#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 1.70 -0.81 3.23 5.12 -1.26 -4.28 116.66 120.36 1ul4 n ARG 52 Ca 0.00 -3.77 -0.02 0.00 -1.93 0.00 0.00 57.85 52.12 1ul4 n ARG 52 Cb 0.00 -1.78 0.26 0.00 -1.16 0.00 0.00 32.46 29.77 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 0.04 4.96 -4.74 0.55 4.77 -1.26 -5.00 117.00 116.32 1ul4 n LEU 53 Ca 0.25 -3.33 -0.41 0.00 -0.03 0.00 0.00 56.01 52.48 1ul4 n LEU 53 Cb 0.63 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1ul4 n LEU 53 CO 0.26 0.90 0.86 0.00 -1.33 0.00 0.00 177.39 178.08 1ul4 h GLN 55 N 5.08 0.34 -6.96 0.00 3.07 -1.91 -3.44 115.11 111.28 1ul4 h GLN 55 Ca -0.45 -0.18 -0.54 0.00 0.09 0.00 0.00 58.65 57.57 1ul4 h GLN 55 Cb 1.21 0.01 0.11 0.00 0.08 0.00 0.00 27.48 28.89 1ul4 h GLN 55 CO 0.73 0.74 0.74 0.08 0.09 0.00 0.00 178.83 181.21 1ul4 s VAL 56 N -4.06 2.07 0.39 1.86 1.01 -1.26 -5.00 120.40 115.40 1ul4 s VAL 56 Ca -0.05 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1ul4 s VAL 56 Cb 0.13 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1ul4 s VAL 56 CO 0.80 0.01 0.67 -1.81 0.00 0.00 0.00 175.10 174.77 1ul4 s ASP 57 N -0.32 6.36 -1.88 3.32 1.01 -1.26 -4.10 116.67 119.80 1ul4 s ASP 57 Ca 0.56 0.79 0.00 0.00 0.71 0.00 0.00 52.55 54.62 1ul4 s ASP 57 Cb -0.45 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1ul4 s ASP 57 CO 0.60 -0.39 0.00 0.54 0.21 0.00 0.00 175.17 176.13 1ul4 n ARG 58 N -1.66 -1.53 -2.81 8.23 1.74 -1.26 -4.89 116.66 114.47 1ul4 n ARG 58 Ca -0.01 1.07 -0.36 0.00 -0.77 0.00 0.00 57.85 57.77 1ul4 n ARG 58 Cb 0.55 -5.59 -0.06 0.00 -1.02 0.00 0.00 32.46 26.34 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 0.38 0.00 -3.12 0.00 -2.24 -1.26 -5.12 114.28 102.91 1ul4 n THR 60 Ca 0.02 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 1ul4 n THR 60 Cb 0.51 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 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 3.52 0.01 6.98 0.00 -1.26 -5.03 121.76 125.98 1ul4 s ALA 61 Ca 0.06 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.26 1ul4 s ALA 61 Cb 0.07 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.68 1ul4 s ALA 61 CO -0.03 0.09 1.48 0.34 0.00 0.00 0.00 175.76 177.64 1ul4 s ASP 62 N -3.31 6.78 -0.07 0.00 2.15 -1.26 -4.89 116.67 116.07 1ul4 s ASP 62 Ca 0.46 2.21 0.21 0.00 0.43 0.00 0.00 52.55 55.87 1ul4 s ASP 62 Cb -0.10 -2.56 0.43 0.00 -0.30 0.00 0.00 42.92 40.38 1ul4 s ASP 62 CO 0.32 -0.77 1.19 0.23 -0.17 0.00 0.00 175.17 175.96 1ul4 n MET 63 N 5.52 0.56 -0.02 4.34 2.81 -1.26 -4.86 117.12 124.21 1ul4 n MET 63 Ca 0.14 -2.46 -0.13 0.00 -1.81 0.00 0.00 57.70 53.44 1ul4 n MET 63 Cb 0.43 -0.56 -0.09 0.00 -0.71 0.00 0.00 33.22 32.28 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 1.01 0.10 -1.48 0.03 1.63 -1.90 -3.34 116.57 112.62 1ul4 h LYS 64 Ca -0.15 -0.05 -0.27 0.00 -0.85 0.00 0.00 60.65 59.33 1ul4 h LYS 64 Cb 1.59 -0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 32.98 1ul4 h LYS 64 CO 0.07 0.53 -0.62 -1.21 -3.45 0.00 0.00 179.45 174.77 1ul4 s GLU 65 N -4.39 0.89 0.00 1.90 2.02 -1.26 -4.77 118.70 113.10 1ul4 s GLU 65 Ca -0.15 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1ul4 s GLU 65 Cb 0.03 -0.44 0.00 0.00 0.10 0.00 0.00 34.13 33.82 1ul4 s GLU 65 CO 0.70 -1.28 0.00 0.00 0.02 0.00 0.00 175.26 174.69 1ul4 n ALA 66 N 3.50 0.00 -3.49 5.21 0.00 -1.26 -5.08 120.51 119.39 1ul4 n ALA 66 Ca 0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 1ul4 n ALA 66 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 1ul4 n ALA 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ul4 s LYS 67 N -0.09 1.06 0.57 0.00 2.47 -1.26 -4.99 119.74 117.50 1ul4 s LYS 67 Ca 0.00 -0.08 0.29 0.00 -1.56 0.00 0.00 55.97 54.62 1ul4 s LYS 67 Cb 0.00 0.49 1.48 0.00 -1.46 0.00 0.00 37.83 38.34 1ul4 s LYS 67 CO 0.00 -0.40 1.93 1.25 0.16 0.00 0.00 175.35 178.29 1ul4 h LEU 68 N 2.48 0.00 -0.01 5.43 6.46 -2.00 0.38 115.31 128.04 1ul4 h LEU 68 Ca -0.28 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.29 1ul4 h LEU 68 Cb 1.22 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.12 1ul4 h LEU 68 CO 0.37 0.00 -0.91 0.22 -0.62 0.00 0.00 178.44 177.50 1ul4 h TYR 69 N 0.00 0.00 -0.91 1.25 3.20 -2.00 -3.24 116.97 115.27 1ul4 h TYR 69 Ca 0.24 0.00 -0.46 0.00 3.14 0.00 0.00 58.73 61.66 1ul4 h TYR 69 Cb 1.17 0.00 -0.27 0.00 1.54 0.00 0.00 36.73 39.17 1ul4 h TYR 69 CO 0.00 0.91 0.58 0.72 -1.64 0.00 0.00 178.16 178.73 1ul4 n HIS 70 N -3.33 2.81 0.00 -3.82 8.25 0.13 -4.28 115.22 114.97 1ul4 n HIS 70 Ca 0.00 -1.70 0.00 0.00 -0.26 0.00 0.00 57.72 55.77 1ul4 n HIS 70 Cb 0.90 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.94 0.00 -0.13 -0.41 1.74 -0.97 -4.02 116.66 111.93 1ul4 n ARG 71 Ca 0.54 0.00 0.23 0.00 -0.77 0.00 0.00 57.85 57.85 1ul4 n ARG 71 Cb 1.57 -0.18 0.66 0.00 -1.02 0.00 0.00 32.46 33.50 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 0.09 0.00 5.56 0.11 -1.80 0.34 114.38 118.69 1ul4 h ARG 72 Ca 0.00 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 59.93 1ul4 h ARG 72 Cb 0.00 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.04 1ul4 h ARG 72 CO 0.00 0.06 -0.80 0.45 0.10 0.00 0.00 179.97 179.78 1ul4 h HIS 73 N 0.10 0.00 -5.56 4.08 3.86 -1.84 -3.48 115.15 112.31 1ul4 h HIS 73 Ca 0.37 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.25 1ul4 h HIS 73 Cb 1.33 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.96 1ul4 h HIS 73 CO -0.00 0.63 -0.72 1.63 0.86 0.00 0.00 177.93 180.32 1ul4 n LYS 74 N -3.18 -6.72 -4.16 2.45 5.02 0.12 -4.90 118.16 106.79 1ul4 n LYS 74 Ca -0.01 0.81 -0.15 0.00 -2.02 0.00 0.00 58.31 56.95 1ul4 n LYS 74 Cb 0.80 -5.75 -0.11 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 -3.34 0.89 0.24 -0.18 0.11 -1.26 -3.75 120.40 113.12 1ul4 s VAL 75 Ca 0.14 -1.51 -0.09 0.00 -2.93 0.00 0.00 61.98 57.59 1ul4 s VAL 75 Cb -0.06 -1.20 -0.07 0.00 -1.53 0.00 0.00 36.38 33.51 1ul4 s VAL 75 CO 0.70 -0.49 0.56 0.00 -3.33 0.00 0.00 175.10 172.55 1ul4 h GLU 77 N 2.41 0.41 0.00 0.00 4.81 -1.96 0.79 114.58 121.04 1ul4 h GLU 77 Ca -0.47 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.53 1ul4 h GLU 77 Cb 1.17 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1ul4 h GLU 77 CO 0.69 0.34 -0.85 0.28 -0.73 0.00 0.00 179.01 178.73 1ul4 h VAL 78 N 0.42 1.55 0.00 0.32 2.07 -1.93 -2.32 116.25 116.35 1ul4 h VAL 78 Ca 0.11 -2.72 -0.20 0.00 0.82 0.00 0.00 66.70 64.70 1ul4 h VAL 78 Cb 0.07 2.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1ul4 h VAL 78 CO -0.01 0.78 -1.21 0.45 0.02 0.00 0.00 177.57 177.60 1ul4 h HIS 79 N 0.05 0.00 -0.03 1.57 3.86 -1.71 -3.06 115.15 115.84 1ul4 h HIS 79 Ca -0.03 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.03 1ul4 h HIS 79 Cb 1.48 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.96 1ul4 h HIS 79 CO 0.01 0.80 -0.57 0.00 0.86 0.00 0.00 177.93 179.04 1ul4 h ALA 80 N 1.20 0.11 -0.95 2.45 0.00 0.54 -3.28 119.26 119.33 1ul4 h ALA 80 Ca -0.13 -0.55 -0.58 0.00 0.00 0.00 0.00 54.91 53.65 1ul4 h ALA 80 Cb 1.72 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 19.24 1ul4 h ALA 80 CO 0.08 0.35 0.67 1.63 0.00 0.00 0.00 179.25 181.98 1ul4 n LYS 81 N -4.23 2.51 -3.34 0.00 5.02 -0.87 -4.39 118.16 112.85 1ul4 n LYS 81 Ca -0.10 -3.21 -0.35 0.00 -2.02 0.00 0.00 58.31 52.62 1ul4 n LYS 81 Cb 0.65 -2.22 -0.06 0.00 -0.02 0.00 0.00 35.03 33.38 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 -3.58 3.57 0.26 7.82 0.00 -1.15 -4.96 121.76 123.71 1ul4 s ALA 82 Ca 0.60 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.48 1ul4 s ALA 82 Cb 0.49 -2.54 0.33 0.00 0.00 0.00 0.00 23.12 21.40 1ul4 s ALA 82 CO 0.04 0.45 1.63 0.77 0.00 0.00 0.00 175.76 178.65 1ul4 h SER 83 N 3.57 0.36 -0.46 0.00 0.02 -1.93 -3.42 113.55 111.70 1ul4 h SER 83 Ca -0.49 -0.17 0.20 0.00 -0.84 0.00 0.00 61.79 60.50 1ul4 h SER 83 Cb 1.19 -0.10 -0.21 0.00 0.14 0.00 0.00 62.40 63.42 1ul4 h SER 83 CO 0.66 0.77 0.03 -0.94 -1.14 0.00 0.00 176.83 176.21 1ul4 s SER 84 N -6.88 -0.65 0.20 3.07 1.04 -1.26 -4.81 113.70 104.41 1ul4 s SER 84 Ca -0.05 0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.78 1ul4 s SER 84 Cb 0.13 1.53 -0.03 0.00 0.10 0.00 0.00 66.02 67.74 1ul4 s SER 84 CO 0.79 -0.12 0.32 -0.69 0.98 0.00 0.00 173.24 174.53 1ul4 s VAL 85 N 2.93 5.28 -0.31 5.02 1.01 -0.65 -4.89 120.40 128.80 1ul4 s VAL 85 Ca 0.06 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 1ul4 s VAL 85 Cb -0.10 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1ul4 s VAL 85 CO -0.14 -0.22 0.99 0.12 0.00 0.00 0.00 175.10 175.85 1ul4 s PHE 86 N -1.87 3.19 -0.11 5.22 5.36 -1.26 -2.32 117.98 126.18 1ul4 s PHE 86 Ca 0.34 1.12 -0.04 0.00 -0.96 0.00 0.00 56.93 57.40 1ul4 s PHE 86 Cb -0.10 -3.51 0.06 0.00 -0.34 0.00 0.00 43.02 39.13 1ul4 s PHE 86 CO 0.29 -0.68 0.19 -1.17 -1.46 0.00 0.00 175.22 172.39 1ul4 s LEU 87 N 3.41 -0.13 -1.83 6.12 2.96 -0.96 -4.09 118.68 124.15 1ul4 s LEU 87 Ca 0.42 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1ul4 s LEU 87 Cb -0.13 0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.95 1ul4 s LEU 87 CO 0.13 -0.26 0.00 -0.24 -1.32 0.00 0.00 176.35 174.67 1ul4 n SER 88 N 5.33 -5.46 0.00 3.68 2.88 -1.26 -2.34 113.62 116.45 1ul4 n SER 88 Ca -0.05 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1ul4 n SER 88 Cb 0.50 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.30 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 -0.76 2.22 3.88 0.46 0.00 -1.26 -4.99 105.19 104.74 1ul4 n GLY 89 Ca -0.22 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 2.90 -0.07 0.99 1.02 -0.99 -5.01 118.68 117.52 1ul4 s LEU 90 Ca 0.00 1.13 -0.23 0.00 0.02 0.00 0.00 54.13 55.05 1ul4 s LEU 90 Cb 0.00 -3.92 -0.04 0.00 0.02 0.00 0.00 46.19 42.25 1ul4 s LEU 90 CO 0.00 -1.35 0.70 0.20 0.02 0.00 0.00 176.35 175.92 1ul4 s ASN 91 N -4.36 6.98 0.11 2.29 0.01 -1.26 -2.27 114.94 116.44 1ul4 s ASN 91 Ca 0.58 1.18 0.05 0.00 -0.71 0.00 0.00 52.86 53.95 1ul4 s ASN 91 Cb -0.11 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1ul4 s ASN 91 CO 0.52 -0.12 -0.12 -1.10 -1.51 0.00 0.00 177.10 174.78 1ul4 s GLN 92 N 0.81 0.94 0.21 -0.60 -0.21 -0.98 -0.99 119.66 118.85 1ul4 s GLN 92 Ca 0.37 -1.23 0.09 0.00 0.02 0.00 0.00 55.36 54.61 1ul4 s GLN 92 Cb -0.18 -0.68 -0.05 0.00 1.00 0.00 0.00 33.01 33.11 1ul4 s GLN 92 CO 0.18 0.11 -0.17 1.03 -2.12 0.00 0.00 175.29 174.32 1ul4 s ARG 93 N -2.89 1.41 0.14 2.91 1.81 0.99 -1.64 118.95 121.67 1ul4 s ARG 93 Ca 0.08 -1.58 -0.30 0.00 -1.72 0.00 0.00 55.73 52.21 1ul4 s ARG 93 Cb -0.03 -1.35 -0.07 0.00 -0.45 0.00 0.00 34.95 33.05 1ul4 s ARG 93 CO 0.01 0.25 1.14 0.12 -0.68 0.00 0.00 175.30 176.14 1ul4 s PHE 94 N -2.58 3.52 -0.36 -0.53 5.36 -1.26 -2.15 117.98 119.97 1ul4 s PHE 94 Ca 0.23 1.49 -0.02 0.00 -0.96 0.00 0.00 56.93 57.67 1ul4 s PHE 94 Cb -0.03 -3.34 0.09 0.00 -0.34 0.00 0.00 43.02 39.39 1ul4 s PHE 94 CO 0.09 -0.88 0.11 0.00 -1.46 0.00 0.00 175.22 173.08 1ul4 n GLN 96 N 4.57 0.19 -0.07 0.00 6.02 -1.26 0.15 117.38 126.97 1ul4 n GLN 96 Ca -0.06 0.49 -0.14 0.00 -0.01 0.00 0.00 57.00 57.28 1ul4 n GLN 96 Cb 0.42 -1.91 -0.03 0.00 1.02 0.00 0.00 30.24 29.74 1ul4 n GLN 96 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1ul4 h GLN 97 N 0.00 0.85 0.00 -1.09 4.20 -1.95 -3.34 115.11 113.79 1ul4 h GLN 97 Ca 0.00 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1ul4 h GLN 97 Cb 0.26 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1ul4 h GLN 97 CO 0.00 1.17 0.00 0.00 -0.67 0.00 0.00 178.83 179.33 1ul4 n SER 99 N -0.34 -0.64 -1.97 0.00 2.88 0.39 -4.95 113.62 108.98 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 0.00 -1.66 0.00 0.00 -0.75 0.00 0.00 64.21 61.80 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 -1.81 0.85 -4.55 -1.46 1.74 -1.21 -4.82 116.66 105.41 1ul4 n ARG 100 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1ul4 n ARG 100 Cb 0.04 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.33 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 0.66 2.80 0.17 -1.55 0.40 -1.26 -1.91 117.98 117.29 1ul4 s PHE 101 Ca 0.00 -0.91 0.10 0.00 -0.60 0.00 0.00 56.93 55.52 1ul4 s PHE 101 Cb 0.00 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 1ul4 s PHE 101 CO 0.00 -0.40 -0.22 -1.01 0.70 0.00 0.00 175.22 174.29 1ul4 s HIS 102 N 0.73 2.10 1.05 0.36 3.76 -0.91 -4.94 115.29 117.43 1ul4 s HIS 102 Ca -0.06 -0.40 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 1ul4 s HIS 102 Cb -0.15 -1.07 0.12 0.00 1.11 0.00 0.00 32.58 32.58 1ul4 s HIS 102 CO 0.01 0.40 0.45 -3.47 -0.85 0.00 0.00 174.74 171.28 1ul4 n ASP 103 N 0.46 -1.85 0.02 1.40 2.03 -1.26 -0.01 116.55 117.34 1ul4 n ASP 103 Ca -0.14 0.10 0.12 0.00 0.52 0.00 0.00 54.79 55.38 1ul4 n ASP 103 Cb 0.56 -1.16 0.49 0.00 -0.72 0.00 0.00 41.12 40.29 1ul4 n ASP 103 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1ul4 n LEU 104 N -2.38 0.16 -1.21 -2.67 7.94 -0.16 -3.07 117.00 115.62 1ul4 n LEU 104 Ca 0.05 0.52 0.04 0.00 -1.11 0.00 0.00 56.01 55.50 1ul4 n LEU 104 Cb 0.57 -0.48 0.21 0.00 0.53 0.00 0.00 43.42 44.24 1ul4 n LEU 104 CO 0.52 -0.14 0.57 0.00 -1.11 0.00 0.00 177.39 177.24 1ul4 n GLN 105 N -1.66 2.99 -1.14 1.96 6.02 -1.26 -3.85 117.38 120.45 1ul4 n GLN 105 Ca 0.05 -1.62 0.04 0.00 -0.01 0.00 0.00 57.00 55.47 1ul4 n GLN 105 Cb 0.30 -1.89 0.11 0.00 1.02 0.00 0.00 30.24 29.78 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 0.33 0.87 -3.55 -1.09 1.02 -1.17 -4.99 120.64 112.05 1ul4 n GLU 106 Ca 0.14 -2.69 -0.24 0.00 -0.02 0.00 0.00 57.16 54.35 1ul4 n GLU 106 Cb 0.73 -0.84 -0.15 0.00 -0.02 0.00 0.00 31.44 31.16 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 -1.68 0.05 1.01 -0.32 0.08 -1.25 -4.58 117.98 111.29 1ul4 s PHE 107 Ca 0.36 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 57.01 1ul4 s PHE 107 Cb 0.38 -0.63 0.20 0.00 -0.57 0.00 0.00 43.02 42.39 1ul4 s PHE 107 CO -0.12 -0.63 1.09 0.34 -0.10 0.00 0.00 175.22 175.80 1ul4 s ASP 108 N 2.20 2.24 0.00 1.36 -1.08 -1.26 -4.98 116.67 115.15 1ul4 s ASP 108 Ca 0.05 1.87 0.00 0.00 -0.52 0.00 0.00 52.55 53.95 1ul4 s ASP 108 Cb -0.16 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1ul4 s ASP 108 CO -0.18 -3.47 0.80 -0.62 0.52 0.00 0.00 175.17 172.23 1ul4 n GLU 109 N -4.46 0.00 -0.35 4.34 1.02 -1.26 -3.57 120.64 116.36 1ul4 n GLU 109 Ca 0.08 0.46 0.04 0.00 -0.02 0.00 0.00 57.16 57.71 1ul4 n GLU 109 Cb 0.53 -1.38 0.19 0.00 -0.02 0.00 0.00 31.44 30.76 1ul4 n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ul4 h ALA 110 N -2.00 1.38 -2.45 0.62 0.00 -2.05 -3.42 119.26 111.33 1ul4 h ALA 110 Ca 0.00 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1ul4 h ALA 110 Cb 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 17.79 17.62 1ul4 h ALA 110 CO 0.00 0.33 0.35 0.15 0.00 0.00 0.00 179.25 180.08 1ul4 s LYS 111 N -6.02 2.61 -0.32 0.00 1.02 -1.23 -5.03 119.74 110.77 1ul4 s LYS 111 Ca -0.12 0.23 0.17 0.00 0.02 0.00 0.00 55.97 56.26 1ul4 s LYS 111 Cb 0.20 -2.07 0.45 0.00 -0.52 0.00 0.00 37.83 35.90 1ul4 s LYS 111 CO 0.81 -1.11 1.26 0.54 -0.92 0.00 0.00 175.35 175.92 1ul4 n ARG 112 N -2.98 1.43 -3.98 1.68 1.74 -1.26 -4.27 116.66 109.02 1ul4 n ARG 112 Ca 0.07 -2.48 -0.13 0.00 -0.77 0.00 0.00 57.85 54.54 1ul4 n ARG 112 Cb 0.58 -0.66 -0.01 0.00 -1.02 0.00 0.00 32.46 31.35 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 -2.44 0.69 1.13 0.55 0.01 -1.26 -4.85 113.70 107.53 1ul4 s SER 113 Ca 0.21 -1.43 -0.09 0.00 1.31 0.00 0.00 55.95 55.94 1ul4 s SER 113 Cb 0.40 0.76 0.14 0.00 0.21 0.00 0.00 66.02 67.53 1ul4 s SER 113 CO -0.06 -1.49 0.33 0.00 0.41 0.00 0.00 173.24 172.42 1ul4 n ARG 115 N -3.24 0.05 -0.00 0.00 1.85 -1.26 -4.57 116.66 109.49 1ul4 n ARG 115 Ca 0.05 -0.81 -0.16 0.00 -1.00 0.00 0.00 57.85 55.94 1ul4 n ARG 115 Cb 0.23 -0.52 -0.14 0.00 -1.05 0.00 0.00 32.46 30.98 1ul4 n ARG 115 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1ul4 n ARG 116 N -0.02 0.71 -0.05 2.89 0.00 -1.26 -3.82 116.66 115.10 1ul4 n ARG 116 Ca 0.00 0.28 -0.06 0.00 -0.00 0.00 0.00 57.85 58.08 1ul4 n ARG 116 Cb 0.61 -1.75 -0.06 0.00 0.00 0.00 0.00 32.46 31.25 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 -3.30 1.72 -0.04 -0.14 0.00 -1.26 -4.68 116.66 108.97 1ul4 n ARG 117 Ca -0.25 0.02 -0.12 0.00 -0.00 0.00 0.00 57.85 57.49 1ul4 n ARG 117 Cb 1.05 -1.22 -0.07 0.00 0.00 0.00 0.00 32.46 32.21 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 0.21 -8.38 6.15 5.85 -1.80 -3.39 115.31 113.95 1ul4 h LEU 118 Ca -0.24 -0.40 -0.58 0.00 0.84 0.00 0.00 57.88 57.51 1ul4 h LEU 118 Cb 1.48 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.35 1ul4 h LEU 118 CO -0.01 0.56 0.84 0.00 -0.34 0.00 0.00 178.44 179.50 1ul4 s ALA 119 N -4.63 2.94 0.14 1.25 0.00 -1.25 -5.01 121.76 115.20 1ul4 s ALA 119 Ca -0.15 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.11 1ul4 s ALA 119 Cb 0.04 -4.05 -0.07 0.00 0.00 0.00 0.00 23.12 19.05 1ul4 s ALA 119 CO 0.71 -2.95 1.06 0.20 0.00 0.00 0.00 175.76 174.79 1ul4 s GLY 120 N 3.50 2.86 -0.52 0.00 0.00 -1.26 -4.75 107.32 107.15 1ul4 s GLY 120 Ca 0.32 0.73 0.02 0.00 0.00 0.00 0.00 44.72 45.79 1ul4 s GLY 120 CO 0.16 1.63 1.85 1.42 0.00 0.00 0.00 173.10 178.15 1ul4 n HIS 121 N 2.70 2.89 -3.95 1.90 8.25 -1.26 -4.97 115.22 120.78 1ul4 n HIS 121 Ca 0.03 -2.44 -0.34 0.00 -0.26 0.00 0.00 57.72 54.71 1ul4 n HIS 121 Cb 0.47 -1.08 -0.06 0.00 1.12 0.00 0.00 29.99 30.45 1ul4 n HIS 121 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1ul4 s ASN 122 N -1.95 6.22 0.56 0.41 -0.87 -1.26 -5.11 114.94 112.95 1ul4 s ASN 122 Ca 0.59 0.33 -0.07 0.00 -1.57 0.00 0.00 52.86 52.14 1ul4 s ASN 122 Cb 0.48 -1.93 -0.02 0.00 -0.02 0.00 0.00 41.25 39.76 1ul4 s ASN 122 CO 0.03 0.30 0.89 -0.70 -2.57 0.00 0.00 177.10 175.05 1ul4 s GLU 123 N -1.69 3.30 -0.20 -0.60 2.56 -1.26 -5.03 118.70 115.77 1ul4 s GLU 123 Ca 0.24 0.26 -0.28 0.00 0.00 0.00 0.00 54.97 55.18 1ul4 s GLU 123 Cb -0.12 -2.26 0.00 0.00 2.00 0.00 0.00 34.13 33.75 1ul4 s GLU 123 CO 0.14 -0.50 0.99 0.50 -0.56 0.00 0.00 175.26 175.83 1ul4 s ARG 124 N -4.95 4.28 0.00 4.30 3.00 -1.26 -5.04 118.95 119.28 1ul4 s ARG 124 Ca 0.52 1.29 0.00 0.00 -1.00 0.00 0.00 55.73 56.53 1ul4 s ARG 124 Cb -0.11 -3.62 0.00 0.00 0.00 0.00 0.00 34.95 31.23 1ul4 s ARG 124 CO 0.47 -0.54 0.00 -2.13 0.00 0.00 0.00 175.30 173.11 1ul4 n ARG 125 N 5.96 -0.45 0.00 5.12 0.63 -1.26 -5.07 116.66 121.59 1ul4 n ARG 125 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1ul4 n ARG 125 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 1ul4 n ARG 125 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ul4 n ARG 126 N -1.18 0.00 -3.20 -0.14 0.63 -1.26 -5.13 116.66 106.38 1ul4 n ARG 126 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 1ul4 n ARG 126 Cb 0.00 -0.30 -0.03 0.00 0.45 0.00 0.00 32.46 32.57 1ul4 n ARG 126 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1ul4 n LYS 127 N -2.28 0.35 0.01 -0.14 5.02 -1.26 -5.12 118.16 114.74 1ul4 n LYS 127 Ca 0.00 -1.88 -0.01 0.00 -2.02 0.00 0.00 58.31 54.41 1ul4 n LYS 127 Cb 0.00 1.68 -0.00 0.00 -0.02 0.00 0.00 35.03 36.68 1ul4 n LYS 127 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ul4 n SER 128 N -1.99 0.44 -0.06 4.39 2.88 -1.26 -4.99 113.62 113.03 1ul4 n SER 128 Ca 0.02 0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.49 1ul4 n SER 128 Cb 0.37 -0.22 -0.04 0.00 -0.75 0.00 0.00 64.21 63.56 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 -2.91 1.10 0.00 -3.46 2.88 -1.26 -5.06 113.62 104.90 1ul4 n SER 129 Ca -0.01 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1ul4 n SER 129 Cb 0.04 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 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 2.18 1.79 0.50 0.46 0.00 -1.26 -5.30 105.19 103.56 1ul4 n GLY 130 Ca -0.24 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.78 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50