#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 4.05 -0.04 3.23 1.81 -1.26 -3.75 118.95 123.00 1ul4 s ARG 52 Ca 0.00 -3.02 0.11 0.00 -1.72 0.00 0.00 55.73 51.10 1ul4 s ARG 52 Cb 0.00 -4.53 -0.16 0.00 -0.45 0.00 0.00 34.95 29.80 1ul4 s ARG 52 CO 0.00 -1.26 0.19 1.28 -0.68 0.00 0.00 175.30 174.83 1ul4 n LEU 53 N 3.06 0.00 -4.66 2.53 4.77 -1.26 -5.00 117.00 116.44 1ul4 n LEU 53 Ca 0.22 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.71 1ul4 n LEU 53 Cb 0.41 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1ul4 n LEU 53 CO 0.44 0.06 1.23 0.00 -1.33 0.00 0.00 177.39 177.79 1ul4 h GLN 55 N 6.61 0.13 -6.21 0.00 3.07 -1.92 -3.43 115.11 113.37 1ul4 h GLN 55 Ca -0.46 -0.05 -0.55 0.00 0.09 0.00 0.00 58.65 57.68 1ul4 h GLN 55 Cb 1.28 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.84 1ul4 h GLN 55 CO 0.89 0.43 1.33 0.08 0.09 0.00 0.00 178.83 181.65 1ul4 s VAL 56 N -4.36 3.04 0.62 1.86 1.01 -1.26 -4.95 120.40 116.35 1ul4 s VAL 56 Ca -0.04 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1ul4 s VAL 56 Cb 0.14 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1ul4 s VAL 56 CO 0.74 -0.01 1.08 -1.81 0.00 0.00 0.00 175.10 175.10 1ul4 s ASP 57 N 5.96 5.51 -1.75 3.32 1.11 -1.26 -3.39 116.67 126.16 1ul4 s ASP 57 Ca 0.93 1.92 0.00 0.00 0.18 0.00 0.00 52.55 55.57 1ul4 s ASP 57 Cb -0.38 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.06 1ul4 s ASP 57 CO 0.39 -1.36 0.00 0.54 1.18 0.00 0.00 175.17 175.92 1ul4 n ARG 58 N -2.13 -1.61 -2.43 8.23 5.12 -1.26 -4.86 116.66 117.72 1ul4 n ARG 58 Ca 0.10 0.99 -0.35 0.00 -1.93 0.00 0.00 57.85 56.66 1ul4 n ARG 58 Cb 0.52 -5.61 -0.02 0.00 -1.16 0.00 0.00 32.46 26.19 1ul4 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ul4 n THR 60 N -0.79 0.70 -1.97 0.00 -2.24 -1.26 -5.00 114.28 103.71 1ul4 n THR 60 Ca 0.09 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1ul4 n THR 60 Cb 0.51 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.25 3.58 -0.05 6.98 0.00 -1.26 -4.99 121.76 123.78 1ul4 s ALA 61 Ca -0.08 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 1ul4 s ALA 61 Cb 0.03 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1ul4 s ALA 61 CO 0.38 -0.81 0.46 0.34 0.00 0.00 0.00 175.76 176.12 1ul4 s ASP 62 N -0.04 6.78 -0.48 0.00 -1.08 -1.26 -4.98 116.67 115.61 1ul4 s ASP 62 Ca 0.55 0.92 0.03 0.00 -0.52 0.00 0.00 52.55 53.53 1ul4 s ASP 62 Cb -0.43 -2.28 0.50 0.00 -1.46 0.00 0.00 42.92 39.26 1ul4 s ASP 62 CO 0.52 0.17 1.74 0.23 0.52 0.00 0.00 175.17 178.34 1ul4 n MET 63 N 2.68 2.63 -0.01 4.34 2.81 -1.25 -4.64 117.12 123.69 1ul4 n MET 63 Ca -0.10 -3.40 -0.02 0.00 -1.81 0.00 0.00 57.70 52.36 1ul4 n MET 63 Cb 0.52 -2.18 0.24 0.00 -0.71 0.00 0.00 33.22 31.09 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 1.66 0.55 -2.28 0.03 3.64 -1.94 -3.38 116.57 114.85 1ul4 h LYS 64 Ca 0.49 -0.16 -0.53 0.00 -1.27 0.00 0.00 60.65 59.18 1ul4 h LYS 64 Cb 1.51 -0.06 -0.36 0.00 -0.41 0.00 0.00 32.23 32.91 1ul4 h LYS 64 CO 1.11 0.65 -0.88 -1.21 -2.27 0.00 0.00 179.45 176.84 1ul4 s GLU 65 N -4.78 0.79 0.64 1.90 2.02 -1.26 -4.89 118.70 113.12 1ul4 s GLU 65 Ca -0.08 -1.70 0.03 0.00 0.02 0.00 0.00 54.97 53.25 1ul4 s GLU 65 Cb 0.15 -1.21 0.10 0.00 0.10 0.00 0.00 34.13 33.26 1ul4 s GLU 65 CO 0.78 -1.32 0.89 0.00 0.02 0.00 0.00 175.26 175.63 1ul4 s ALA 66 N 0.52 4.10 0.61 5.21 0.00 -1.26 -5.12 121.76 125.82 1ul4 s ALA 66 Ca 0.27 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.41 1ul4 s ALA 66 Cb -0.05 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.32 1ul4 s ALA 66 CO -0.12 -1.14 0.84 0.15 0.00 0.00 0.00 175.76 175.50 1ul4 s LYS 67 N -4.91 2.26 0.49 0.00 -0.14 -1.26 -4.94 119.74 111.23 1ul4 s LYS 67 Ca 0.63 -0.93 0.14 0.00 -1.36 0.00 0.00 55.97 54.45 1ul4 s LYS 67 Cb -0.06 -2.45 1.16 0.00 -1.68 0.00 0.00 37.83 34.80 1ul4 s LYS 67 CO 0.41 -0.95 2.11 1.37 -0.76 0.00 0.00 175.35 177.54 1ul4 h LEU 68 N -0.11 0.14 0.00 3.17 8.10 -2.00 -1.28 115.31 123.33 1ul4 h LEU 68 Ca -0.40 -0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.38 1ul4 h LEU 68 Cb 1.29 -0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 41.44 1ul4 h LEU 68 CO 0.48 0.10 -1.03 0.22 -4.11 0.00 0.00 178.44 174.10 1ul4 h TYR 69 N 0.16 0.00 -0.91 0.17 5.03 -1.99 -3.27 116.97 116.16 1ul4 h TYR 69 Ca 0.06 0.00 -0.51 0.00 2.58 0.00 0.00 58.73 60.86 1ul4 h TYR 69 Cb 0.04 0.00 -0.28 0.00 1.55 0.00 0.00 36.73 38.04 1ul4 h TYR 69 CO -0.00 0.97 0.65 0.72 -1.32 0.00 0.00 178.16 179.18 1ul4 n HIS 70 N -3.32 2.83 0.01 -3.82 8.25 -0.53 -4.10 115.22 114.55 1ul4 n HIS 70 Ca -0.01 -2.01 0.00 0.00 -0.26 0.00 0.00 57.72 55.44 1ul4 n HIS 70 Cb 0.94 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1ul4 n HIS 70 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ul4 n ARG 71 N -0.92 0.00 0.06 -0.41 1.74 -0.91 -4.17 116.66 112.05 1ul4 n ARG 71 Ca 0.55 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.62 1ul4 n ARG 71 Cb 1.34 -0.35 0.28 0.00 -1.02 0.00 0.00 32.46 32.71 1ul4 n ARG 71 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1ul4 h ARG 72 N 0.00 0.36 0.00 5.56 2.43 -1.75 -2.86 114.38 118.12 1ul4 h ARG 72 Ca 0.00 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 58.90 1ul4 h ARG 72 Cb 0.57 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1ul4 h ARG 72 CO 0.00 0.55 -1.32 0.45 -1.51 0.00 0.00 179.97 178.14 1ul4 h HIS 73 N 0.33 0.00 -4.72 2.20 3.86 -1.87 -3.49 115.15 111.46 1ul4 h HIS 73 Ca 0.06 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.06 1ul4 h HIS 73 Cb 0.54 0.00 0.14 0.00 1.06 0.00 0.00 27.41 29.15 1ul4 h HIS 73 CO 0.01 0.54 -0.60 1.63 0.86 0.00 0.00 177.93 180.38 1ul4 n LYS 74 N -2.91 -3.13 -3.84 2.45 5.02 -1.08 -4.94 118.16 109.74 1ul4 n LYS 74 Ca -0.08 0.63 -0.12 0.00 -2.02 0.00 0.00 58.31 56.71 1ul4 n LYS 74 Cb 0.82 -4.80 -0.12 0.00 -0.02 0.00 0.00 35.03 30.91 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 -3.27 0.01 0.56 -0.18 0.11 -1.26 -3.66 120.40 112.72 1ul4 s VAL 75 Ca 0.18 -0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1ul4 s VAL 75 Cb -0.02 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1ul4 s VAL 75 CO 0.54 -0.06 1.07 0.00 -3.33 0.00 0.00 175.10 173.31 1ul4 h GLU 77 N 0.82 0.51 0.02 0.00 4.81 -1.99 0.83 114.58 119.58 1ul4 h GLU 77 Ca -0.48 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 58.51 1ul4 h GLU 77 Cb 1.23 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1ul4 h GLU 77 CO 0.57 0.34 -0.98 0.28 -0.73 0.00 0.00 179.01 178.50 1ul4 h VAL 78 N 0.53 1.64 0.00 0.32 2.07 -1.94 -3.12 116.25 115.75 1ul4 h VAL 78 Ca 0.15 -3.17 -0.21 0.00 0.82 0.00 0.00 66.70 64.29 1ul4 h VAL 78 Cb -0.05 2.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1ul4 h VAL 78 CO -0.03 0.91 -1.12 0.45 0.02 0.00 0.00 177.57 177.80 1ul4 h HIS 79 N 0.02 0.00 0.47 1.57 3.86 -1.65 -2.98 115.15 116.44 1ul4 h HIS 79 Ca -0.03 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1ul4 h HIS 79 Cb 1.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.17 1ul4 h HIS 79 CO 0.01 0.90 -0.22 0.00 0.86 0.00 0.00 177.93 179.48 1ul4 h ALA 80 N 1.10 -0.63 -1.00 2.45 0.00 0.60 -3.23 119.26 118.56 1ul4 h ALA 80 Ca -0.08 -0.19 -0.69 0.00 0.00 0.00 0.00 54.91 53.95 1ul4 h ALA 80 Cb 1.76 0.24 -0.29 0.00 0.00 0.00 0.00 17.79 19.50 1ul4 h ALA 80 CO 0.10 -0.71 0.86 1.17 0.00 0.00 0.00 179.25 180.67 1ul4 n LYS 81 N -5.25 2.72 -2.01 0.00 4.81 -1.18 -4.44 118.16 112.81 1ul4 n LYS 81 Ca -0.11 -3.34 -0.29 0.00 -0.87 0.00 0.00 58.31 53.71 1ul4 n LYS 81 Cb 0.30 -2.29 0.17 0.00 0.02 0.00 0.00 35.03 33.23 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 -3.85 2.47 -0.14 3.14 0.00 -1.12 -4.99 121.76 117.27 1ul4 s ALA 82 Ca 0.63 -1.21 0.12 0.00 0.00 0.00 0.00 51.96 51.51 1ul4 s ALA 82 Cb 0.50 -2.70 -0.17 0.00 0.00 0.00 0.00 23.12 20.75 1ul4 s ALA 82 CO -0.05 -2.23 0.05 0.43 0.00 0.00 0.00 175.76 173.96 1ul4 n SER 83 N -3.60 1.59 -3.15 0.00 7.64 -1.26 -4.92 113.62 109.92 1ul4 n SER 83 Ca 0.14 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.08 1ul4 n SER 83 Cb 0.60 0.85 -0.00 0.00 -1.01 0.00 0.00 64.21 64.64 1ul4 n SER 83 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ul4 s SER 84 N -4.69 -0.61 0.26 6.43 1.04 -1.26 -4.97 113.70 109.90 1ul4 s SER 84 Ca -0.07 0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.52 1ul4 s SER 84 Cb 0.04 1.42 -0.04 0.00 0.10 0.00 0.00 66.02 67.54 1ul4 s SER 84 CO 0.57 -0.11 0.43 -0.69 0.98 0.00 0.00 173.24 174.42 1ul4 s VAL 85 N 2.94 5.18 -0.49 5.02 1.01 -1.03 -4.95 120.40 128.09 1ul4 s VAL 85 Ca 0.18 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1ul4 s VAL 85 Cb -0.05 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1ul4 s VAL 85 CO -0.20 -0.33 0.54 0.12 0.00 0.00 0.00 175.10 175.23 1ul4 s PHE 86 N -2.04 3.12 -0.10 5.22 5.36 -1.26 -2.65 117.98 125.63 1ul4 s PHE 86 Ca 0.38 -0.62 -0.00 0.00 -0.96 0.00 0.00 56.93 55.73 1ul4 s PHE 86 Cb -0.10 -3.36 0.02 0.00 -0.34 0.00 0.00 43.02 39.24 1ul4 s PHE 86 CO 0.31 -0.93 -0.07 -1.17 -1.46 0.00 0.00 175.22 171.90 1ul4 s LEU 87 N 2.31 1.20 -1.89 6.12 0.20 -0.99 -4.42 118.68 121.21 1ul4 s LEU 87 Ca 0.12 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.67 1ul4 s LEU 87 Cb -0.20 -0.78 0.00 0.00 -0.43 0.00 0.00 46.19 44.78 1ul4 s LEU 87 CO 0.11 -0.10 0.00 -1.20 -0.29 0.00 0.00 176.35 174.87 1ul4 n SER 88 N 4.75 -5.52 0.00 3.68 7.64 -1.26 -2.43 113.62 120.48 1ul4 n SER 88 Ca -0.14 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1ul4 n SER 88 Cb 0.50 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 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 -0.72 2.19 3.88 0.23 0.00 -1.26 -4.99 105.19 104.52 1ul4 n GLY 89 Ca -0.22 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 2.89 0.34 0.99 1.02 -1.02 -5.00 118.68 117.90 1ul4 s LEU 90 Ca 0.00 1.13 -0.25 0.00 0.02 0.00 0.00 54.13 55.03 1ul4 s LEU 90 Cb 0.00 -3.92 -0.10 0.00 0.02 0.00 0.00 46.19 42.19 1ul4 s LEU 90 CO 0.00 -1.36 0.94 0.20 0.02 0.00 0.00 176.35 176.16 1ul4 s ASN 91 N -4.35 7.28 0.13 2.29 -0.87 -1.26 -2.34 114.94 115.81 1ul4 s ASN 91 Ca 0.58 1.81 -0.13 0.00 -1.57 0.00 0.00 52.86 53.56 1ul4 s ASN 91 Cb -0.11 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.56 1ul4 s ASN 91 CO 0.52 -0.11 0.33 -1.10 -2.57 0.00 0.00 177.10 174.16 1ul4 s GLN 92 N -2.23 1.05 0.02 -0.60 -0.21 -1.08 -1.62 119.66 114.98 1ul4 s GLN 92 Ca 0.52 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 55.02 1ul4 s GLN 92 Cb -0.17 0.42 -0.01 0.00 1.00 0.00 0.00 33.01 34.24 1ul4 s GLN 92 CO 0.22 -0.39 -0.03 1.03 -2.12 0.00 0.00 175.29 174.00 1ul4 s ARG 93 N -3.86 0.27 0.13 2.91 1.81 -0.99 -2.47 118.95 116.75 1ul4 s ARG 93 Ca 0.07 -0.46 -0.31 0.00 -1.72 0.00 0.00 55.73 53.31 1ul4 s ARG 93 Cb 0.03 0.01 -0.09 0.00 -0.45 0.00 0.00 34.95 34.45 1ul4 s ARG 93 CO -0.09 -0.02 1.57 0.12 -0.68 0.00 0.00 175.30 176.21 1ul4 s PHE 94 N -1.03 2.90 -0.50 -0.53 5.36 -1.26 -2.55 117.98 120.36 1ul4 s PHE 94 Ca -0.10 0.58 -0.05 0.00 -0.96 0.00 0.00 56.93 56.39 1ul4 s PHE 94 Cb -0.07 -3.91 0.13 0.00 -0.34 0.00 0.00 43.02 38.83 1ul4 s PHE 94 CO -0.01 -3.43 0.34 0.00 -1.46 0.00 0.00 175.22 170.66 1ul4 h GLN 96 N 7.92 0.00 -0.34 0.00 3.07 -1.92 0.16 115.11 124.00 1ul4 h GLN 96 Ca -0.12 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.67 1ul4 h GLN 96 Cb 1.03 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.55 1ul4 h GLN 96 CO 0.76 0.00 0.09 0.37 0.09 0.00 0.00 178.83 180.13 1ul4 h GLN 97 N 0.00 0.21 -0.27 0.06 -0.00 -1.91 -2.77 115.11 110.43 1ul4 h GLN 97 Ca 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1ul4 h GLN 97 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 1ul4 h GLN 97 CO -0.00 0.14 0.00 0.00 0.00 0.00 0.00 178.83 178.97 1ul4 n SER 99 N -0.56 -1.63 -2.07 0.00 2.88 0.49 -4.84 113.62 107.89 1ul4 n SER 99 Ca 0.22 0.25 -0.08 0.00 -1.33 0.00 0.00 58.87 57.93 1ul4 n SER 99 Cb 0.90 -1.65 -0.03 0.00 -0.75 0.00 0.00 64.21 62.69 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 -1.97 0.44 -4.12 -1.46 1.85 -0.83 -4.94 116.66 105.64 1ul4 n ARG 100 Ca -0.05 -1.26 -0.25 0.00 -1.00 0.00 0.00 57.85 55.29 1ul4 n ARG 100 Cb 0.35 0.88 -0.06 0.00 -1.05 0.00 0.00 32.46 32.58 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 -2.33 3.08 0.18 2.89 0.40 -1.26 0.12 117.98 121.05 1ul4 s PHE 101 Ca 0.12 -0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1ul4 s PHE 101 Cb 0.01 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1ul4 s PHE 101 CO 0.08 0.52 0.12 -1.01 0.70 0.00 0.00 175.22 175.63 1ul4 s HIS 102 N -1.85 1.02 0.53 0.36 3.76 -1.06 -4.89 115.29 113.16 1ul4 s HIS 102 Ca 0.31 -1.30 -0.21 0.00 -0.15 0.00 0.00 55.06 53.71 1ul4 s HIS 102 Cb -0.09 -0.50 -0.06 0.00 1.11 0.00 0.00 32.58 33.04 1ul4 s HIS 102 CO 0.23 -0.61 1.17 0.34 -0.85 0.00 0.00 174.74 175.02 1ul4 s ASP 103 N -3.11 5.72 0.45 1.40 -1.08 -1.26 -2.36 116.67 116.42 1ul4 s ASP 103 Ca 0.33 2.31 0.13 0.00 -0.52 0.00 0.00 52.55 54.80 1ul4 s ASP 103 Cb 0.07 -2.60 1.00 0.00 -1.46 0.00 0.00 42.92 39.93 1ul4 s ASP 103 CO 0.08 -1.23 2.01 0.25 0.52 0.00 0.00 175.17 176.80 1ul4 h LEU 104 N 1.43 0.07 -2.57 -1.34 5.85 -1.65 -1.61 115.31 115.50 1ul4 h LEU 104 Ca -0.50 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 1ul4 h LEU 104 Cb 1.27 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ul4 h LEU 104 CO 0.58 0.20 -0.02 1.56 -0.34 0.00 0.00 178.44 180.42 1ul4 h GLN 105 N 0.08 0.00 0.22 1.25 7.50 -1.91 -2.27 115.11 119.97 1ul4 h GLN 105 Ca 0.02 0.00 -0.30 0.00 0.50 0.00 0.00 58.65 58.87 1ul4 h GLN 105 Cb 0.25 0.00 0.03 0.00 0.05 0.00 0.00 27.48 27.82 1ul4 h GLN 105 CO 0.02 0.02 -1.29 0.93 -1.50 0.00 0.00 178.83 177.00 1ul4 h GLU 106 N 0.00 0.49 -7.33 1.46 5.08 -1.66 -3.46 114.58 109.16 1ul4 h GLU 106 Ca -0.00 -0.82 -0.51 0.00 -1.00 0.00 0.00 59.36 57.03 1ul4 h GLU 106 Cb 0.09 0.30 0.08 0.00 0.50 0.00 0.00 28.75 29.73 1ul4 h GLU 106 CO 0.00 1.39 0.39 -0.06 -1.00 0.00 0.00 179.01 179.73 1ul4 s PHE 107 N -2.58 3.27 0.07 4.33 0.08 -0.86 -4.92 117.98 117.37 1ul4 s PHE 107 Ca -0.10 1.39 -0.21 0.00 0.12 0.00 0.00 56.93 58.12 1ul4 s PHE 107 Cb 0.03 -2.84 0.07 0.00 -0.57 0.00 0.00 43.02 39.72 1ul4 s PHE 107 CO 0.92 -1.04 1.00 -3.47 -0.10 0.00 0.00 175.22 172.52 1ul4 n ASP 108 N -2.90 -1.25 -3.20 1.36 -0.08 -1.25 -4.96 116.55 104.27 1ul4 n ASP 108 Ca 0.07 -1.48 -0.27 0.00 -1.51 0.00 0.00 54.79 51.60 1ul4 n ASP 108 Cb 0.54 1.98 0.26 0.00 2.34 0.00 0.00 41.12 46.24 1ul4 n ASP 108 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ul4 n GLU 109 N -0.71 -4.53 0.00 -0.67 1.02 -1.26 -4.08 120.64 110.42 1ul4 n GLU 109 Ca 0.01 -1.29 0.00 0.00 -0.02 0.00 0.00 57.16 55.86 1ul4 n GLU 109 Cb 0.50 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 -5.49 0.00 -2.71 0.62 0.00 -1.26 -4.65 120.51 107.03 1ul4 n ALA 110 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.95 1ul4 n ALA 110 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1ul4 n ALA 110 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ul4 s LYS 111 N 0.00 2.81 -0.29 0.00 -0.14 -1.26 -5.03 119.74 115.83 1ul4 s LYS 111 Ca 0.00 -0.64 0.20 0.00 -1.36 0.00 0.00 55.97 54.18 1ul4 s LYS 111 Cb 0.00 -2.69 0.48 0.00 -1.68 0.00 0.00 37.83 33.94 1ul4 s LYS 111 CO 0.00 0.61 1.08 0.54 -0.76 0.00 0.00 175.35 176.81 1ul4 n ARG 112 N 1.11 1.47 -2.91 1.68 3.00 -1.26 -3.88 116.66 115.87 1ul4 n ARG 112 Ca -0.13 -3.25 -0.13 0.00 -0.01 0.00 0.00 57.85 54.33 1ul4 n ARG 112 Cb 0.52 -1.33 0.03 0.00 0.00 0.00 0.00 32.46 31.69 1ul4 n ARG 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1ul4 n SER 113 N -0.43 0.05 -1.38 0.55 7.64 -1.26 -4.93 113.62 113.85 1ul4 n SER 113 Ca 0.06 -3.00 0.17 0.00 1.01 0.00 0.00 58.87 57.11 1ul4 n SER 113 Cb 0.81 0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 64.02 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 -4.24 0.96 0.00 0.00 0.63 -1.26 -4.51 116.66 108.24 1ul4 n ARG 115 Ca -0.07 -2.40 0.00 0.00 -0.92 0.00 0.00 57.85 54.46 1ul4 n ARG 115 Cb 0.65 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.41 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 -0.84 0.00 -0.05 -0.14 0.63 -1.26 -4.36 116.66 110.64 1ul4 n ARG 116 Ca 0.12 0.24 -0.10 0.00 -0.92 0.00 0.00 57.85 57.20 1ul4 n ARG 116 Cb 0.73 -0.74 -0.15 0.00 0.45 0.00 0.00 32.46 32.75 1ul4 n ARG 116 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ul4 n ARG 117 N -2.24 0.66 -0.22 -0.14 0.63 -1.26 -4.29 116.66 109.80 1ul4 n ARG 117 Ca 0.00 0.18 -0.05 0.00 -0.92 0.00 0.00 57.85 57.06 1ul4 n ARG 117 Cb 0.00 -1.68 0.05 0.00 0.45 0.00 0.00 32.46 31.29 1ul4 n ARG 117 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1ul4 h LEU 118 N 0.00 0.66 -8.64 6.15 7.12 -1.80 -3.39 115.31 115.41 1ul4 h LEU 118 Ca -0.40 -0.01 -0.47 0.00 0.13 0.00 0.00 57.88 57.13 1ul4 h LEU 118 Cb 2.10 -0.15 0.01 0.00 -0.53 0.00 0.00 40.66 42.09 1ul4 h LEU 118 CO 0.06 0.47 1.62 0.00 -0.13 0.00 0.00 178.44 180.45 1ul4 s ALA 119 N -6.13 1.73 -0.29 1.25 0.00 -1.26 -4.92 121.76 112.13 1ul4 s ALA 119 Ca -0.13 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 1ul4 s ALA 119 Cb 0.14 -4.32 -0.02 0.00 0.00 0.00 0.00 23.12 18.92 1ul4 s ALA 119 CO 0.76 -4.32 0.54 0.20 0.00 0.00 0.00 175.76 172.94 1ul4 s GLY 120 N 11.82 1.82 -0.01 0.00 0.00 -1.26 -4.95 107.32 114.74 1ul4 s GLY 120 Ca 0.97 -0.71 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 1ul4 s GLY 120 CO 0.27 1.30 1.81 -1.58 0.00 0.00 0.00 173.10 174.90 1ul4 s HIS 121 N 2.41 1.62 -1.04 1.90 2.46 -1.26 -4.88 115.29 116.50 1ul4 s HIS 121 Ca 0.22 -0.13 -0.23 0.00 0.47 0.00 0.00 55.06 55.38 1ul4 s HIS 121 Cb -0.15 -4.08 -0.06 0.00 -0.13 0.00 0.00 32.58 28.16 1ul4 s HIS 121 CO 0.11 -4.71 1.91 -0.80 -2.47 0.00 0.00 174.74 168.78 1ul4 s ASN 122 N 3.92 5.21 0.39 9.88 -0.87 -1.26 -4.82 114.94 127.39 1ul4 s ASN 122 Ca 0.81 -1.21 -0.13 0.00 -1.57 0.00 0.00 52.86 50.77 1ul4 s ASN 122 Cb -0.38 -2.57 0.05 0.00 -0.02 0.00 0.00 41.25 38.33 1ul4 s ASN 122 CO 0.36 -2.78 0.75 -0.62 -2.57 0.00 0.00 177.10 172.23 1ul4 n GLU 123 N 8.59 1.07 0.00 -0.60 1.02 -1.26 -5.09 120.64 124.37 1ul4 n GLU 123 Ca 0.42 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 55.25 1ul4 n GLU 123 Cb 0.47 2.77 0.00 0.00 -0.02 0.00 0.00 31.44 34.66 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 -0.54 0.00 -2.91 3.49 1.74 -1.26 -5.01 116.66 112.17 1ul4 n ARG 124 Ca -0.07 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.57 1ul4 n ARG 124 Cb 0.59 -0.02 -0.03 0.00 -1.02 0.00 0.00 32.46 31.98 1ul4 n ARG 124 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ul4 s ARG 125 N -1.95 3.46 0.06 5.56 3.00 -1.26 -4.46 118.95 123.37 1ul4 s ARG 125 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 55.73 54.22 1ul4 s ARG 125 Cb 0.00 -4.74 0.00 0.00 0.00 0.00 0.00 34.95 30.21 1ul4 s ARG 125 CO 0.00 -1.78 0.00 -2.13 0.00 0.00 0.00 175.30 171.39 1ul4 n ARG 126 N 6.87 0.00 -0.02 3.54 0.63 -1.26 -5.01 116.66 121.40 1ul4 n ARG 126 Ca 0.16 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.06 1ul4 n ARG 126 Cb 0.48 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.36 1ul4 n ARG 126 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1ul4 n LYS 127 N -2.65 1.33 -2.39 -0.14 3.00 -1.26 -5.12 118.16 110.93 1ul4 n LYS 127 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 58.31 58.28 1ul4 n LYS 127 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 35.03 33.89 1ul4 n LYS 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ul4 n SER 128 N -2.46 -1.11 0.00 3.14 2.88 -1.26 -5.03 113.62 109.79 1ul4 n SER 128 Ca -0.08 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1ul4 n SER 128 Cb 0.61 -4.59 0.00 0.00 -0.75 0.00 0.00 64.21 59.48 1ul4 n SER 128 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ul4 n SER 129 N 1.45 0.00 0.00 -3.46 2.88 -1.26 -5.09 113.62 108.13 1ul4 n SER 129 Ca -0.34 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1ul4 n SER 129 Cb 0.52 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1ul4 n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ul4 n GLY 130 N 1.89 1.06 0.00 0.46 0.00 -1.26 -5.30 105.19 102.04 1ul4 n GLY 130 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50