#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul4 n ARG 52 N 0.00 0.40 -0.05 3.23 5.12 -1.26 -4.72 116.66 119.38 1ul4 n ARG 52 Ca 0.00 -2.90 -0.03 0.00 -1.93 0.00 0.00 57.85 52.99 1ul4 n ARG 52 Cb 0.00 -1.52 -0.09 0.00 -1.16 0.00 0.00 32.46 29.69 1ul4 n ARG 52 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ul4 n LEU 53 N 2.45 0.00 -4.69 0.55 4.77 -1.26 -5.00 117.00 113.82 1ul4 n LEU 53 Ca 0.25 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.78 1ul4 n LEU 53 Cb 0.51 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 1ul4 n LEU 53 CO 0.08 0.23 1.19 0.00 -1.33 0.00 0.00 177.39 177.56 1ul4 h GLN 55 N 5.38 0.00 -6.40 0.00 3.07 -1.90 -3.46 115.11 111.80 1ul4 h GLN 55 Ca -0.45 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 57.71 1ul4 h GLN 55 Cb 1.24 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.84 1ul4 h GLN 55 CO 0.85 0.54 1.04 0.28 0.09 0.00 0.00 178.83 181.63 1ul4 n VAL 56 N -3.19 0.40 -1.71 1.86 0.31 -1.26 -4.95 118.33 109.79 1ul4 n VAL 56 Ca -0.00 -0.07 -0.32 0.00 -0.01 0.00 0.00 64.34 63.94 1ul4 n VAL 56 Cb 0.78 -1.91 0.04 0.00 -0.91 0.00 0.00 33.84 31.85 1ul4 n VAL 56 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ul4 s ASP 57 N 2.99 5.30 -1.88 4.52 1.11 -1.26 -3.41 116.67 124.03 1ul4 s ASP 57 Ca 0.86 1.80 0.00 0.00 0.18 0.00 0.00 52.55 55.39 1ul4 s ASP 57 Cb -0.61 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 40.86 1ul4 s ASP 57 CO 0.43 -1.50 0.00 0.54 1.18 0.00 0.00 175.17 175.83 1ul4 n ARG 58 N -2.69 -1.52 -2.45 8.23 5.12 -1.26 -4.75 116.66 117.34 1ul4 n ARG 58 Ca 0.09 1.07 -0.41 0.00 -1.93 0.00 0.00 57.85 56.66 1ul4 n ARG 58 Cb 0.53 -5.57 -0.03 0.00 -1.16 0.00 0.00 32.46 26.22 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 2.93 0.86 -2.49 0.00 -2.24 -1.26 -5.09 114.28 107.00 1ul4 n THR 60 Ca 0.05 -1.75 -0.25 0.00 -2.27 0.00 0.00 64.05 59.83 1ul4 n THR 60 Cb 0.46 0.46 0.14 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.27 3.43 -0.22 6.98 0.00 -1.26 -5.08 121.76 124.34 1ul4 s ALA 61 Ca 0.32 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 1ul4 s ALA 61 Cb 0.34 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1ul4 s ALA 61 CO -0.11 -1.78 0.02 0.34 0.00 0.00 0.00 175.76 174.23 1ul4 s ASP 62 N -4.84 4.88 -0.22 0.00 2.15 -1.26 -4.97 116.67 112.42 1ul4 s ASP 62 Ca 0.70 -0.23 0.11 0.00 0.43 0.00 0.00 52.55 53.55 1ul4 s ASP 62 Cb -0.04 -1.85 0.42 0.00 -0.30 0.00 0.00 42.92 41.15 1ul4 s ASP 62 CO 0.47 0.01 1.22 0.23 -0.17 0.00 0.00 175.17 176.92 1ul4 n MET 63 N 4.62 1.79 -0.17 4.34 2.81 -1.26 -4.76 117.12 124.49 1ul4 n MET 63 Ca -0.17 -3.39 -0.09 0.00 -1.81 0.00 0.00 57.70 52.24 1ul4 n MET 63 Cb 0.51 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.13 0.79 -2.50 0.03 3.64 -1.93 -3.36 116.57 114.36 1ul4 h LYS 64 Ca 0.04 -0.21 -0.60 0.00 -1.27 0.00 0.00 60.65 58.61 1ul4 h LYS 64 Cb 1.07 -0.09 -0.39 0.00 -0.41 0.00 0.00 32.23 32.41 1ul4 h LYS 64 CO 0.08 0.79 -0.90 -1.21 -2.27 0.00 0.00 179.45 175.94 1ul4 s GLU 65 N -5.21 1.17 0.50 1.90 0.41 -1.26 -4.92 118.70 111.29 1ul4 s GLU 65 Ca -0.13 -2.31 -0.04 0.00 -0.41 0.00 0.00 54.97 52.08 1ul4 s GLU 65 Cb 0.11 -1.78 -0.02 0.00 -1.78 0.00 0.00 34.13 30.67 1ul4 s GLU 65 CO 0.80 -1.36 0.78 0.00 -0.49 0.00 0.00 175.26 174.99 1ul4 s ALA 66 N -0.18 3.44 0.94 5.21 0.00 -1.26 -5.09 121.76 124.81 1ul4 s ALA 66 Ca 0.31 -0.64 -0.15 0.00 0.00 0.00 0.00 51.96 51.48 1ul4 s ALA 66 Cb 0.01 -2.51 0.18 0.00 0.00 0.00 0.00 23.12 20.80 1ul4 s ALA 66 CO -0.19 -0.44 1.27 0.21 0.00 0.00 0.00 175.76 176.61 1ul4 s LYS 67 N -4.75 0.85 0.40 0.00 2.20 -1.26 -4.89 119.74 112.28 1ul4 s LYS 67 Ca 0.49 -0.25 0.20 0.00 -0.36 0.00 0.00 55.97 56.05 1ul4 s LYS 67 Cb -0.10 -1.86 0.75 0.00 -1.51 0.00 0.00 37.83 35.11 1ul4 s LYS 67 CO 0.44 -2.30 1.76 1.25 -0.36 0.00 0.00 175.35 176.13 1ul4 h LEU 68 N -1.56 0.00 0.00 5.43 6.46 -1.98 -2.26 115.31 121.40 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 0.45 0.32 -0.00 0.22 -0.62 0.00 0.00 178.44 178.81 1ul4 h TYR 69 N 0.00 -0.00 0.00 1.25 3.20 -2.01 -3.14 116.97 116.27 1ul4 h TYR 69 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ul4 h TYR 69 Cb 0.86 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1ul4 h TYR 69 CO 0.00 0.71 0.00 0.45 -1.64 0.00 0.00 178.16 177.68 1ul4 h HIS 70 N -1.00 0.00 0.07 -3.82 3.86 -1.87 -2.02 115.15 110.37 1ul4 h HIS 70 Ca -0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1ul4 h HIS 70 Cb 0.72 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1ul4 h HIS 70 CO 0.20 0.00 -1.12 0.00 0.86 0.00 0.00 177.93 177.87 1ul4 h ARG 71 N 0.00 0.14 -0.11 2.45 2.47 -1.48 -0.30 114.38 117.55 1ul4 h ARG 71 Ca 0.00 -0.24 -0.07 0.00 -1.26 0.00 0.00 59.98 58.41 1ul4 h ARG 71 Cb 0.21 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1ul4 h ARG 71 CO 0.00 1.11 -0.22 -0.09 0.56 0.00 0.00 179.97 181.33 1ul4 h ARG 72 N 0.04 0.34 0.00 0.04 1.12 -1.31 -3.23 114.38 111.38 1ul4 h ARG 72 Ca -0.07 -0.22 -0.12 0.00 -1.11 0.00 0.00 59.98 58.46 1ul4 h ARG 72 Cb 1.87 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 31.84 1ul4 h ARG 72 CO 0.17 0.82 -0.56 0.45 -3.11 0.00 0.00 179.97 177.74 1ul4 h HIS 73 N -0.09 0.00 -4.84 2.20 -0.00 -1.62 -3.48 115.15 107.32 1ul4 h HIS 73 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.14 1ul4 h HIS 73 Cb 0.81 0.00 0.14 0.00 -0.00 0.00 0.00 27.41 28.36 1ul4 h HIS 73 CO 0.11 0.56 -0.62 1.63 -0.00 0.00 0.00 177.93 179.60 1ul4 n LYS 74 N -3.24 -3.76 -3.73 2.45 5.02 -0.14 -4.91 118.16 109.85 1ul4 n LYS 74 Ca 0.02 0.66 -0.13 0.00 -2.02 0.00 0.00 58.31 56.84 1ul4 n LYS 74 Cb 0.76 -4.99 -0.10 0.00 -0.02 0.00 0.00 35.03 30.68 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 -3.29 -0.00 0.75 -0.18 0.11 -1.12 -3.19 120.40 113.48 1ul4 s VAL 75 Ca 0.14 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.10 1ul4 s VAL 75 Cb -0.02 -0.56 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1ul4 s VAL 75 CO 0.56 0.01 1.08 0.00 -3.33 0.00 0.00 175.10 173.42 1ul4 h GLU 77 N -0.97 0.25 0.00 0.00 4.81 -1.99 0.90 114.58 117.58 1ul4 h GLU 77 Ca -0.44 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.57 1ul4 h GLU 77 Cb 1.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1ul4 h GLU 77 CO 0.54 0.28 -0.85 0.28 -0.73 0.00 0.00 179.01 178.53 1ul4 h VAL 78 N 0.25 1.57 0.00 0.32 2.07 -1.93 -1.21 116.25 117.32 1ul4 h VAL 78 Ca 0.06 -2.79 -0.09 0.00 0.82 0.00 0.00 66.70 64.70 1ul4 h VAL 78 Cb 0.18 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1ul4 h VAL 78 CO 0.00 0.80 -1.19 0.45 0.02 0.00 0.00 177.57 177.65 1ul4 h HIS 79 N 0.03 0.00 0.11 1.57 3.86 -1.71 -3.14 115.15 115.88 1ul4 h HIS 79 Ca -0.02 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.93 1ul4 h HIS 79 Cb 1.49 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.96 1ul4 h HIS 79 CO 0.01 0.30 -1.31 0.00 0.86 0.00 0.00 177.93 177.79 1ul4 h ALA 80 N 1.70 0.14 -0.72 2.45 0.00 0.77 -3.35 119.26 120.25 1ul4 h ALA 80 Ca -0.08 -1.03 -0.29 0.00 0.00 0.00 0.00 54.91 53.52 1ul4 h ALA 80 Cb 1.30 0.42 -0.17 0.00 0.00 0.00 0.00 17.79 19.34 1ul4 h ALA 80 CO 0.02 0.75 0.36 1.63 0.00 0.00 0.00 179.25 182.01 1ul4 n LYS 81 N -3.97 2.89 -3.12 0.00 5.02 -0.46 -4.61 118.16 113.90 1ul4 n LYS 81 Ca -0.23 -2.62 -0.29 0.00 -2.02 0.00 0.00 58.31 53.15 1ul4 n LYS 81 Cb 0.88 -2.06 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ul4 s ALA 82 N -2.71 3.52 0.02 7.82 0.00 -1.19 -4.96 121.76 124.26 1ul4 s ALA 82 Ca 0.48 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.04 1ul4 s ALA 82 Cb 0.39 -2.44 -0.23 0.00 0.00 0.00 0.00 23.12 20.84 1ul4 s ALA 82 CO 0.11 0.09 0.90 0.66 0.00 0.00 0.00 175.76 177.52 1ul4 h SER 83 N 1.33 0.09 -0.76 0.00 4.64 -1.92 -3.40 113.55 113.53 1ul4 h SER 83 Ca -0.48 -0.14 0.12 0.00 -0.47 0.00 0.00 61.79 60.82 1ul4 h SER 83 Cb 1.19 -0.03 -0.21 0.00 -0.31 0.00 0.00 62.40 63.04 1ul4 h SER 83 CO 0.65 1.12 -0.18 -0.94 -0.87 0.00 0.00 176.83 176.61 1ul4 s SER 84 N -6.51 -1.13 0.26 4.97 1.04 -1.26 -4.54 113.70 106.52 1ul4 s SER 84 Ca -0.04 0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.87 1ul4 s SER 84 Cb 0.08 1.86 -0.04 0.00 0.10 0.00 0.00 66.02 68.02 1ul4 s SER 84 CO 0.83 -0.21 0.44 -0.69 0.98 0.00 0.00 173.24 174.59 1ul4 s VAL 85 N 2.88 5.18 -1.21 5.02 1.01 -0.50 -4.87 120.40 127.91 1ul4 s VAL 85 Ca 0.14 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 1ul4 s VAL 85 Cb -0.11 -3.80 0.18 0.00 0.00 0.00 0.00 36.38 32.64 1ul4 s VAL 85 CO -0.20 -0.34 1.46 0.33 0.00 0.00 0.00 175.10 176.35 1ul4 n PHE 86 N -1.21 4.81 -3.53 5.22 7.35 -1.26 -2.58 117.46 126.27 1ul4 n PHE 86 Ca -0.06 -3.33 -0.38 0.00 -0.76 0.00 0.00 57.45 52.92 1ul4 n PHE 86 Cb 0.55 -2.15 -0.09 0.00 0.35 0.00 0.00 39.48 38.14 1ul4 n PHE 86 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1ul4 s LEU 87 N 1.31 4.08 -1.67 -2.13 0.20 -1.06 -4.25 118.68 115.17 1ul4 s LEU 87 Ca 0.42 0.19 -0.02 0.00 0.69 0.00 0.00 54.13 55.41 1ul4 s LEU 87 Cb -0.02 -2.26 0.00 0.00 -0.43 0.00 0.00 46.19 43.49 1ul4 s LEU 87 CO 0.00 -0.04 0.33 -0.24 -0.29 0.00 0.00 176.35 176.10 1ul4 n SER 88 N 4.75 -6.05 -1.43 3.68 2.88 -1.26 -1.45 113.62 114.74 1ul4 n SER 88 Ca -0.12 -0.16 -0.14 0.00 -1.33 0.00 0.00 58.87 57.12 1ul4 n SER 88 Cb 0.52 -4.95 -0.02 0.00 -0.75 0.00 0.00 64.21 59.01 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 -1.29 0.23 1.33 0.46 0.00 -1.26 -4.99 105.19 99.66 1ul4 n GLY 89 Ca -0.18 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1ul4 n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ul4 n LEU 90 N -1.86 0.00 -4.19 0.99 7.94 -0.53 -5.11 117.00 114.24 1ul4 n LEU 90 Ca -0.16 -1.26 -0.35 0.00 -1.11 0.00 0.00 56.01 53.13 1ul4 n LEU 90 Cb 0.58 0.49 -0.14 0.00 0.53 0.00 0.00 43.42 44.88 1ul4 n LEU 90 CO 0.19 -0.20 -0.35 0.20 -1.11 0.00 0.00 177.39 176.12 1ul4 s ASN 91 N -1.99 4.86 0.02 1.96 -0.87 -1.26 -2.56 114.94 115.10 1ul4 s ASN 91 Ca 0.11 -1.18 0.01 0.00 -1.57 0.00 0.00 52.86 50.22 1ul4 s ASN 91 Cb 0.01 -1.72 -0.01 0.00 -0.02 0.00 0.00 41.25 39.50 1ul4 s ASN 91 CO 0.07 -0.24 -0.04 -1.10 -2.57 0.00 0.00 177.10 173.22 1ul4 s GLN 92 N 1.28 0.32 -0.09 -0.60 1.11 -1.06 -1.99 119.66 118.63 1ul4 s GLN 92 Ca -0.04 -0.42 0.01 0.00 0.01 0.00 0.00 55.36 54.91 1ul4 s GLN 92 Cb -0.19 -0.13 -0.02 0.00 -1.01 0.00 0.00 33.01 31.66 1ul4 s GLN 92 CO -0.01 0.02 -0.10 0.50 0.01 0.00 0.00 175.29 175.71 1ul4 s ARG 93 N -0.88 2.99 -0.18 2.91 3.52 -0.74 -1.41 118.95 125.16 1ul4 s ARG 93 Ca -0.07 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.63 1ul4 s ARG 93 Cb -0.06 -2.60 -0.06 0.00 -1.56 0.00 0.00 34.95 30.66 1ul4 s ARG 93 CO -0.00 0.48 2.17 0.34 -0.81 0.00 0.00 175.30 177.48 1ul4 n PHE 94 N 2.76 2.05 -3.07 5.12 7.35 -1.26 -2.65 117.46 127.75 1ul4 n PHE 94 Ca -0.18 -0.14 -0.45 0.00 -0.76 0.00 0.00 57.45 55.92 1ul4 n PHE 94 Cb 0.53 -2.73 -0.04 0.00 0.35 0.00 0.00 39.48 37.59 1ul4 n PHE 94 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ul4 h GLN 96 N 9.10 0.00 -0.84 0.00 4.15 -1.89 0.16 115.11 125.79 1ul4 h GLN 96 Ca -0.21 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.28 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 1.09 0.05 0.55 0.37 -1.93 0.00 0.00 178.83 178.96 1ul4 h GLN 97 N 0.00 0.88 -0.02 1.69 4.15 -1.91 -2.67 115.11 117.23 1ul4 h GLN 97 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1ul4 h GLN 97 Cb 0.11 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1ul4 h GLN 97 CO 0.01 0.58 0.00 0.00 -1.93 0.00 0.00 178.83 177.49 1ul4 n SER 99 N -0.71 -4.13 -4.10 0.00 2.88 0.50 -4.89 113.62 103.16 1ul4 n SER 99 Ca 0.05 0.19 -0.26 0.00 -1.33 0.00 0.00 58.87 57.53 1ul4 n SER 99 Cb 0.38 -3.16 -0.08 0.00 -0.75 0.00 0.00 64.21 60.60 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 -2.38 1.96 0.26 -1.46 1.70 -0.91 -4.93 118.95 113.19 1ul4 s ARG 100 Ca 0.00 -2.20 -0.00 0.00 -0.47 0.00 0.00 55.73 53.05 1ul4 s ARG 100 Cb 0.00 -0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 33.73 1ul4 s ARG 100 CO 0.00 -0.50 0.45 -0.06 -1.08 0.00 0.00 175.30 174.11 1ul4 s PHE 101 N -3.19 3.48 0.03 5.89 0.40 -1.26 0.59 117.98 123.92 1ul4 s PHE 101 Ca 0.23 0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 56.87 1ul4 s PHE 101 Cb 0.02 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 1ul4 s PHE 101 CO 0.14 0.29 0.03 -1.01 0.70 0.00 0.00 175.22 175.37 1ul4 s HIS 102 N -2.04 0.28 0.74 0.36 3.76 -1.08 -4.85 115.29 112.46 1ul4 s HIS 102 Ca 0.39 -0.62 -0.15 0.00 -0.15 0.00 0.00 55.06 54.53 1ul4 s HIS 102 Cb -0.10 -0.21 0.04 0.00 1.11 0.00 0.00 32.58 33.42 1ul4 s HIS 102 CO 0.31 -0.30 1.21 0.34 -0.85 0.00 0.00 174.74 175.45 1ul4 s ASP 103 N -2.03 4.12 0.56 1.40 2.15 -1.26 -1.79 116.67 119.82 1ul4 s ASP 103 Ca -0.07 2.36 0.24 0.00 0.43 0.00 0.00 52.55 55.52 1ul4 s ASP 103 Cb -0.03 -2.59 1.54 0.00 -0.30 0.00 0.00 42.92 41.54 1ul4 s ASP 103 CO -0.04 -2.31 2.14 -0.07 -0.17 0.00 0.00 175.17 174.71 1ul4 h LEU 104 N -0.37 0.00 0.00 -1.34 3.38 -1.78 0.15 115.31 115.36 1ul4 h LEU 104 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 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 0.49 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.02 1ul4 n GLN 105 N -4.13 0.11 -1.00 1.13 6.02 -1.26 -2.95 117.38 115.31 1ul4 n GLN 105 Ca 0.00 0.14 -0.19 0.00 -0.01 0.00 0.00 57.00 56.94 1ul4 n GLN 105 Cb 0.24 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.41 2.06 -3.08 -1.09 1.02 0.54 -4.49 120.64 114.20 1ul4 n GLU 106 Ca 0.07 -2.46 -0.19 0.00 -0.02 0.00 0.00 57.16 54.56 1ul4 n GLU 106 Cb 0.20 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1ul4 n GLU 106 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ul4 n PHE 107 N -0.82 -1.01 -1.74 -0.32 3.72 -1.15 -4.53 117.46 111.60 1ul4 n PHE 107 Ca 0.48 -3.16 -0.40 0.00 -0.05 0.00 0.00 57.45 54.32 1ul4 n PHE 107 Cb 1.45 0.12 0.02 0.00 -0.94 0.00 0.00 39.48 40.13 1ul4 n PHE 107 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ul4 n ASP 108 N 1.24 3.10 -1.28 4.37 2.03 -1.26 -4.54 116.55 120.22 1ul4 n ASP 108 Ca 0.18 1.12 0.15 0.00 0.52 0.00 0.00 54.79 56.76 1ul4 n ASP 108 Cb 0.58 -1.57 -0.04 0.00 -0.72 0.00 0.00 41.12 39.37 1ul4 n ASP 108 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ul4 n GLU 109 N -0.12 -2.19 -1.04 -0.67 1.02 -1.26 -3.72 120.64 112.66 1ul4 n GLU 109 Ca 0.06 1.45 -0.34 0.00 -0.02 0.00 0.00 57.16 58.30 1ul4 n GLU 109 Cb 0.41 -2.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.12 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 -1.73 4.42 -3.70 0.62 0.00 -1.26 -4.82 120.51 114.04 1ul4 n ALA 110 Ca 0.01 -2.82 -0.28 0.00 0.00 0.00 0.00 53.44 50.35 1ul4 n ALA 110 Cb 0.50 -3.34 -0.17 0.00 0.00 0.00 0.00 19.45 16.44 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 3.95 2.13 -0.58 0.00 1.02 -1.24 -5.02 119.74 119.99 1ul4 s LYS 111 Ca 0.49 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.94 1ul4 s LYS 111 Cb 0.13 -1.85 0.38 0.00 -0.52 0.00 0.00 37.83 35.97 1ul4 s LYS 111 CO 0.02 -0.09 2.05 0.54 -0.92 0.00 0.00 175.35 176.95 1ul4 n ARG 112 N 4.29 2.45 -4.03 1.68 1.74 -1.26 -4.71 116.66 116.81 1ul4 n ARG 112 Ca -0.19 -2.83 -0.10 0.00 -0.77 0.00 0.00 57.85 53.96 1ul4 n ARG 112 Cb 0.51 -2.11 -0.06 0.00 -1.02 0.00 0.00 32.46 29.79 1ul4 n ARG 112 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1ul4 s SER 113 N -1.24 0.08 1.10 0.55 0.01 -1.26 -4.85 113.70 108.08 1ul4 s SER 113 Ca 0.55 -1.07 -0.07 0.00 1.31 0.00 0.00 55.95 56.68 1ul4 s SER 113 Cb 0.44 0.58 0.10 0.00 0.21 0.00 0.00 66.02 67.35 1ul4 s SER 113 CO -0.03 -1.14 0.23 0.00 0.41 0.00 0.00 173.24 172.72 1ul4 n ARG 115 N -2.92 0.14 -0.03 0.00 0.63 -1.26 -4.61 116.66 108.61 1ul4 n ARG 115 Ca 0.04 -1.91 -0.02 0.00 -0.92 0.00 0.00 57.85 55.04 1ul4 n ARG 115 Cb 0.16 -0.25 -0.01 0.00 0.45 0.00 0.00 32.46 32.82 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 0.24 0.16 -0.08 -0.14 0.63 -1.26 -4.49 116.66 111.73 1ul4 n ARG 116 Ca 0.06 0.35 -0.07 0.00 -0.92 0.00 0.00 57.85 57.27 1ul4 n ARG 116 Cb 1.02 -1.10 -0.13 0.00 0.45 0.00 0.00 32.46 32.70 1ul4 n ARG 116 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1ul4 n ARG 117 N -3.12 1.24 -0.37 -0.14 1.85 -1.26 -4.46 116.66 110.40 1ul4 n ARG 117 Ca -0.03 -0.02 0.01 0.00 -1.00 0.00 0.00 57.85 56.82 1ul4 n ARG 117 Cb 0.10 -1.43 0.16 0.00 -1.05 0.00 0.00 32.46 30.24 1ul4 n ARG 117 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1ul4 h LEU 118 N 0.00 1.07 0.00 2.89 7.12 -1.86 -3.42 115.31 121.10 1ul4 h LEU 118 Ca -0.43 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.58 1ul4 h LEU 118 Cb 1.97 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.86 1ul4 h LEU 118 CO 0.02 0.71 0.00 0.00 -0.13 0.00 0.00 178.44 179.04 1ul4 n ALA 119 N -2.37 0.00 0.00 1.25 0.00 -1.26 -5.06 120.51 113.07 1ul4 n ALA 119 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ul4 n ALA 119 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1ul4 n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ul4 n GLY 120 N 1.43 -0.56 1.44 0.00 0.00 -1.26 -5.01 105.19 101.23 1ul4 n GLY 120 Ca 0.00 -0.66 0.17 0.00 0.00 0.00 0.00 46.02 45.53 1ul4 n GLY 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ul4 n HIS 121 N 1.52 -3.87 -4.56 1.61 -0.00 -1.26 -5.03 115.22 103.62 1ul4 n HIS 121 Ca 0.00 2.14 -0.27 0.00 0.46 0.00 0.00 57.72 60.05 1ul4 n HIS 121 Cb 0.00 -3.52 -0.08 0.00 -0.12 0.00 0.00 29.99 26.27 1ul4 n HIS 121 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1ul4 s ASN 122 N -7.25 3.08 -0.14 0.26 4.22 -1.26 -5.08 114.94 108.76 1ul4 s ASN 122 Ca 0.00 -1.71 0.03 0.00 -2.14 0.00 0.00 52.86 49.04 1ul4 s ASN 122 Cb 0.00 0.58 -0.10 0.00 1.28 0.00 0.00 41.25 43.01 1ul4 s ASN 122 CO 0.00 -0.96 -0.10 -0.62 -2.04 0.00 0.00 177.10 173.38 1ul4 n GLU 123 N -1.00 0.69 -3.54 3.55 -0.58 -1.26 -5.03 120.64 113.47 1ul4 n GLU 123 Ca -0.09 0.07 -0.22 0.00 -0.42 0.00 0.00 57.16 56.50 1ul4 n GLU 123 Cb 0.65 -1.29 0.08 0.00 -0.57 0.00 0.00 31.44 30.30 1ul4 n GLU 123 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1ul4 n ARG 124 N -2.84 -7.59 -0.11 3.49 0.00 -1.26 -4.93 116.66 103.42 1ul4 n ARG 124 Ca -0.25 0.80 -0.20 0.00 -0.00 0.00 0.00 57.85 58.20 1ul4 n ARG 124 Cb 0.80 -5.77 -0.07 0.00 0.00 0.00 0.00 32.46 27.42 1ul4 n ARG 124 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ul4 n ARG 125 N -4.78 0.51 0.00 -0.14 0.63 -1.26 -5.01 116.66 106.61 1ul4 n ARG 125 Ca -0.02 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1ul4 n ARG 125 Cb 0.57 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1ul4 n ARG 125 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1ul4 n ARG 126 N -4.21 0.00 -5.17 -0.14 1.85 -1.26 -5.11 116.66 102.61 1ul4 n ARG 126 Ca -0.36 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.18 1ul4 n ARG 126 Cb 0.71 -0.02 -0.17 0.00 -1.05 0.00 0.00 32.46 31.94 1ul4 n ARG 126 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1ul4 s LYS 127 N -1.91 2.79 -0.47 2.89 1.02 -1.26 -5.08 119.74 117.72 1ul4 s LYS 127 Ca 0.00 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.17 1ul4 s LYS 127 Cb 0.00 -2.18 0.15 0.00 -0.52 0.00 0.00 37.83 35.28 1ul4 s LYS 127 CO 0.00 0.22 0.29 0.45 -0.92 0.00 0.00 175.35 175.39 1ul4 s SER 128 N 0.23 3.34 -0.26 2.83 0.15 -1.26 -4.74 113.70 114.00 1ul4 s SER 128 Ca -0.15 -2.86 -0.26 0.00 0.70 0.00 0.00 55.95 53.38 1ul4 s SER 128 Cb -0.17 -0.96 0.13 0.00 -1.71 0.00 0.00 66.02 63.32 1ul4 s SER 128 CO 0.07 -0.22 1.07 -0.55 1.20 0.00 0.00 173.24 174.81 1ul4 s SER 129 N 0.08 -0.38 -0.05 5.45 0.15 -1.26 -5.07 113.70 112.62 1ul4 s SER 129 Ca 0.22 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.56 1ul4 s SER 129 Cb -0.16 0.66 0.06 0.00 -1.71 0.00 0.00 66.02 64.87 1ul4 s SER 129 CO -0.06 -0.18 0.59 0.61 1.20 0.00 0.00 173.24 175.40 1ul4 n GLY 130 N 1.79 0.01 0.48 9.45 0.00 -1.26 -5.21 105.19 110.45 1ul4 n GLY 130 Ca -0.11 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50