 h GLU 77 CO 0.46 0.68 0.01 0.28 -0.73 0.00 0.00 179.01 179.71 1ul4 h VAL 78 N 0.28 0.97 0.00 0.32 2.07 -1.95 0.16 116.25 118.10 1ul4 h VAL 78 Ca 0.03 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.28 1ul4 h VAL 78 Cb 0.81 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1ul4 h VAL 78 CO 0.06 0.00 -2.01 1.41 0.02 0.00 0.00 177.57 177.05 1ul4 n HIS 79 N -4.50 0.00 0.11 1.57 8.25 -1.07 -3.76 115.22 115.83 1ul4 n HIS 79 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 1ul4 n HIS 79 Cb 0.10 -0.72 0.19 0.00 1.12 0.00 0.00 29.99 30.67 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 0.67 1.01 -0.24 -1.41 0.00 0.55 -3.12 119.26 116.72 1ul4 h ALA 80 Ca -0.40 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 53.89 1ul4 h ALA 80 Cb 1.89 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.52 1ul4 h ALA 80 CO 0.02 0.68 -0.20 1.17 0.00 0.00 0.00 179.25 180.91 1ul4 n LYS 81 N -3.92 1.77 -2.49 0.00 4.81 0.53 -4.88 118.16 113.99 1ul4 n LYS 81 Ca -0.02 -3.21 -0.25 0.00 -0.87 0.00 0.00 58.31 53.96 1ul4 n LYS 81 Cb 0.56 -1.76 0.12 0.00 0.02 0.00 0.00 35.03 33.97 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ul4 s ALA 82 N -3.24 3.48 -0.17 3.14 0.00 -1.18 -4.96 121.76 118.84 1ul4 s ALA 82 Ca 0.43 -1.67 0.11 0.00 0.00 0.00 0.00 51.96 50.82 1ul4 s ALA 82 Cb 0.39 -2.11 -0.18 0.00 0.00 0.00 0.00 23.12 21.22 1ul4 s ALA 82 CO -0.02 -1.63 -0.01 0.45 0.00 0.00 0.00 175.76 174.55 1ul4 n SER 83 N -2.99 1.44 -3.62 0.00 2.88 -1.26 -4.83 113.62 105.24 1ul4 n SER 83 Ca 0.15 -0.03 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 1ul4 n SER 83 Cb 0.60 0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 64.57 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 -5.22 -0.64 0.11 -3.46 1.04 -1.26 -4.83 113.70 99.44 1ul4 s SER 84 Ca -0.13 1.19 0.03 0.00 0.48 0.00 0.00 55.95 57.52 1ul4 s SER 84 Cb 0.05 1.19 -0.04 0.00 0.10 0.00 0.00 66.02 67.32 1ul4 s SER 84 CO 0.60 -0.25 -0.09 -0.69 0.98 0.00 0.00 173.24 173.79 1ul4 s VAL 85 N 0.18 0.94 -0.90 5.02 1.01 -0.81 -4.99 120.40 120.85 1ul4 s VAL 85 Ca 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 61.98 60.10 1ul4 s VAL 85 Cb -0.05 -1.54 0.23 0.00 0.00 0.00 0.00 36.38 35.02 1ul4 s VAL 85 CO -0.01 -0.67 0.82 0.12 0.00 0.00 0.00 175.10 175.37 1ul4 s PHE 86 N -2.90 3.89 -0.26 5.22 5.36 -1.26 -1.36 117.98 126.67 1ul4 s PHE 86 Ca 0.09 -2.59 -0.12 0.00 -0.96 0.00 0.00 56.93 53.36 1ul4 s PHE 86 Cb 0.00 -3.58 -0.05 0.00 -0.34 0.00 0.00 43.02 39.05 1ul4 s PHE 86 CO -0.01 -0.89 0.24 -0.51 -1.46 0.00 0.00 175.22 172.59 1ul4 s LEU 87 N -0.69 4.06 -1.33 6.12 1.43 0.48 -4.34 118.68 124.41 1ul4 s LEU 87 Ca 0.24 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.40 1ul4 s LEU 87 Cb -0.11 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.91 1ul4 s LEU 87 CO -0.09 -0.05 1.14 -1.20 0.23 0.00 0.00 176.35 176.38 1ul4 n SER 88 N 4.89 -5.30 -2.06 2.29 7.64 -1.26 -1.61 113.62 118.21 1ul4 n SER 88 Ca -0.13 -0.57 -0.20 0.00 1.01 0.00 0.00 58.87 58.98 1ul4 n SER 88 Cb 0.52 -5.02 -0.03 0.00 -1.01 0.00 0.00 64.21 58.66 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 -1.80 0.33 2.96 0.23 0.00 -1.26 -4.97 105.19 100.67 1ul4 n GLY 89 Ca -0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 1ul4 n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ul4 s LEU 90 N -5.42 2.19 -0.15 0.99 2.96 -0.63 -5.12 118.68 113.51 1ul4 s LEU 90 Ca 0.00 -0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.21 1ul4 s LEU 90 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.76 1ul4 s LEU 90 CO 0.00 -0.24 1.00 0.20 -1.32 0.00 0.00 176.35 175.99 1ul4 s ASN 91 N -1.18 7.18 0.00 3.68 -0.87 -1.26 -0.39 114.94 122.11 1ul4 s ASN 91 Ca -0.13 1.46 -0.03 0.00 -1.57 0.00 0.00 52.86 52.59 1ul4 s ASN 91 Cb -0.08 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.60 1ul4 s ASN 91 CO -0.01 -0.51 0.06 -1.10 -2.57 0.00 0.00 177.10 172.97 1ul4 s GLN 92 N 2.36 0.34 0.28 -0.60 -0.21 -0.46 -2.19 119.66 119.17 1ul4 s GLN 92 Ca 0.46 -0.39 0.10 0.00 0.02 0.00 0.00 55.36 55.55 1ul4 s GLN 92 Cb -0.17 0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 1ul4 s GLN 92 CO 0.14 -0.07 0.00 0.50 -2.12 0.00 0.00 175.29 173.74 1ul4 s ARG 93 N -1.14 2.27 -0.40 2.91 3.52 -0.69 -1.92 118.95 123.50 1ul4 s ARG 93 Ca -0.12 -1.46 -0.27 0.00 -0.13 0.00 0.00 55.73 53.74 1ul4 s ARG 93 Cb -0.07 -2.14 0.02 0.00 -1.56 0.00 0.00 34.95 31.20 1ul4 s ARG 93 CO 0.00 0.33 1.02 0.12 -0.81 0.00 0.00 175.30 175.96 1ul4 s PHE 94 N -2.35 3.00 -0.54 5.12 2.19 -1.26 -0.91 117.98 123.23 1ul4 s PHE 94 Ca 0.32 0.80 -0.23 0.00 0.33 0.00 0.00 56.93 58.14 1ul4 s PHE 94 Cb -0.06 -3.93 0.04 0.00 -1.31 0.00 0.00 43.02 37.77 1ul4 s PHE 94 CO 0.20 -0.98 0.88 0.00 1.83 0.00 0.00 175.22 177.15 1ul4 h GLN 96 N 9.24 0.00 -0.62 0.00 -0.00 -1.94 0.27 115.11 122.06 1ul4 h GLN 96 Ca -0.26 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.30 1ul4 h GLN 96 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.53 1ul4 h GLN 96 CO 1.06 0.08 0.03 1.96 0.00 0.00 0.00 178.83 181.96 1ul4 h GLN 97 N 0.00 1.06 -0.08 1.69 1.08 -1.92 -3.18 115.11 113.77 1ul4 h GLN 97 Ca -0.00 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1ul4 h GLN 97 Cb 0.32 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1ul4 h GLN 97 CO 0.01 1.02 0.00 0.00 -0.95 0.00 0.00 178.83 178.91 1ul4 n SER 99 N -0.96 -1.87 -4.10 0.00 2.88 0.89 -4.87 113.62 105.59 1ul4 n SER 99 Ca 0.14 0.22 -0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1ul4 n SER 99 Cb 0.62 -1.88 -0.09 0.00 -0.75 0.00 0.00 64.21 62.10 1ul4 n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ul4 s ARG 100 N -3.41 1.55 0.42 -1.46 1.70 -0.89 -4.92 118.95 111.95 1ul4 s ARG 100 Ca 0.00 -1.88 -0.11 0.00 -0.47 0.00 0.00 55.73 53.27 1ul4 s ARG 100 Cb 0.00 -0.17 -0.06 0.00 -0.57 0.00 0.00 34.95 34.14 1ul4 s ARG 100 CO 0.00 -0.40 0.80 -0.06 -1.08 0.00 0.00 175.30 174.55 1ul4 s PHE 101 N -3.63 3.47 0.19 5.89 0.40 -1.26 0.11 117.98 123.16 1ul4 s PHE 101 Ca 0.36 1.08 -0.03 0.00 -0.60 0.00 0.00 56.93 57.74 1ul4 s PHE 101 Cb 0.06 -2.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.08 1ul4 s PHE 101 CO 0.16 -0.15 0.18 -1.01 0.70 0.00 0.00 175.22 175.11 1ul4 s HIS 102 N -2.42 0.93 0.60 0.36 3.76 -0.08 -4.81 115.29 113.62 1ul4 s HIS 102 Ca 0.52 -1.21 -0.20 0.00 -0.15 0.00 0.00 55.06 54.02 1ul4 s HIS 102 Cb -0.10 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.16 1ul4 s HIS 102 CO 0.32 -0.68 1.29 -3.47 -0.85 0.00 0.00 174.74 171.35 1ul4 n ASP 103 N -0.26 2.22 0.10 1.40 -0.08 -1.26 -1.70 116.55 116.98 1ul4 n ASP 103 Ca -0.00 0.89 0.11 0.00 -1.51 0.00 0.00 54.79 54.27 1ul4 n ASP 103 Cb 0.65 -1.55 0.45 0.00 2.34 0.00 0.00 41.12 43.01 1ul4 n ASP 103 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1ul4 n LEU 104 N -1.42 0.52 -1.11 -2.67 7.94 -0.93 -2.28 117.00 117.06 1ul4 n LEU 104 Ca 0.13 0.64 0.04 0.00 -1.11 0.00 0.00 56.01 55.71 1ul4 n LEU 104 Cb 0.46 -0.58 0.20 0.00 0.53 0.00 0.00 43.42 44.04 1ul4 n LEU 104 CO 0.50 -0.52 0.58 0.00 -1.11 0.00 0.00 177.39 176.84 1ul4 n GLN 105 N -2.08 2.76 -0.07 1.96 6.02 -1.26 -3.81 117.38 120.90 1ul4 n GLN 105 Ca 0.02 -1.56 -0.07 0.00 -0.01 0.00 0.00 57.00 55.39 1ul4 n GLN 105 Cb 0.20 -1.77 -0.10 0.00 1.02 0.00 0.00 30.24 29.59 1ul4 n GLN 105 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ul4 n GLU 106 N 0.38 1.76 -4.00 -1.09 1.02 -0.96 -5.00 120.64 112.75 1ul4 n GLU 106 Ca 0.14 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.00 1ul4 n GLU 106 Cb 0.65 -1.33 -0.05 0.00 -0.02 0.00 0.00 31.44 30.69 1ul4 n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ul4 s PHE 107 N -2.32 3.34 0.18 -0.32 0.40 -1.25 -4.87 117.98 113.15 1ul4 s PHE 107 Ca -0.08 0.10 -0.20 0.00 -0.60 0.00 0.00 56.93 56.16 1ul4 s PHE 107 Cb 0.04 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.98 1ul4 s PHE 107 CO 0.52 0.53 0.56 -0.51 0.70 0.00 0.00 175.22 177.02 1ul4 s ASP 108 N -2.87 -0.37 0.00 1.36 1.11 -1.26 -4.92 116.67 109.72 1ul4 s ASP 108 Ca 0.33 -0.29 0.00 0.00 0.18 0.00 0.00 52.55 52.77 1ul4 s ASP 108 Cb -0.11 0.59 0.00 0.00 1.07 0.00 0.00 42.92 44.46 1ul4 s ASP 108 CO 0.26 -1.03 0.00 -0.62 1.18 0.00 0.00 175.17 174.96 1ul4 n GLU 109 N -0.35 0.00 -2.77 8.23 1.02 -1.26 -1.69 120.64 123.81 1ul4 n GLU 109 Ca -0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.00 1ul4 n GLU 109 Cb 0.63 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 32.13 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 1.55 2.69 -2.49 0.62 0.00 -1.26 -5.07 120.51 116.55 1ul4 n ALA 110 Ca 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 53.44 51.18 1ul4 n ALA 110 Cb 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.83 -3.90 -1.04 0.00 4.01 -0.68 -4.90 118.16 110.82 1ul4 n LYS 111 Ca -0.00 3.02 -0.14 0.00 -0.51 0.00 0.00 58.31 60.67 1ul4 n LYS 111 Cb 0.83 -4.69 0.22 0.00 -0.51 0.00 0.00 35.03 30.87 1ul4 n LYS 111 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1ul4 n ARG 112 N 1.32 2.77 -1.42 1.97 0.63 -1.26 -4.95 116.66 115.73 1ul4 n ARG 112 Ca -0.30 -2.76 0.19 0.00 -0.92 0.00 0.00 57.85 54.06 1ul4 n ARG 112 Cb 0.47 -2.10 -0.06 0.00 0.45 0.00 0.00 32.46 31.22 1ul4 n ARG 112 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1ul4 n SER 113 N -0.58 -8.47 -3.38 6.15 7.64 -1.26 -4.86 113.62 108.86 1ul4 n SER 113 Ca 0.47 0.77 -0.30 0.00 1.01 0.00 0.00 58.87 60.82 1ul4 n SER 113 Cb 1.45 -4.43 0.29 0.00 -1.01 0.00 0.00 64.21 60.51 1ul4 n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ul4 n ARG 115 N -5.57 0.67 -0.02 0.00 1.85 -1.26 -4.58 116.66 107.74 1ul4 n ARG 115 Ca 0.12 -2.05 -0.02 0.00 -1.00 0.00 0.00 57.85 54.91 1ul4 n ARG 115 Cb 0.59 -0.91 -0.01 0.00 -1.05 0.00 0.00 32.46 31.08 1ul4 n ARG 115 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1ul4 h ARG 116 N 0.34 0.00 0.00 2.89 9.65 -1.94 -3.37 114.38 121.95 1ul4 h ARG 116 Ca -0.04 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.54 1ul4 h ARG 116 Cb 1.29 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.82 1ul4 h ARG 116 CO 0.02 0.00 -1.80 -2.13 2.80 0.00 0.00 179.97 178.86 1ul4 n ARG 117 N -3.04 0.64 0.07 0.20 3.00 -1.26 -4.28 116.66 111.99 1ul4 n ARG 117 Ca -0.02 0.26 -0.13 0.00 -0.00 0.00 0.00 57.85 57.96 1ul4 n ARG 117 Cb 0.09 -1.76 -0.07 0.00 0.00 0.00 0.00 32.46 30.71 1ul4 n ARG 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1ul4 h LEU 118 N 0.00 -0.09 -8.51 6.15 5.85 -1.84 -3.39 115.31 113.49 1ul4 h LEU 118 Ca -0.32 -0.03 -0.40 0.00 0.84 0.00 0.00 57.88 57.97 1ul4 h LEU 118 Cb 2.04 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 43.09 1ul4 h LEU 118 CO 0.07 -0.03 1.27 0.00 -0.34 0.00 0.00 178.44 179.42 1ul4 s ALA 119 N -6.03 1.63 -0.80 1.25 0.00 -1.26 -4.84 121.76 111.72 1ul4 s ALA 119 Ca -0.14 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 1ul4 s ALA 119 Cb 0.05 -4.38 -0.12 0.00 0.00 0.00 0.00 23.12 18.67 1ul4 s ALA 119 CO 0.65 -4.56 1.97 0.41 0.00 0.00 0.00 175.76 174.23 1ul4 n GLY 120 N 6.10 2.74 2.92 0.00 0.00 -1.26 -4.76 105.19 110.93 1ul4 n GLY 120 Ca 0.34 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 1ul4 n GLY 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ul4 s HIS 121 N 4.44 3.07 0.32 1.61 5.04 -1.26 -5.10 115.29 123.41 1ul4 s HIS 121 Ca 0.50 -2.89 0.07 0.00 -1.54 0.00 0.00 55.06 51.20 1ul4 s HIS 121 Cb 0.13 -2.62 -0.03 0.00 0.04 0.00 0.00 32.58 30.10 1ul4 s HIS 121 CO 0.06 -0.83 0.29 -0.80 -2.34 0.00 0.00 174.74 171.12 1ul4 s ASN 122 N 0.36 5.39 -0.76 9.88 0.01 -1.26 -5.08 114.94 123.49 1ul4 s ASN 122 Ca 0.14 -0.42 0.03 0.00 -0.71 0.00 0.00 52.86 51.90 1ul4 s ASN 122 Cb -0.23 -1.08 0.20 0.00 0.41 0.00 0.00 41.25 40.56 1ul4 s ASN 122 CO -0.05 -0.30 0.65 -0.62 -1.51 0.00 0.00 177.10 175.27 1ul4 n GLU 123 N -1.36 2.26 0.00 -0.60 1.02 -1.26 -4.74 120.64 115.97 1ul4 n GLU 123 Ca -0.03 -4.53 0.00 0.00 -0.02 0.00 0.00 57.16 52.58 1ul4 n GLU 123 Cb 0.59 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1ul4 n GLU 123 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ul4 n ARG 124 N 1.80 0.00 -4.29 3.49 5.12 -1.26 -5.08 116.66 116.44 1ul4 n ARG 124 Ca 0.23 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.80 1ul4 n ARG 124 Cb 0.37 -0.20 -0.11 0.00 -1.16 0.00 0.00 32.46 31.36 1ul4 n ARG 124 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1ul4 s ARG 125 N -1.76 3.62 -0.38 5.56 6.06 -1.26 -5.02 118.95 125.77 1ul4 s ARG 125 Ca 0.00 -0.45 -0.03 0.00 -2.50 0.00 0.00 55.73 52.75 1ul4 s ARG 125 Cb 0.00 -2.97 0.22 0.00 0.06 0.00 0.00 34.95 32.26 1ul4 s ARG 125 CO 0.00 0.35 1.05 0.54 -2.50 0.00 0.00 175.30 174.74 1ul4 n ARG 126 N 3.24 0.21 -2.71 5.12 3.00 -1.26 -5.05 116.66 119.21 1ul4 n ARG 126 Ca -0.17 -1.02 -0.07 0.00 -0.01 0.00 0.00 57.85 56.57 1ul4 n ARG 126 Cb 0.53 -0.26 0.10 0.00 0.00 0.00 0.00 32.46 32.83 1ul4 n ARG 126 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1ul4 n LYS 127 N 2.45 1.04 -2.86 5.56 2.85 -1.26 -5.06 118.16 120.89 1ul4 n LYS 127 Ca 0.11 -1.77 -0.02 0.00 -1.05 0.00 0.00 58.31 55.58 1ul4 n LYS 127 Cb 0.64 -0.42 0.01 0.00 -0.65 0.00 0.00 35.03 34.61 1ul4 n LYS 127 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1ul4 s SER 128 N -1.14 -1.26 -0.11 -5.58 0.01 -1.26 -5.04 113.70 99.32 1ul4 s SER 128 Ca 0.21 -1.25 -0.13 0.00 1.31 0.00 0.00 55.95 56.09 1ul4 s SER 128 Cb 0.34 1.64 -0.04 0.00 0.21 0.00 0.00 66.02 68.17 1ul4 s SER 128 CO -0.07 -0.07 -0.25 -1.20 0.41 0.00 0.00 173.24 172.05 1ul4 n SER 129 N 3.29 1.67 0.00 2.44 7.64 -1.26 -5.06 113.62 122.33 1ul4 n SER 129 Ca 0.15 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1ul4 n SER 129 Cb 0.58 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1ul4 n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ul4 n GLY 130 N 1.96 1.40 0.00 0.23 0.00 -1.26 -5.33 105.19 102.18 1ul4 n GLY 130 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50