#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 3.28 0.00 3.23 3.00 -1.26 -4.64 118.95 122.56 1ul4 s ARG 52 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 55.73 55.59 1ul4 s ARG 52 Cb 0.00 -4.13 0.14 0.00 0.00 0.00 0.00 34.95 30.96 1ul4 s ARG 52 CO 0.00 -1.88 1.02 1.28 0.00 0.00 0.00 175.30 175.72 1ul4 n LEU 53 N 8.58 0.28 -4.73 2.53 4.77 -1.26 -5.09 117.00 122.09 1ul4 n LEU 53 Ca 0.03 -1.36 -0.40 0.00 -0.03 0.00 0.00 56.01 54.25 1ul4 n LEU 53 Cb 0.48 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1ul4 n LEU 53 CO 0.69 0.43 0.47 0.00 -1.33 0.00 0.00 177.39 177.65 1ul4 h GLN 55 N 6.32 0.00 -7.00 0.00 3.07 -1.44 -3.44 115.11 112.62 1ul4 h GLN 55 Ca -0.42 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 57.79 1ul4 h GLN 55 Cb 1.20 0.00 0.09 0.00 0.08 0.00 0.00 27.48 28.86 1ul4 h GLN 55 CO 0.73 0.37 0.57 0.08 0.09 0.00 0.00 178.83 180.68 1ul4 s VAL 56 N -4.15 2.59 0.45 1.86 1.01 -1.26 -5.02 120.40 115.88 1ul4 s VAL 56 Ca -0.03 0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 1ul4 s VAL 56 Cb 0.14 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1ul4 s VAL 56 CO 0.72 0.03 0.71 -1.81 0.00 0.00 0.00 175.10 174.75 1ul4 s ASP 57 N -0.99 6.13 -1.92 3.32 1.01 -1.26 -4.13 116.67 118.82 1ul4 s ASP 57 Ca 0.63 0.67 0.00 0.00 0.71 0.00 0.00 52.55 54.56 1ul4 s ASP 57 Cb -0.36 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1ul4 s ASP 57 CO 0.44 -0.57 0.00 0.54 0.21 0.00 0.00 175.17 175.79 1ul4 n ARG 58 N -2.14 -1.38 -3.01 8.23 1.74 -1.26 -4.95 116.66 113.89 1ul4 n ARG 58 Ca -0.00 1.11 -0.40 0.00 -0.77 0.00 0.00 57.85 57.78 1ul4 n ARG 58 Cb 0.56 -5.48 -0.05 0.00 -1.02 0.00 0.00 32.46 26.47 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 4.09 0.00 -2.91 0.00 -2.24 -1.26 -5.08 114.28 106.88 1ul4 n THR 60 Ca 0.00 -0.92 -0.26 0.00 -2.27 0.00 0.00 64.05 60.60 1ul4 n THR 60 Cb 0.51 0.96 -0.00 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.00 3.51 -0.14 6.98 0.00 -1.26 -5.01 121.76 125.84 1ul4 s ALA 61 Ca 0.31 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 1ul4 s ALA 61 Cb 0.36 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 1ul4 s ALA 61 CO -0.16 -0.24 1.85 0.34 0.00 0.00 0.00 175.76 177.56 1ul4 s ASP 62 N -4.08 6.20 -0.17 0.00 2.15 -1.26 -4.85 116.67 114.66 1ul4 s ASP 62 Ca 0.45 2.00 0.15 0.00 0.43 0.00 0.00 52.55 55.58 1ul4 s ASP 62 Cb -0.10 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.43 1ul4 s ASP 62 CO 0.42 -1.35 1.19 0.80 -0.17 0.00 0.00 175.17 176.07 1ul4 n MET 63 N 7.85 1.43 -0.05 4.34 1.56 -1.26 -4.79 117.12 126.20 1ul4 n MET 63 Ca 0.21 -3.08 -0.20 0.00 -0.27 0.00 0.00 57.70 54.37 1ul4 n MET 63 Cb 0.44 -1.26 -0.13 0.00 2.15 0.00 0.00 33.22 34.42 1ul4 n MET 63 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1ul4 h LYS 64 N 1.27 0.10 -2.20 2.12 3.64 -1.89 -3.37 116.57 116.24 1ul4 h LYS 64 Ca -0.02 -0.18 -0.77 0.00 -1.27 0.00 0.00 60.65 58.41 1ul4 h LYS 64 Cb 1.34 0.07 -0.25 0.00 -0.41 0.00 0.00 32.23 32.98 1ul4 h LYS 64 CO 0.14 1.09 1.17 0.39 -2.27 0.00 0.00 179.45 179.96 1ul4 n GLU 65 N -4.27 4.35 -2.23 1.90 4.71 -1.26 -4.91 120.64 118.93 1ul4 n GLU 65 Ca -0.23 -4.02 -0.32 0.00 -0.01 0.00 0.00 57.16 52.58 1ul4 n GLU 65 Cb 0.72 -2.41 -0.02 0.00 -1.01 0.00 0.00 31.44 28.72 1ul4 n GLU 65 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ul4 s ALA 66 N -3.70 3.08 0.61 0.62 0.00 -1.26 -5.08 121.76 116.03 1ul4 s ALA 66 Ca 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 1ul4 s ALA 66 Cb 0.28 -3.11 0.08 0.00 0.00 0.00 0.00 23.12 20.37 1ul4 s ALA 66 CO -0.22 -0.38 0.54 1.17 0.00 0.00 0.00 175.76 176.87 1ul4 n LYS 67 N -1.94 0.15 0.22 0.00 4.81 -1.26 -4.94 118.16 115.20 1ul4 n LYS 67 Ca 0.06 -1.38 0.08 0.00 -0.87 0.00 0.00 58.31 56.20 1ul4 n LYS 67 Cb 0.54 -0.38 0.50 0.00 0.02 0.00 0.00 35.03 35.71 1ul4 n LYS 67 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1ul4 h LEU 68 N 0.00 0.00 -0.00 3.14 5.85 -2.01 -2.70 115.31 119.59 1ul4 h LEU 68 Ca -0.18 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.34 1ul4 h LEU 68 Cb 0.63 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1ul4 h LEU 68 CO 0.18 0.26 -0.95 0.22 -0.34 0.00 0.00 178.44 177.81 1ul4 h TYR 69 N 0.00 0.00 -0.93 1.25 3.20 -1.97 -3.26 116.97 115.25 1ul4 h TYR 69 Ca -0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 1ul4 h TYR 69 Cb 0.61 0.00 -0.28 0.00 1.54 0.00 0.00 36.73 38.60 1ul4 h TYR 69 CO 0.00 0.95 0.69 0.72 -1.64 0.00 0.00 178.16 178.88 1ul4 n HIS 70 N -3.34 2.92 0.00 -3.82 8.25 -1.03 -4.11 115.22 114.10 1ul4 n HIS 70 Ca 0.00 -2.18 0.00 0.00 -0.26 0.00 0.00 57.72 55.28 1ul4 n HIS 70 Cb 0.92 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 -0.93 0.00 0.23 -0.41 1.74 -1.17 -4.37 116.66 111.75 1ul4 n ARG 71 Ca 0.57 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.80 1ul4 n ARG 71 Cb 1.25 0.00 0.81 0.00 -1.02 0.00 0.00 32.46 33.51 1ul4 n ARG 71 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1ul4 h ARG 72 N 0.00 0.00 0.00 5.56 0.11 -1.81 0.10 114.38 118.34 1ul4 h ARG 72 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1ul4 h ARG 72 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1ul4 h ARG 72 CO 0.00 0.00 -0.18 0.45 0.10 0.00 0.00 179.97 180.34 1ul4 h HIS 73 N 0.00 0.00 -5.26 4.08 3.86 -1.86 -3.47 115.15 112.50 1ul4 h HIS 73 Ca 0.06 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.94 1ul4 h HIS 73 Cb 0.29 0.00 0.14 0.00 1.06 0.00 0.00 27.41 28.90 1ul4 h HIS 73 CO 0.00 0.18 -0.64 1.63 0.86 0.00 0.00 177.93 179.96 1ul4 n LYS 74 N -3.19 -6.48 -3.80 2.45 5.02 0.35 -4.86 118.16 107.66 1ul4 n LYS 74 Ca 0.02 0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 56.93 1ul4 n LYS 74 Cb 0.54 -5.49 -0.12 0.00 -0.02 0.00 0.00 35.03 29.95 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 -3.30 0.01 0.66 -0.18 0.11 -1.26 -1.10 120.40 115.34 1ul4 s VAL 75 Ca 0.27 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1ul4 s VAL 75 Cb -0.12 -0.34 0.08 0.00 -1.53 0.00 0.00 36.38 34.47 1ul4 s VAL 75 CO 0.65 -0.03 0.93 0.00 -3.33 0.00 0.00 175.10 173.31 1ul4 h GLU 77 N -0.35 0.00 0.00 0.00 4.81 -1.96 0.90 114.58 117.98 1ul4 h GLU 77 Ca -0.40 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 1ul4 h GLU 77 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1ul4 h GLU 77 CO 0.47 0.41 -0.36 0.28 -0.73 0.00 0.00 179.01 179.08 1ul4 h VAL 78 N 0.00 1.23 0.00 0.32 2.07 -1.94 -2.39 116.25 115.54 1ul4 h VAL 78 Ca -0.00 -1.26 -0.29 0.00 0.82 0.00 0.00 66.70 65.97 1ul4 h VAL 78 Cb 0.74 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1ul4 h VAL 78 CO 0.05 0.36 -2.07 1.41 0.02 0.00 0.00 177.57 177.33 1ul4 n HIS 79 N -4.06 0.00 0.18 1.57 8.25 -1.05 -3.84 115.22 116.26 1ul4 n HIS 79 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1ul4 n HIS 79 Cb 0.40 -0.77 0.40 0.00 1.12 0.00 0.00 29.99 31.14 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 0.75 1.49 -0.33 -1.41 0.00 0.81 -2.91 119.26 117.67 1ul4 h ALA 80 Ca -0.43 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.00 1ul4 h ALA 80 Cb 1.96 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 19.53 1ul4 h ALA 80 CO 0.02 0.37 -0.49 1.17 0.00 0.00 0.00 179.25 180.33 1ul4 n LYS 81 N -4.20 2.30 -3.32 0.00 0.00 -0.90 -4.86 118.16 107.17 1ul4 n LYS 81 Ca -0.02 -3.56 -0.34 0.00 0.00 0.00 0.00 58.31 54.39 1ul4 n LYS 81 Cb 0.33 -1.88 -0.06 0.00 0.00 0.00 0.00 35.03 33.42 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ul4 s ALA 82 N -3.38 3.52 -0.04 3.14 0.00 -1.10 -4.99 121.76 118.93 1ul4 s ALA 82 Ca 0.44 -0.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 1ul4 s ALA 82 Cb 0.39 -2.56 -0.20 0.00 0.00 0.00 0.00 23.12 20.76 1ul4 s ALA 82 CO -0.02 0.44 1.12 1.03 0.00 0.00 0.00 175.76 178.34 1ul4 h SER 83 N 3.06 -0.07 -1.43 0.00 0.87 -1.90 -3.38 113.55 110.69 1ul4 h SER 83 Ca -0.48 -0.49 0.07 0.00 -1.23 0.00 0.00 61.79 59.66 1ul4 h SER 83 Cb 1.18 0.02 -0.21 0.00 -0.44 0.00 0.00 62.40 62.95 1ul4 h SER 83 CO 0.67 0.48 -0.24 -0.94 -0.53 0.00 0.00 176.83 176.27 1ul4 s SER 84 N -5.65 -1.18 0.23 6.23 1.04 -1.26 -4.56 113.70 108.54 1ul4 s SER 84 Ca -0.15 1.08 0.02 0.00 0.48 0.00 0.00 55.95 57.38 1ul4 s SER 84 Cb 0.01 2.13 -0.04 0.00 0.10 0.00 0.00 66.02 68.23 1ul4 s SER 84 CO 0.62 -0.25 0.39 -0.69 0.98 0.00 0.00 173.24 174.29 1ul4 s VAL 85 N 2.85 5.23 -0.68 5.02 1.01 -0.74 -4.84 120.40 128.25 1ul4 s VAL 85 Ca 0.11 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 1ul4 s VAL 85 Cb -0.14 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.59 1ul4 s VAL 85 CO -0.20 -0.27 0.71 0.12 0.00 0.00 0.00 175.10 175.47 1ul4 s PHE 86 N -1.95 3.28 -0.14 5.22 5.36 -1.26 -0.36 117.98 128.14 1ul4 s PHE 86 Ca 0.37 -1.37 0.00 0.00 -0.96 0.00 0.00 56.93 54.96 1ul4 s PHE 86 Cb -0.10 -3.93 -0.01 0.00 -0.34 0.00 0.00 43.02 38.63 1ul4 s PHE 86 CO 0.30 -1.16 -0.14 -1.17 -1.46 0.00 0.00 175.22 171.59 1ul4 s LEU 87 N 1.72 2.63 -1.60 6.12 2.96 0.55 -4.59 118.68 126.47 1ul4 s LEU 87 Ca 0.13 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1ul4 s LEU 87 Cb -0.20 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1ul4 s LEU 87 CO -0.00 0.14 0.28 -0.24 -1.32 0.00 0.00 176.35 175.21 1ul4 n SER 88 N 3.70 -5.81 -1.41 3.68 2.88 -1.26 -1.67 113.62 113.73 1ul4 n SER 88 Ca -0.18 -0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.09 1ul4 n SER 88 Cb 0.52 -4.74 -0.01 0.00 -0.75 0.00 0.00 64.21 59.24 1ul4 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ul4 n GLY 89 N -1.25 -0.13 3.22 0.46 0.00 -1.26 -5.01 105.19 101.23 1ul4 n GLY 89 Ca -0.17 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.57 1.21 -0.11 0.99 1.43 -0.67 -5.14 118.68 112.82 1ul4 s LEU 90 Ca 0.00 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 1ul4 s LEU 90 Cb 0.00 1.17 -0.01 0.00 0.03 0.00 0.00 46.19 47.38 1ul4 s LEU 90 CO 0.00 -0.70 1.01 0.20 0.23 0.00 0.00 176.35 177.08 1ul4 s ASN 91 N -2.62 7.23 -0.05 2.29 -0.87 -1.26 -0.33 114.94 119.32 1ul4 s ASN 91 Ca 0.02 1.51 -0.02 0.00 -1.57 0.00 0.00 52.86 52.80 1ul4 s ASN 91 Cb 0.03 -2.55 0.03 0.00 -0.02 0.00 0.00 41.25 38.74 1ul4 s ASN 91 CO -0.09 -0.46 0.07 -1.10 -2.57 0.00 0.00 177.10 172.95 1ul4 s GLN 92 N 2.09 -0.06 0.43 -0.60 -0.21 0.52 -1.89 119.66 119.94 1ul4 s GLN 92 Ca 0.48 0.38 -0.03 0.00 0.02 0.00 0.00 55.36 56.20 1ul4 s GLN 92 Cb -0.18 -0.55 -0.04 0.00 1.00 0.00 0.00 33.01 33.24 1ul4 s GLN 92 CO 0.17 -0.35 0.70 -0.98 -2.12 0.00 0.00 175.29 172.71 1ul4 s ARG 93 N 2.18 3.52 -0.38 2.91 1.70 -0.53 -1.80 118.95 126.56 1ul4 s ARG 93 Ca 0.05 0.01 -0.29 0.00 -0.47 0.00 0.00 55.73 55.02 1ul4 s ARG 93 Cb -0.12 -2.48 0.02 0.00 -0.57 0.00 0.00 34.95 31.80 1ul4 s ARG 93 CO -0.04 -0.08 1.16 0.12 -1.08 0.00 0.00 175.30 175.38 1ul4 s PHE 94 N -2.59 2.91 -0.55 5.89 5.36 -1.26 -2.50 117.98 125.24 1ul4 s PHE 94 Ca 0.45 0.93 -0.26 0.00 -0.96 0.00 0.00 56.93 57.10 1ul4 s PHE 94 Cb -0.10 -4.04 0.04 0.00 -0.34 0.00 0.00 43.02 38.57 1ul4 s PHE 94 CO 0.42 -1.18 1.02 0.00 -1.46 0.00 0.00 175.22 174.02 1ul4 h GLN 96 N 9.37 0.00 -0.13 0.00 7.50 -1.90 1.09 115.11 131.04 1ul4 h GLN 96 Ca -0.26 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 58.70 1ul4 h GLN 96 Cb 1.07 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.60 1ul4 h GLN 96 CO 1.12 0.00 -0.70 1.96 -1.50 0.00 0.00 178.83 179.70 1ul4 h GLN 97 N 0.00 0.57 0.00 1.46 4.20 -1.95 -3.34 115.11 116.06 1ul4 h GLN 97 Ca 0.00 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1ul4 h GLN 97 Cb 0.30 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1ul4 h GLN 97 CO 0.00 1.06 0.00 0.00 -0.67 0.00 0.00 178.83 179.22 1ul4 n SER 99 N -0.07 -1.68 -2.05 0.00 2.88 0.38 -4.95 113.62 108.13 1ul4 n SER 99 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ul4 n SER 99 Cb 0.03 -2.06 0.00 0.00 -0.75 0.00 0.00 64.21 61.43 1ul4 n SER 99 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ul4 n ARG 100 N -1.39 0.81 -4.01 -1.46 1.74 -1.18 -4.81 116.66 106.35 1ul4 n ARG 100 Ca 0.00 -0.05 -0.34 0.00 -0.77 0.00 0.00 57.85 56.68 1ul4 n ARG 100 Cb 0.12 -0.01 -0.15 0.00 -1.02 0.00 0.00 32.46 31.40 1ul4 n ARG 100 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ul4 s PHE 101 N 0.57 2.88 0.25 -1.55 0.08 -1.26 -1.13 117.98 117.81 1ul4 s PHE 101 Ca 0.01 -1.28 0.11 0.00 0.12 0.00 0.00 56.93 55.90 1ul4 s PHE 101 Cb -0.00 -2.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 1ul4 s PHE 101 CO 0.01 -0.67 -0.17 -1.01 -0.10 0.00 0.00 175.22 173.28 1ul4 s HIS 102 N 1.39 2.39 0.96 0.36 3.76 -1.04 -4.96 115.29 118.15 1ul4 s HIS 102 Ca 0.05 -0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 1ul4 s HIS 102 Cb -0.14 -1.09 0.13 0.00 1.11 0.00 0.00 32.58 32.59 1ul4 s HIS 102 CO -0.08 0.63 0.87 -3.47 -0.85 0.00 0.00 174.74 171.85 1ul4 n ASP 103 N -0.39 -0.68 0.14 1.40 -0.08 -1.26 -1.45 116.55 114.22 1ul4 n ASP 103 Ca -0.08 0.32 -0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1ul4 n ASP 103 Cb 0.58 -1.36 0.15 0.00 2.34 0.00 0.00 41.12 42.83 1ul4 n ASP 103 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1ul4 h LEU 104 N -1.88 0.00 -1.98 -2.67 5.85 -1.75 -2.98 115.31 109.89 1ul4 h LEU 104 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1ul4 h LEU 104 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1ul4 h LEU 104 CO 0.40 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 179.11 1ul4 n GLN 105 N -3.60 2.60 -1.00 1.25 3.00 -1.26 -4.00 117.38 114.37 1ul4 n GLN 105 Ca -0.00 -1.53 -0.12 0.00 -0.01 0.00 0.00 57.00 55.34 1ul4 n GLN 105 Cb 0.66 -1.68 0.18 0.00 0.00 0.00 0.00 30.24 29.40 1ul4 n GLN 105 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1ul4 n GLU 106 N 0.43 2.06 -4.06 -1.09 1.02 -1.13 -4.98 120.64 112.89 1ul4 n GLU 106 Ca 0.14 -3.22 -0.07 0.00 -0.02 0.00 0.00 57.16 53.99 1ul4 n GLU 106 Cb 0.59 -1.95 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 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 -3.32 0.46 0.49 -0.32 0.08 -1.26 -4.77 117.98 109.34 1ul4 s PHE 107 Ca 0.49 -0.97 -0.17 0.00 0.12 0.00 0.00 56.93 56.40 1ul4 s PHE 107 Cb 0.43 -0.34 -0.08 0.00 -0.57 0.00 0.00 43.02 42.46 1ul4 s PHE 107 CO 0.02 -0.38 0.96 -0.51 -0.10 0.00 0.00 175.22 175.21 1ul4 s ASP 108 N -2.78 6.67 0.32 1.36 1.01 -0.95 -4.97 116.67 117.32 1ul4 s ASP 108 Ca 0.05 1.55 0.04 0.00 0.71 0.00 0.00 52.55 54.90 1ul4 s ASP 108 Cb 0.06 -2.50 0.53 0.00 1.01 0.00 0.00 42.92 42.03 1ul4 s ASP 108 CO -0.09 -0.53 1.82 -0.33 0.21 0.00 0.00 175.17 176.25 1ul4 h GLU 109 N 1.11 0.52 0.06 8.23 4.39 -1.99 -3.24 114.58 123.65 1ul4 h GLU 109 Ca -0.47 -0.14 -0.28 0.00 0.34 0.00 0.00 59.36 58.81 1ul4 h GLU 109 Cb 1.18 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1ul4 h GLU 109 CO 0.62 0.61 -1.51 0.00 -1.16 0.00 0.00 179.01 177.57 1ul4 h ALA 110 N 1.43 0.30 -3.03 3.43 0.00 -2.02 -3.46 119.26 115.91 1ul4 h ALA 110 Ca 0.09 -1.24 -0.59 0.00 0.00 0.00 0.00 54.91 53.17 1ul4 h ALA 110 Cb 0.44 0.68 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 1ul4 h ALA 110 CO 0.02 0.91 -0.30 0.15 0.00 0.00 0.00 179.25 180.03 1ul4 s LYS 111 N -2.44 4.23 -0.49 0.00 1.02 -1.22 -4.97 119.74 115.86 1ul4 s LYS 111 Ca -0.25 0.11 0.02 0.00 0.02 0.00 0.00 55.97 55.86 1ul4 s LYS 111 Cb 0.06 -3.46 0.54 0.00 -0.52 0.00 0.00 37.83 34.44 1ul4 s LYS 111 CO 0.68 0.15 1.92 0.54 -0.92 0.00 0.00 175.35 177.72 1ul4 n ARG 112 N 3.86 2.30 -4.36 1.68 3.00 -1.26 -2.24 116.66 119.64 1ul4 n ARG 112 Ca -0.11 -2.86 -0.18 0.00 -0.01 0.00 0.00 57.85 54.69 1ul4 n ARG 112 Cb 0.52 -2.12 -0.10 0.00 0.00 0.00 0.00 32.46 30.75 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 -1.27 1.76 1.26 0.55 0.01 -1.26 -4.88 113.70 109.86 1ul4 s SER 113 Ca 0.55 -1.34 -0.19 0.00 1.31 0.00 0.00 55.95 56.29 1ul4 s SER 113 Cb 0.45 0.04 0.28 0.00 0.21 0.00 0.00 66.02 67.00 1ul4 s SER 113 CO 0.06 -0.63 0.64 0.00 0.41 0.00 0.00 173.24 173.72 1ul4 n ARG 115 N -4.11 0.87 -0.00 0.00 0.63 -1.26 -4.41 116.66 108.37 1ul4 n ARG 115 Ca 0.07 -1.53 -0.16 0.00 -0.92 0.00 0.00 57.85 55.31 1ul4 n ARG 115 Cb 0.53 -0.91 -0.14 0.00 0.45 0.00 0.00 32.46 32.39 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 -0.56 0.71 -0.05 -0.14 0.63 -1.26 -3.93 116.66 112.06 1ul4 n ARG 116 Ca 0.05 0.28 -0.05 0.00 -0.92 0.00 0.00 57.85 57.21 1ul4 n ARG 116 Cb 0.58 -1.75 -0.07 0.00 0.45 0.00 0.00 32.46 31.68 1ul4 n ARG 116 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ul4 n ARG 117 N -3.31 2.06 -0.16 -0.14 1.74 -1.26 -3.80 116.66 111.78 1ul4 n ARG 117 Ca -0.26 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.74 1ul4 n ARG 117 Cb 1.05 -1.24 -0.00 0.00 -1.02 0.00 0.00 32.46 31.25 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 0.68 0.12 0.55 5.85 -1.80 -3.25 115.31 117.45 1ul4 h LEU 118 Ca -0.26 -0.22 -0.22 0.00 0.84 0.00 0.00 57.88 58.02 1ul4 h LEU 118 Cb 1.55 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.41 1ul4 h LEU 118 CO 0.00 0.72 -1.05 0.00 -0.34 0.00 0.00 178.44 177.78 1ul4 h ALA 119 N 0.98 0.04 -4.63 1.25 0.00 -1.82 -3.51 119.26 111.57 1ul4 h ALA 119 Ca 0.14 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1ul4 h ALA 119 Cb 0.30 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ul4 h ALA 119 CO -0.00 0.56 -0.96 0.41 0.00 0.00 0.00 179.25 179.26 1ul4 n GLY 120 N 1.69 -5.77 3.41 0.00 0.00 -1.23 -4.88 105.19 98.41 1ul4 n GLY 120 Ca -0.19 0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1ul4 n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ul4 s HIS 121 N -0.58 2.95 -1.06 1.61 3.76 -1.26 -4.99 115.29 115.71 1ul4 s HIS 121 Ca 0.00 -0.74 -0.22 0.00 -0.15 0.00 0.00 55.06 53.96 1ul4 s HIS 121 Cb 0.00 -3.92 0.06 0.00 1.11 0.00 0.00 32.58 29.83 1ul4 s HIS 121 CO 0.00 -1.28 1.48 0.54 -0.85 0.00 0.00 174.74 174.63 1ul4 s ASN 122 N 3.34 6.58 -0.12 1.40 4.22 -1.26 -4.97 114.94 124.12 1ul4 s ASN 122 Ca 0.15 -1.69 -0.29 0.00 -2.14 0.00 0.00 52.86 48.89 1ul4 s ASN 122 Cb -0.21 -2.56 -0.02 0.00 1.28 0.00 0.00 41.25 39.74 1ul4 s ASN 122 CO 0.09 -1.41 1.28 -0.70 -2.04 0.00 0.00 177.10 174.32 1ul4 s GLU 123 N 4.64 4.26 0.16 3.55 -6.30 -1.26 -4.99 118.70 118.76 1ul4 s GLU 123 Ca 0.46 1.71 -0.23 0.00 -2.50 0.00 0.00 54.97 54.41 1ul4 s GLU 123 Cb 0.00 -3.72 0.07 0.00 0.00 0.00 0.00 34.13 30.48 1ul4 s GLU 123 CO -0.07 -0.65 0.66 -0.98 0.02 0.00 0.00 175.26 174.24 1ul4 s ARG 124 N 3.16 1.29 -0.17 4.30 1.70 -1.26 -5.16 118.95 122.81 1ul4 s ARG 124 Ca 0.57 -0.52 -0.04 0.00 -0.47 0.00 0.00 55.73 55.26 1ul4 s ARG 124 Cb -0.24 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 1ul4 s ARG 124 CO 0.18 -0.57 -0.02 1.03 -1.08 0.00 0.00 175.30 174.84 1ul4 s ARG 125 N -3.69 3.69 -0.24 3.89 1.81 -1.26 -5.09 118.95 118.06 1ul4 s ARG 125 Ca 0.03 -0.50 -0.11 0.00 -1.72 0.00 0.00 55.73 53.42 1ul4 s ARG 125 Cb -0.02 -2.99 -0.05 0.00 -0.45 0.00 0.00 34.95 31.44 1ul4 s ARG 125 CO -0.10 0.18 0.20 0.50 -0.68 0.00 0.00 175.30 175.41 1ul4 s ARG 126 N 0.54 4.07 0.29 3.54 6.06 -1.26 -5.09 118.95 127.11 1ul4 s ARG 126 Ca -0.02 -0.19 -0.05 0.00 -2.50 0.00 0.00 55.73 52.97 1ul4 s ARG 126 Cb -0.14 -3.55 -0.05 0.00 0.06 0.00 0.00 34.95 31.26 1ul4 s ARG 126 CO 0.02 0.01 0.56 0.21 -2.50 0.00 0.00 175.30 173.60 1ul4 s LYS 127 N 1.20 3.62 -0.22 5.12 2.20 -1.26 -5.09 119.74 125.31 1ul4 s LYS 127 Ca 0.09 -0.01 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1ul4 s LYS 127 Cb -0.14 -2.64 0.06 0.00 -1.51 0.00 0.00 37.83 33.60 1ul4 s LYS 127 CO 0.06 0.20 0.01 -1.12 -0.36 0.00 0.00 175.35 174.14 1ul4 s SER 128 N -3.22 3.36 0.37 1.43 0.01 -1.26 -5.09 113.70 109.31 1ul4 s SER 128 Ca 0.44 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1ul4 s SER 128 Cb -0.11 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.30 1ul4 s SER 128 CO 0.30 -0.30 0.00 -1.20 0.41 0.00 0.00 173.24 172.46 1ul4 n SER 129 N 4.89 -8.51 0.00 2.44 7.64 -1.26 -5.01 113.62 113.82 1ul4 n SER 129 Ca -0.09 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1ul4 n SER 129 Cb 0.45 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 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 -4.23 0.78 0.00 0.23 0.00 -1.26 -5.28 105.19 95.43 1ul4 n GLY 130 Ca -0.00 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.51 1ul4 n GLY 130 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11