#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 3.69 -0.02 3.23 0.52 -1.26 -4.22 118.95 120.89 1ul4 s ARG 52 Ca 0.00 -1.85 0.08 0.00 -0.52 0.00 0.00 55.73 53.44 1ul4 s ARG 52 Cb 0.00 -5.00 0.15 0.00 0.52 0.00 0.00 34.95 30.62 1ul4 s ARG 52 CO 0.00 -1.82 1.06 1.28 0.02 0.00 0.00 175.30 175.84 1ul4 n LEU 53 N 6.65 0.51 -4.75 2.53 4.77 -1.26 -5.08 117.00 120.37 1ul4 n LEU 53 Ca 0.28 -1.50 -0.39 0.00 -0.03 0.00 0.00 56.01 54.37 1ul4 n LEU 53 Cb 0.48 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1ul4 n LEU 53 CO 0.54 0.38 0.40 0.00 -1.33 0.00 0.00 177.39 177.39 1ul4 h GLN 55 N 5.75 0.05 -6.97 0.00 3.07 0.38 -3.43 115.11 113.95 1ul4 h GLN 55 Ca -0.44 -0.01 -0.51 0.00 0.09 0.00 0.00 58.65 57.77 1ul4 h GLN 55 Cb 1.20 -0.01 0.06 0.00 0.08 0.00 0.00 27.48 28.82 1ul4 h GLN 55 CO 0.71 0.31 0.51 0.08 0.09 0.00 0.00 178.83 180.53 1ul4 s VAL 56 N -4.45 3.05 0.43 1.86 1.01 -1.26 -5.03 120.40 116.01 1ul4 s VAL 56 Ca -0.04 0.85 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 1ul4 s VAL 56 Cb 0.15 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1ul4 s VAL 56 CO 0.72 0.04 0.70 -1.81 0.00 0.00 0.00 175.10 174.75 1ul4 s ASP 57 N -1.19 6.28 -1.86 3.32 1.01 -1.26 -4.14 116.67 118.83 1ul4 s ASP 57 Ca 0.60 0.75 0.00 0.00 0.71 0.00 0.00 52.55 54.61 1ul4 s ASP 57 Cb -0.31 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1ul4 s ASP 57 CO 0.38 -0.47 0.00 0.54 0.21 0.00 0.00 175.17 175.83 1ul4 n ARG 58 N -2.06 -1.45 -2.62 8.23 3.00 -1.26 -4.92 116.66 115.58 1ul4 n ARG 58 Ca -0.01 1.06 -0.42 0.00 -0.01 0.00 0.00 57.85 58.47 1ul4 n ARG 58 Cb 0.55 -5.52 -0.03 0.00 0.00 0.00 0.00 32.46 27.47 1ul4 n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ul4 n THR 60 N 6.36 2.91 -2.94 0.00 -2.24 -1.26 -4.96 114.28 112.14 1ul4 n THR 60 Ca 0.03 -1.64 -0.26 0.00 -2.27 0.00 0.00 64.05 59.91 1ul4 n THR 60 Cb 0.48 -0.45 -0.01 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 s ALA 61 N -2.93 3.52 -0.30 6.98 0.00 -1.26 -5.07 121.76 122.70 1ul4 s ALA 61 Ca 0.52 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 1ul4 s ALA 61 Cb 0.43 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1ul4 s ALA 61 CO 0.11 -0.20 0.24 0.34 0.00 0.00 0.00 175.76 176.26 1ul4 s ASP 62 N -4.03 6.08 -0.24 0.00 -1.08 -1.26 -4.87 116.67 111.27 1ul4 s ASP 62 Ca 0.45 -0.08 0.10 0.00 -0.52 0.00 0.00 52.55 52.49 1ul4 s ASP 62 Cb -0.10 -2.14 0.44 0.00 -1.46 0.00 0.00 42.92 39.66 1ul4 s ASP 62 CO 0.41 -0.14 1.28 0.23 0.52 0.00 0.00 175.17 177.47 1ul4 n MET 63 N 5.14 1.84 0.14 4.34 2.81 -1.26 -4.71 117.12 125.41 1ul4 n MET 63 Ca -0.12 -3.37 0.01 0.00 -1.81 0.00 0.00 57.70 52.40 1ul4 n MET 63 Cb 0.51 -1.73 0.32 0.00 -0.71 0.00 0.00 33.22 31.61 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 1.12 0.15 -2.19 0.03 1.63 -1.92 -3.08 116.57 112.31 1ul4 h LYS 64 Ca 0.09 -0.05 -0.59 0.00 -0.85 0.00 0.00 60.65 59.24 1ul4 h LYS 64 Cb 1.19 -0.01 -0.42 0.00 -0.60 0.00 0.00 32.23 32.39 1ul4 h LYS 64 CO 0.17 0.46 -0.65 0.39 -3.45 0.00 0.00 179.45 176.37 1ul4 n GLU 65 N -4.12 2.47 -2.07 1.90 1.02 -1.26 -4.77 120.64 113.81 1ul4 n GLU 65 Ca -0.01 -4.57 -0.12 0.00 -0.02 0.00 0.00 57.16 52.44 1ul4 n GLU 65 Cb 0.39 -2.16 0.05 0.00 -0.02 0.00 0.00 31.44 29.70 1ul4 n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ul4 n ALA 66 N 0.71 0.56 -3.94 0.62 0.00 -1.24 -5.14 120.51 112.08 1ul4 n ALA 66 Ca 0.29 -1.24 -0.29 0.00 0.00 0.00 0.00 53.44 52.20 1ul4 n ALA 66 Cb 0.42 0.30 -0.00 0.00 0.00 0.00 0.00 19.45 20.17 1ul4 n ALA 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ul4 n LYS 67 N -1.87 0.67 0.26 0.00 4.81 -1.26 -5.00 118.16 115.77 1ul4 n LYS 67 Ca 0.10 -3.52 0.16 0.00 -0.87 0.00 0.00 58.31 54.19 1ul4 n LYS 67 Cb 0.36 0.41 0.59 0.00 0.02 0.00 0.00 35.03 36.41 1ul4 n LYS 67 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1ul4 h LEU 68 N 0.00 0.00 0.00 3.14 3.38 -2.01 -2.25 115.31 117.58 1ul4 h LEU 68 Ca -0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1ul4 h LEU 68 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1ul4 h LEU 68 CO 0.56 0.00 -0.00 0.22 0.09 0.00 0.00 178.44 179.31 1ul4 h TYR 69 N 0.00 -0.00 0.00 1.13 3.20 -1.99 -3.12 116.97 116.19 1ul4 h TYR 69 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1ul4 h TYR 69 Cb 0.59 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1ul4 h TYR 69 CO 0.00 0.52 -0.15 0.45 -1.64 0.00 0.00 178.16 177.34 1ul4 h HIS 70 N -1.00 0.00 -0.19 -3.82 3.86 -1.79 -1.09 115.15 111.12 1ul4 h HIS 70 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ul4 h HIS 70 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1ul4 h HIS 70 CO 0.15 0.15 0.00 0.54 0.86 0.00 0.00 177.93 179.63 1ul4 n ARG 71 N -4.03 1.59 -0.07 2.45 1.74 -0.85 -2.50 116.66 115.00 1ul4 n ARG 71 Ca -0.02 -0.91 -0.08 0.00 -0.77 0.00 0.00 57.85 56.08 1ul4 n ARG 71 Cb 0.24 -1.30 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 1ul4 n ARG 71 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ul4 n ARG 72 N 0.17 1.53 -0.33 5.56 0.63 -0.42 -4.48 116.66 119.31 1ul4 n ARG 72 Ca 0.13 0.02 0.11 0.00 -0.92 0.00 0.00 57.85 57.19 1ul4 n ARG 72 Cb 0.25 -1.34 0.30 0.00 0.45 0.00 0.00 32.46 32.12 1ul4 n ARG 72 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1ul4 n HIS 73 N -2.60 0.86 -3.12 -0.14 8.25 -1.14 -4.94 115.22 112.39 1ul4 n HIS 73 Ca -0.23 -0.43 -0.22 0.00 -0.26 0.00 0.00 57.72 56.57 1ul4 n HIS 73 Cb 0.91 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.04 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 1.54 -4.20 -4.01 -0.41 4.01 -1.21 -4.81 118.16 109.07 1ul4 n LYS 74 Ca 0.23 0.74 -0.11 0.00 -0.51 0.00 0.00 58.31 58.66 1ul4 n LYS 74 Cb 0.59 -5.53 -0.11 0.00 -0.51 0.00 0.00 35.03 29.47 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 -3.06 0.26 0.58 -0.18 0.11 -1.04 0.10 120.40 117.18 1ul4 s VAL 75 Ca 0.33 -0.88 0.04 0.00 -2.93 0.00 0.00 61.98 58.53 1ul4 s VAL 75 Cb -0.16 -0.37 0.07 0.00 -1.53 0.00 0.00 36.38 34.40 1ul4 s VAL 75 CO 0.40 -0.40 0.81 0.00 -3.33 0.00 0.00 175.10 172.58 1ul4 h GLU 77 N 0.01 0.00 0.00 0.00 4.81 -1.96 0.88 114.58 118.32 1ul4 h GLU 77 Ca -0.37 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 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 0.45 0.43 -0.33 0.28 -0.73 0.00 0.00 179.01 179.11 1ul4 h VAL 78 N 0.00 1.09 0.00 0.32 2.07 -1.94 -2.32 116.25 115.47 1ul4 h VAL 78 Ca -0.00 -1.17 -0.26 0.00 0.82 0.00 0.00 66.70 66.08 1ul4 h VAL 78 Cb 0.79 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1ul4 h VAL 78 CO 0.06 0.32 -1.98 1.41 0.02 0.00 0.00 177.57 177.39 1ul4 n HIS 79 N -3.94 0.00 -0.05 1.57 8.25 -1.06 -3.93 115.22 116.06 1ul4 n HIS 79 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1ul4 n HIS 79 Cb 0.39 -0.71 0.20 0.00 1.12 0.00 0.00 29.99 31.00 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 0.68 1.17 -0.47 -1.41 0.00 0.77 -2.90 119.26 117.10 1ul4 h ALA 80 Ca -0.39 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 53.99 1ul4 h ALA 80 Cb 1.87 -0.17 -0.16 0.00 0.00 0.00 0.00 17.79 19.34 1ul4 h ALA 80 CO 0.02 0.54 -0.05 1.17 0.00 0.00 0.00 179.25 180.93 1ul4 n LYS 81 N -4.21 2.06 -2.45 0.00 4.81 -0.88 -4.83 118.16 112.66 1ul4 n LYS 81 Ca 0.02 -3.28 -0.23 0.00 -0.87 0.00 0.00 58.31 53.94 1ul4 n LYS 81 Cb 0.31 -1.91 0.06 0.00 0.02 0.00 0.00 35.03 33.51 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 -3.33 3.57 -0.11 3.14 0.00 -1.10 -4.99 121.76 118.94 1ul4 s ALA 82 Ca 0.47 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 51.31 1ul4 s ALA 82 Cb 0.42 -2.29 -0.13 0.00 0.00 0.00 0.00 23.12 21.13 1ul4 s ALA 82 CO 0.01 -1.05 0.01 -1.13 0.00 0.00 0.00 175.76 173.60 1ul4 n SER 83 N -2.63 2.40 -3.72 0.00 3.41 -1.26 -4.68 113.62 107.14 1ul4 n SER 83 Ca 0.09 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 1ul4 n SER 83 Cb 0.60 0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 65.05 1ul4 n SER 83 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ul4 s SER 84 N -4.51 -0.45 0.05 4.04 1.04 -1.26 -4.77 113.70 107.83 1ul4 s SER 84 Ca -0.08 0.83 -0.03 0.00 0.48 0.00 0.00 55.95 57.15 1ul4 s SER 84 Cb 0.04 0.79 -0.02 0.00 0.10 0.00 0.00 66.02 66.92 1ul4 s SER 84 CO 0.43 -0.16 0.03 -0.69 0.98 0.00 0.00 173.24 173.83 1ul4 s VAL 85 N 0.68 0.17 -0.23 5.02 1.01 -1.13 -4.99 120.40 120.94 1ul4 s VAL 85 Ca -0.04 -1.43 -0.10 0.00 0.00 0.00 0.00 61.98 60.41 1ul4 s VAL 85 Cb -0.05 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1ul4 s VAL 85 CO -0.05 -0.79 0.16 0.12 0.00 0.00 0.00 175.10 174.54 1ul4 s PHE 86 N -3.27 3.34 -0.14 5.22 5.36 -1.26 -1.88 117.98 125.35 1ul4 s PHE 86 Ca 0.01 0.26 -0.05 0.00 -0.96 0.00 0.00 56.93 56.19 1ul4 s PHE 86 Cb 0.03 -2.24 0.07 0.00 -0.34 0.00 0.00 43.02 40.54 1ul4 s PHE 86 CO -0.08 0.13 0.26 -1.17 -1.46 0.00 0.00 175.22 172.90 1ul4 s LEU 87 N 0.87 -0.29 -1.68 6.12 2.96 -0.09 -4.55 118.68 122.01 1ul4 s LEU 87 Ca 0.08 0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1ul4 s LEU 87 Cb -0.13 0.68 0.00 0.00 0.50 0.00 0.00 46.19 47.25 1ul4 s LEU 87 CO 0.03 -0.25 0.28 -1.20 -1.32 0.00 0.00 176.35 173.88 1ul4 n SER 88 N 5.35 -5.98 -1.50 3.68 7.64 -1.26 -1.73 113.62 119.81 1ul4 n SER 88 Ca -0.06 -0.14 -0.10 0.00 1.01 0.00 0.00 58.87 59.58 1ul4 n SER 88 Cb 0.50 -4.91 0.02 0.00 -1.01 0.00 0.00 64.21 58.80 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 -1.24 0.11 3.36 0.23 0.00 -1.26 -5.03 105.19 101.36 1ul4 n GLY 89 Ca -0.19 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.33 0.25 0.15 0.99 0.20 -0.70 -5.15 118.68 111.09 1ul4 s LEU 90 Ca 0.13 0.77 -0.30 0.00 0.69 0.00 0.00 54.13 55.43 1ul4 s LEU 90 Cb -0.06 1.62 -0.07 0.00 -0.43 0.00 0.00 46.19 47.26 1ul4 s LEU 90 CO 0.16 -0.25 0.96 0.20 -0.29 0.00 0.00 176.35 177.13 1ul4 s ASN 91 N -0.15 7.55 0.26 3.68 0.01 -1.26 -0.92 114.94 124.12 1ul4 s ASN 91 Ca -0.03 1.85 0.06 0.00 -0.71 0.00 0.00 52.86 54.02 1ul4 s ASN 91 Cb -0.03 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1ul4 s ASN 91 CO 0.02 0.01 0.23 0.00 -1.51 0.00 0.00 177.10 175.85 1ul4 n GLN 92 N 2.36 0.33 -3.93 -0.60 6.02 -0.79 -2.48 117.38 118.30 1ul4 n GLN 92 Ca 0.01 -2.64 -0.10 0.00 -0.01 0.00 0.00 57.00 54.26 1ul4 n GLN 92 Cb 0.48 2.18 -0.10 0.00 1.02 0.00 0.00 30.24 33.82 1ul4 n GLN 92 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ul4 s ARG 93 N -3.07 0.47 -0.84 -1.09 0.52 0.62 -2.82 118.95 112.74 1ul4 s ARG 93 Ca 0.32 -0.61 -0.25 0.00 -0.52 0.00 0.00 55.73 54.67 1ul4 s ARG 93 Cb 0.01 0.18 0.04 0.00 0.52 0.00 0.00 34.95 35.71 1ul4 s ARG 93 CO 0.22 -0.10 1.31 0.12 0.02 0.00 0.00 175.30 176.87 1ul4 s PHE 94 N -1.89 2.42 -0.64 -0.53 5.36 -1.26 -1.18 117.98 120.26 1ul4 s PHE 94 Ca -0.11 -0.41 -0.26 0.00 -0.96 0.00 0.00 56.93 55.18 1ul4 s PHE 94 Cb -0.06 -4.62 0.04 0.00 -0.34 0.00 0.00 43.02 38.04 1ul4 s PHE 94 CO -0.02 -1.98 1.16 0.00 -1.46 0.00 0.00 175.22 172.92 1ul4 h GLN 96 N 9.69 0.00 -0.99 0.00 3.07 -1.91 0.15 115.11 125.11 1ul4 h GLN 96 Ca -0.27 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.58 1ul4 h GLN 96 Cb 1.06 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 28.54 1ul4 h GLN 96 CO 1.20 0.25 0.63 0.37 0.09 0.00 0.00 178.83 181.37 1ul4 h GLN 97 N 0.00 0.98 -0.18 0.06 -0.00 -1.92 -2.38 115.11 111.68 1ul4 h GLN 97 Ca -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1ul4 h GLN 97 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.74 1ul4 h GLN 97 CO 0.03 0.65 0.00 0.00 0.00 0.00 0.00 178.83 179.51 1ul4 n SER 99 N -0.01 -3.57 -4.30 0.00 2.88 0.47 -4.89 113.62 104.20 1ul4 n SER 99 Ca 0.06 0.23 -0.23 0.00 -1.33 0.00 0.00 58.87 57.60 1ul4 n SER 99 Cb 0.36 -2.99 -0.09 0.00 -0.75 0.00 0.00 64.21 60.73 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 -2.56 1.76 0.46 -1.46 1.70 -0.91 -4.95 118.95 112.99 1ul4 s ARG 100 Ca 0.00 -2.02 -0.10 0.00 -0.47 0.00 0.00 55.73 53.14 1ul4 s ARG 100 Cb 0.00 -0.70 -0.06 0.00 -0.57 0.00 0.00 34.95 33.62 1ul4 s ARG 100 CO 0.00 -0.33 0.82 -0.06 -1.08 0.00 0.00 175.30 174.65 1ul4 s PHE 101 N -3.30 3.51 0.07 5.89 0.08 -1.26 -0.89 117.98 122.07 1ul4 s PHE 101 Ca 0.31 1.05 -0.05 0.00 0.12 0.00 0.00 56.93 58.36 1ul4 s PHE 101 Cb 0.06 -2.47 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1ul4 s PHE 101 CO 0.15 -0.23 0.09 -1.01 -0.10 0.00 0.00 175.22 174.11 1ul4 s HIS 102 N -2.57 0.31 0.59 0.36 3.76 -0.33 -4.84 115.29 112.57 1ul4 s HIS 102 Ca 0.51 -0.78 -0.19 0.00 -0.15 0.00 0.00 55.06 54.45 1ul4 s HIS 102 Cb -0.10 -0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 1ul4 s HIS 102 CO 0.37 -0.46 1.25 0.34 -0.85 0.00 0.00 174.74 175.39 1ul4 s ASP 103 N -2.82 5.12 0.60 1.40 2.15 -1.26 -0.28 116.67 121.59 1ul4 s ASP 103 Ca 0.05 2.49 0.34 0.00 0.43 0.00 0.00 52.55 55.86 1ul4 s ASP 103 Cb 0.06 -2.61 1.95 0.00 -0.30 0.00 0.00 42.92 42.01 1ul4 s ASP 103 CO -0.10 -1.65 2.25 -0.07 -0.17 0.00 0.00 175.17 175.44 1ul4 h LEU 104 N 0.96 0.00 -1.82 -1.34 3.38 -1.78 -0.23 115.31 114.47 1ul4 h LEU 104 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1ul4 h LEU 104 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1ul4 h LEU 104 CO 0.55 0.02 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1ul4 n GLN 105 N -3.53 2.40 -0.87 1.13 6.02 -1.26 -3.94 117.38 117.34 1ul4 n GLN 105 Ca -0.03 -1.46 -0.07 0.00 -0.01 0.00 0.00 57.00 55.43 1ul4 n GLN 105 Cb 0.11 -1.58 0.21 0.00 1.02 0.00 0.00 30.24 30.01 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 0.46 2.26 -3.01 -1.09 -0.58 -0.10 -4.62 120.64 113.96 1ul4 n GLU 106 Ca 0.13 -3.09 -0.15 0.00 -0.42 0.00 0.00 57.16 53.63 1ul4 n GLU 106 Cb 0.52 -1.94 0.02 0.00 -0.57 0.00 0.00 31.44 29.47 1ul4 n GLU 106 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1ul4 n PHE 107 N -0.95 -0.92 -0.84 -0.32 3.01 -1.25 -4.68 117.46 111.50 1ul4 n PHE 107 Ca 0.38 -3.18 -0.32 0.00 1.01 0.00 0.00 57.45 55.34 1ul4 n PHE 107 Cb 1.19 0.34 0.14 0.00 -0.01 0.00 0.00 39.48 41.14 1ul4 n PHE 107 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ul4 n ASP 108 N 0.29 -0.05 -1.07 4.37 9.92 -1.26 -4.58 116.55 124.17 1ul4 n ASP 108 Ca 0.18 0.45 0.03 0.00 -0.53 0.00 0.00 54.79 54.92 1ul4 n ASP 108 Cb 0.68 -1.42 -0.01 0.00 -0.64 0.00 0.00 41.12 39.73 1ul4 n ASP 108 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ul4 n GLU 109 N -3.32 -0.42 -1.50 -1.24 4.71 -1.26 -3.67 120.64 113.94 1ul4 n GLU 109 Ca 0.11 0.28 -0.27 0.00 -0.01 0.00 0.00 57.16 57.27 1ul4 n GLU 109 Cb 0.52 -0.51 -0.06 0.00 -1.01 0.00 0.00 31.44 30.37 1ul4 n GLU 109 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ul4 n ALA 110 N -0.33 6.54 -3.60 0.62 0.00 -1.26 -4.88 120.51 117.60 1ul4 n ALA 110 Ca 0.00 -3.07 -0.35 0.00 0.00 0.00 0.00 53.44 50.03 1ul4 n ALA 110 Cb 0.10 -2.31 -0.14 0.00 0.00 0.00 0.00 19.45 17.09 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 -1.12 3.31 -0.56 0.00 -0.14 -1.24 -5.00 119.74 114.98 1ul4 s LYS 111 Ca 0.60 -0.66 -0.03 0.00 -1.36 0.00 0.00 55.97 54.52 1ul4 s LYS 111 Cb 0.34 -2.92 0.20 0.00 -1.68 0.00 0.00 37.83 33.76 1ul4 s LYS 111 CO -0.17 -0.19 2.40 0.54 -0.76 0.00 0.00 175.35 177.17 1ul4 n ARG 112 N 4.73 2.43 -2.19 1.68 1.74 -1.26 -4.76 116.66 119.03 1ul4 n ARG 112 Ca -0.19 -2.62 -0.04 0.00 -0.77 0.00 0.00 57.85 54.23 1ul4 n ARG 112 Cb 0.51 -2.11 -0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1ul4 n ARG 112 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ul4 n SER 113 N 0.25 -0.55 -4.94 0.55 7.64 -1.26 -4.90 113.62 110.40 1ul4 n SER 113 Ca 0.49 -1.58 -0.24 0.00 1.01 0.00 0.00 58.87 58.54 1ul4 n SER 113 Cb 0.49 0.98 0.05 0.00 -1.01 0.00 0.00 64.21 64.72 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 -2.67 2.79 -0.04 0.00 0.63 -1.26 -3.87 116.66 112.24 1ul4 n ARG 115 Ca 0.08 -3.04 -0.22 0.00 -0.92 0.00 0.00 57.85 53.75 1ul4 n ARG 115 Cb 0.60 -1.97 -0.13 0.00 0.45 0.00 0.00 32.46 31.40 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 -0.64 0.69 -0.04 -0.14 0.00 -1.26 -4.22 116.66 111.05 1ul4 n ARG 116 Ca 0.34 0.38 -0.05 0.00 -0.00 0.00 0.00 57.85 58.52 1ul4 n ARG 116 Cb 1.14 -1.72 -0.06 0.00 0.00 0.00 0.00 32.46 31.82 1ul4 n ARG 116 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ul4 n ARG 117 N -3.85 1.82 -0.12 -0.14 0.00 -1.26 -4.54 116.66 108.57 1ul4 n ARG 117 Ca -0.32 0.02 0.03 0.00 -0.00 0.00 0.00 57.85 57.58 1ul4 n ARG 117 Cb 0.91 -1.21 0.34 0.00 0.00 0.00 0.00 32.46 32.50 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 0.67 -2.39 6.15 5.85 -1.83 -0.73 115.31 123.02 1ul4 h LEU 118 Ca -0.22 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1ul4 h LEU 118 Cb 1.45 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1ul4 h LEU 118 CO -0.01 0.48 0.03 0.00 -0.34 0.00 0.00 178.44 178.61 1ul4 n ALA 119 N -2.45 3.31 0.25 1.25 0.00 -1.26 -4.31 120.51 117.30 1ul4 n ALA 119 Ca 0.06 -1.04 0.08 0.00 0.00 0.00 0.00 53.44 52.55 1ul4 n ALA 119 Cb 0.07 -1.08 0.63 0.00 0.00 0.00 0.00 19.45 19.06 1ul4 n ALA 119 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ul4 h GLY 120 N 4.30 0.00 1.96 0.00 0.00 -1.36 -1.74 103.07 106.23 1ul4 h GLY 120 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1ul4 h GLY 120 CO 0.29 0.00 -0.30 0.84 0.00 0.00 0.00 176.54 177.37 1ul4 h HIS 121 N 0.00 0.05 -2.86 5.60 6.17 -1.82 -3.44 115.15 118.85 1ul4 h HIS 121 Ca -0.00 -0.01 -0.37 0.00 0.71 0.00 0.00 60.37 60.70 1ul4 h HIS 121 Cb 0.19 -0.01 0.21 0.00 2.52 0.00 0.00 27.41 30.32 1ul4 h HIS 121 CO 0.00 0.34 -0.18 -1.71 0.71 0.00 0.00 177.93 177.10 1ul4 n ASN 122 N -4.17 -3.62 -4.15 3.26 2.85 -0.65 -5.06 115.26 103.71 1ul4 n ASN 122 Ca -0.02 -0.69 -0.18 0.00 -0.11 0.00 0.00 54.58 53.58 1ul4 n ASN 122 Cb 0.36 -1.03 -0.10 0.00 1.24 0.00 0.00 39.78 40.25 1ul4 n ASN 122 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1ul4 s GLU 123 N -4.75 1.53 -0.19 1.20 2.56 -1.26 -5.08 118.70 112.71 1ul4 s GLU 123 Ca 0.64 -1.85 0.07 0.00 0.00 0.00 0.00 54.97 53.83 1ul4 s GLU 123 Cb -0.14 -0.21 0.23 0.00 2.00 0.00 0.00 34.13 36.01 1ul4 s GLU 123 CO 0.56 -0.38 1.25 2.89 -0.56 0.00 0.00 175.26 179.03 1ul4 n ARG 124 N -0.54 0.76 -0.88 4.30 1.85 -1.26 -5.15 116.66 115.74 1ul4 n ARG 124 Ca 0.00 -1.03 -0.16 0.00 -1.00 0.00 0.00 57.85 55.66 1ul4 n ARG 124 Cb 0.66 0.44 0.12 0.00 -1.05 0.00 0.00 32.46 32.62 1ul4 n ARG 124 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1ul4 n ARG 125 N -0.87 -1.22 -0.05 2.89 1.74 -1.26 -5.06 116.66 112.83 1ul4 n ARG 125 Ca -0.20 -1.07 -0.08 0.00 -0.77 0.00 0.00 57.85 55.72 1ul4 n ARG 125 Cb 0.78 -0.81 -0.03 0.00 -1.02 0.00 0.00 32.46 31.38 1ul4 n ARG 125 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ul4 n ARG 126 N -2.82 0.34 -3.80 5.56 1.74 -1.26 -4.94 116.66 111.48 1ul4 n ARG 126 Ca 0.09 0.14 -0.37 0.00 -0.77 0.00 0.00 57.85 56.94 1ul4 n ARG 126 Cb 0.32 -1.09 -0.12 0.00 -1.02 0.00 0.00 32.46 30.54 1ul4 n ARG 126 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1ul4 s LYS 127 N -2.52 2.40 0.31 5.56 2.20 -1.26 -4.96 119.74 121.48 1ul4 s LYS 127 Ca -0.20 -1.39 0.03 0.00 -0.36 0.00 0.00 55.97 54.06 1ul4 s LYS 127 Cb 0.04 -3.42 0.52 0.00 -1.51 0.00 0.00 37.83 33.46 1ul4 s LYS 127 CO 0.28 -0.77 1.82 1.03 -0.36 0.00 0.00 175.35 177.34 1ul4 h SER 128 N 8.12 0.51 -4.04 1.43 0.87 -2.04 -3.43 113.55 114.97 1ul4 h SER 128 Ca -0.20 -0.12 -0.51 0.00 -1.23 0.00 0.00 61.79 59.73 1ul4 h SER 128 Cb 1.07 -0.13 0.07 0.00 -0.44 0.00 0.00 62.40 62.96 1ul4 h SER 128 CO 0.62 0.64 0.47 -0.44 -0.53 0.00 0.00 176.83 177.58 1ul4 s SER 129 N -6.75 5.97 0.00 6.23 0.01 -1.26 -4.74 113.70 113.16 1ul4 s SER 129 Ca -0.07 2.27 0.00 0.00 1.31 0.00 0.00 55.95 59.45 1ul4 s SER 129 Cb 0.15 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1ul4 s SER 129 CO 0.78 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1ul4 n GLY 130 N 0.35 0.39 0.19 3.44 0.00 -1.26 -5.15 105.19 103.14 1ul4 n GLY 130 Ca 0.09 -0.68 0.15 0.00 0.00 0.00 0.00 46.02 45.58 1ul4 n GLY 130 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11