#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 4.02 -0.04 3.23 1.81 -1.26 -4.32 118.95 122.39 1ul4 s ARG 52 Ca 0.00 -3.00 0.06 0.00 -1.72 0.00 0.00 55.73 51.07 1ul4 s ARG 52 Cb 0.00 -4.51 0.09 0.00 -0.45 0.00 0.00 34.95 30.08 1ul4 s ARG 52 CO 0.00 -1.26 1.05 1.28 -0.68 0.00 0.00 175.30 175.69 1ul4 n LEU 53 N 3.06 0.70 -4.67 2.53 4.77 -1.26 -5.06 117.00 117.07 1ul4 n LEU 53 Ca 0.21 -1.62 -0.43 0.00 -0.03 0.00 0.00 56.01 54.14 1ul4 n LEU 53 Cb 0.41 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1ul4 n LEU 53 CO 0.43 0.39 0.92 0.00 -1.33 0.00 0.00 177.39 177.79 1ul4 h GLN 55 N 7.49 0.07 -6.31 0.00 3.07 -1.95 -3.42 115.11 114.07 1ul4 h GLN 55 Ca -0.25 -0.00 -0.54 0.00 0.09 0.00 0.00 58.65 57.94 1ul4 h GLN 55 Cb 1.10 -0.02 0.01 0.00 0.08 0.00 0.00 27.48 28.65 1ul4 h GLN 55 CO 0.93 0.05 1.15 0.08 0.09 0.00 0.00 178.83 181.13 1ul4 s VAL 56 N -5.12 3.30 0.67 1.86 1.01 -1.26 -4.98 120.40 115.88 1ul4 s VAL 56 Ca -0.05 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1ul4 s VAL 56 Cb 0.17 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1ul4 s VAL 56 CO 0.68 -0.03 1.05 -1.81 0.00 0.00 0.00 175.10 174.99 1ul4 s ASP 57 N 3.81 5.63 -1.91 3.32 1.11 -1.26 -3.62 116.67 123.75 1ul4 s ASP 57 Ca 0.80 1.56 0.00 0.00 0.18 0.00 0.00 52.55 55.10 1ul4 s ASP 57 Cb -0.38 -2.49 0.00 0.00 1.07 0.00 0.00 42.92 41.12 1ul4 s ASP 57 CO 0.35 -1.28 0.00 0.54 1.18 0.00 0.00 175.17 175.96 1ul4 n ARG 58 N -3.01 -1.38 -2.61 8.23 3.00 -1.26 -4.90 116.66 114.73 1ul4 n ARG 58 Ca 0.07 1.10 -0.42 0.00 -0.01 0.00 0.00 57.85 58.59 1ul4 n ARG 58 Cb 0.54 -5.48 -0.03 0.00 0.00 0.00 0.00 32.46 27.49 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 4.06 2.13 -1.54 0.00 -2.24 -1.26 -5.03 114.28 110.40 1ul4 n THR 60 Ca 0.08 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.19 1ul4 n THR 60 Cb 0.49 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1ul4 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ul4 n ALA 61 N -1.19 0.00 -2.46 6.98 0.00 -1.26 -5.13 120.51 117.45 1ul4 n ALA 61 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1ul4 n ALA 61 Cb 0.73 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.08 1ul4 n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ul4 s ASP 62 N -1.00 0.48 -0.04 0.00 -1.08 -1.26 -5.05 116.67 108.72 1ul4 s ASP 62 Ca 0.00 -0.80 0.10 0.00 -0.52 0.00 0.00 52.55 51.34 1ul4 s ASP 62 Cb 0.00 0.15 0.19 0.00 -1.46 0.00 0.00 42.92 41.80 1ul4 s ASP 62 CO 0.00 -0.46 1.10 0.23 0.52 0.00 0.00 175.17 176.56 1ul4 n MET 63 N 0.70 0.18 0.06 4.34 2.81 -1.26 -4.93 117.12 119.03 1ul4 n MET 63 Ca -0.18 -1.45 -0.14 0.00 -1.81 0.00 0.00 57.70 54.13 1ul4 n MET 63 Cb 0.58 0.24 -0.04 0.00 -0.71 0.00 0.00 33.22 33.29 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 0.51 0.43 -0.94 0.03 3.11 -1.97 -3.19 116.57 114.55 1ul4 h LYS 64 Ca -0.43 -0.45 -0.58 0.00 -2.81 0.00 0.00 60.65 56.38 1ul4 h LYS 64 Cb 1.55 0.13 -0.41 0.00 -1.00 0.00 0.00 32.23 32.50 1ul4 h LYS 64 CO -0.14 1.11 -0.54 0.39 -2.81 0.00 0.00 179.45 177.46 1ul4 n GLU 65 N -3.76 3.45 -0.79 1.90 -0.58 -1.26 -4.80 120.64 114.80 1ul4 n GLU 65 Ca -0.07 -4.10 -0.10 0.00 -0.42 0.00 0.00 57.16 52.47 1ul4 n GLU 65 Cb 0.83 -2.28 0.07 0.00 -0.57 0.00 0.00 31.44 29.49 1ul4 n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ul4 n ALA 66 N -0.69 -0.45 -2.02 0.62 0.00 -1.25 -5.10 120.51 111.61 1ul4 n ALA 66 Ca 0.46 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 1ul4 n ALA 66 Cb 0.86 -0.01 0.08 0.00 0.00 0.00 0.00 19.45 20.38 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 -3.94 2.05 0.40 0.00 2.47 -1.26 -4.96 119.74 114.50 1ul4 s LYS 67 Ca 0.27 -1.52 0.22 0.00 -1.56 0.00 0.00 55.97 53.38 1ul4 s LYS 67 Cb -0.01 -2.54 0.58 0.00 -1.46 0.00 0.00 37.83 34.40 1ul4 s LYS 67 CO 0.19 -1.10 1.68 -0.07 0.16 0.00 0.00 175.35 176.21 1ul4 h LEU 68 N -0.08 0.00 0.15 5.43 -0.00 -1.99 -2.04 115.31 116.78 1ul4 h LEU 68 Ca -0.31 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.28 1ul4 h LEU 68 Cb 1.28 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.95 1ul4 h LEU 68 CO 0.40 0.23 -1.29 0.22 -0.00 0.00 0.00 178.44 178.00 1ul4 h TYR 69 N 0.00 0.59 0.00 1.13 5.03 -1.99 -2.43 116.97 119.29 1ul4 h TYR 69 Ca -0.00 -0.43 -0.15 0.00 2.58 0.00 0.00 58.73 60.73 1ul4 h TYR 69 Cb 0.97 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.21 1ul4 h TYR 69 CO 0.00 1.33 -0.74 0.45 -1.32 0.00 0.00 178.16 177.89 1ul4 h HIS 70 N 0.09 0.00 0.08 -3.82 3.86 -1.84 -3.11 115.15 110.41 1ul4 h HIS 70 Ca -0.16 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.80 1ul4 h HIS 70 Cb 2.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.47 1ul4 h HIS 70 CO 0.08 0.69 -1.16 0.00 0.86 0.00 0.00 177.93 178.40 1ul4 h ARG 71 N 0.00 0.18 -0.40 2.45 3.08 -1.44 -0.93 114.38 117.32 1ul4 h ARG 71 Ca -0.02 -0.31 -0.11 0.00 0.07 0.00 0.00 59.98 59.62 1ul4 h ARG 71 Cb 1.54 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.69 1ul4 h ARG 71 CO 0.09 1.15 -0.19 -0.09 -1.07 0.00 0.00 179.97 179.86 1ul4 h ARG 72 N 0.05 0.83 0.00 0.04 2.43 -1.50 -3.03 114.38 113.21 1ul4 h ARG 72 Ca -0.09 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1ul4 h ARG 72 Cb 1.90 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 1ul4 h ARG 72 CO 0.18 1.00 -0.48 0.45 -1.51 0.00 0.00 179.97 179.60 1ul4 h HIS 73 N 0.64 0.00 -5.33 2.20 3.86 -1.63 -3.48 115.15 111.41 1ul4 h HIS 73 Ca 0.09 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.02 1ul4 h HIS 73 Cb 0.74 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.38 1ul4 h HIS 73 CO 0.06 0.00 -0.74 1.63 0.86 0.00 0.00 177.93 179.73 1ul4 n LYS 74 N -2.29 -4.56 -3.82 2.45 4.01 -0.41 -4.99 118.16 108.55 1ul4 n LYS 74 Ca 0.03 0.79 -0.12 0.00 -0.51 0.00 0.00 58.31 58.50 1ul4 n LYS 74 Cb 0.46 -5.57 -0.13 0.00 -0.51 0.00 0.00 35.03 29.28 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 -3.34 -0.00 0.53 -0.18 0.11 -0.82 -4.11 120.40 112.58 1ul4 s VAL 75 Ca 0.16 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 59.04 1ul4 s VAL 75 Cb -0.02 -0.22 -0.07 0.00 -1.53 0.00 0.00 36.38 34.55 1ul4 s VAL 75 CO 0.68 0.00 1.06 0.00 -3.33 0.00 0.00 175.10 173.51 1ul4 h GLU 77 N 1.16 1.17 -0.08 0.00 4.81 -1.96 0.30 114.58 119.98 1ul4 h GLU 77 Ca -0.49 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.45 1ul4 h GLU 77 Cb 1.23 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1ul4 h GLU 77 CO 0.58 0.94 -0.36 0.28 -0.73 0.00 0.00 179.01 179.72 1ul4 h VAL 78 N 1.15 1.28 0.00 0.32 2.07 -1.94 -2.60 116.25 116.52 1ul4 h VAL 78 Ca 0.26 -1.36 -0.18 0.00 0.82 0.00 0.00 66.70 66.25 1ul4 h VAL 78 Cb 0.20 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1ul4 h VAL 78 CO -0.02 0.40 -1.01 0.45 0.02 0.00 0.00 177.57 177.41 1ul4 h HIS 79 N 0.14 0.00 0.14 1.57 3.86 -1.79 -2.94 115.15 116.12 1ul4 h HIS 79 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1ul4 h HIS 79 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1ul4 h HIS 79 CO 0.01 0.77 -0.07 0.00 0.86 0.00 0.00 177.93 179.50 1ul4 h ALA 80 N 1.23 -0.18 -0.97 2.45 0.00 -0.17 -3.20 119.26 118.42 1ul4 h ALA 80 Ca -0.07 -0.18 -0.60 0.00 0.00 0.00 0.00 54.91 54.05 1ul4 h ALA 80 Cb 1.65 0.07 -0.30 0.00 0.00 0.00 0.00 17.79 19.22 1ul4 h ALA 80 CO 0.09 -0.42 0.70 1.17 0.00 0.00 0.00 179.25 180.79 1ul4 n LYS 81 N -5.01 2.55 -2.10 0.00 0.00 -1.00 -4.67 118.16 107.93 1ul4 n LYS 81 Ca -0.09 -3.23 -0.28 0.00 0.00 0.00 0.00 58.31 54.71 1ul4 n LYS 81 Cb 0.22 -2.24 0.04 0.00 0.00 0.00 0.00 35.03 33.06 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 -3.62 3.05 -0.05 3.14 0.00 -1.11 -5.00 121.76 118.17 1ul4 s ALA 82 Ca 0.61 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 1ul4 s ALA 82 Cb 0.49 -2.83 -0.26 0.00 0.00 0.00 0.00 23.12 20.52 1ul4 s ALA 82 CO 0.03 -1.05 0.64 0.77 0.00 0.00 0.00 175.76 176.15 1ul4 h SER 83 N -0.49 0.31 -0.44 0.00 0.02 -1.91 -3.47 113.55 107.57 1ul4 h SER 83 Ca -0.45 -0.56 0.19 0.00 -0.84 0.00 0.00 61.79 60.13 1ul4 h SER 83 Cb 1.26 -0.10 -0.20 0.00 0.14 0.00 0.00 62.40 63.50 1ul4 h SER 83 CO 0.63 1.49 -0.02 -0.94 -1.14 0.00 0.00 176.83 176.85 1ul4 s SER 84 N -6.79 -0.66 0.44 3.07 1.04 -1.26 -4.94 113.70 104.59 1ul4 s SER 84 Ca -0.13 0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 1ul4 s SER 84 Cb 0.07 1.48 -0.05 0.00 0.10 0.00 0.00 66.02 67.62 1ul4 s SER 84 CO 0.82 -0.12 0.76 -0.69 0.98 0.00 0.00 173.24 174.99 1ul4 s VAL 85 N 2.93 4.87 -0.21 5.02 1.01 -0.92 -4.89 120.40 128.22 1ul4 s VAL 85 Ca 0.13 0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 1ul4 s VAL 85 Cb -0.07 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1ul4 s VAL 85 CO -0.18 -0.69 0.31 0.12 0.00 0.00 0.00 175.10 174.66 1ul4 s PHE 86 N -2.56 3.36 -0.19 5.22 5.36 -1.26 -2.18 117.98 125.73 1ul4 s PHE 86 Ca 0.48 0.49 -0.05 0.00 -0.96 0.00 0.00 56.93 56.90 1ul4 s PHE 86 Cb -0.10 -2.43 0.07 0.00 -0.34 0.00 0.00 43.02 40.21 1ul4 s PHE 86 CO 0.39 0.03 0.11 -0.51 -1.46 0.00 0.00 175.22 173.78 1ul4 s LEU 87 N 1.17 0.30 -1.40 6.12 1.02 -0.16 -4.38 118.68 121.35 1ul4 s LEU 87 Ca 0.15 -0.62 -0.09 0.00 0.02 0.00 0.00 54.13 53.59 1ul4 s LEU 87 Cb -0.14 -0.17 0.01 0.00 0.02 0.00 0.00 46.19 45.91 1ul4 s LEU 87 CO 0.06 -0.36 1.09 -1.20 0.02 0.00 0.00 176.35 175.97 1ul4 n SER 88 N 5.28 -6.29 -1.44 2.29 7.64 -1.26 -1.54 113.62 118.31 1ul4 n SER 88 Ca -0.07 -0.52 -0.14 0.00 1.01 0.00 0.00 58.87 59.16 1ul4 n SER 88 Cb 0.48 -4.96 -0.02 0.00 -1.01 0.00 0.00 64.21 58.70 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 -1.93 0.27 3.02 0.23 0.00 -1.26 -5.00 105.19 100.52 1ul4 n GLY 89 Ca -0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.76 2.22 -0.08 0.99 2.96 -0.59 -5.13 118.68 115.29 1ul4 s LEU 90 Ca 0.00 -0.48 -0.28 0.00 -0.22 0.00 0.00 54.13 53.15 1ul4 s LEU 90 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.59 1ul4 s LEU 90 CO 0.00 -0.21 0.90 0.20 -1.32 0.00 0.00 176.35 175.93 1ul4 s ASN 91 N -1.38 7.17 0.16 3.68 0.01 -1.26 -0.99 114.94 122.32 1ul4 s ASN 91 Ca -0.11 1.42 0.01 0.00 -0.71 0.00 0.00 52.86 53.48 1ul4 s ASN 91 Cb -0.09 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1ul4 s ASN 91 CO -0.00 -0.33 0.02 -1.10 -1.51 0.00 0.00 177.10 174.18 1ul4 s GLN 92 N 1.55 1.05 0.10 -0.60 -0.21 -0.93 -2.53 119.66 118.10 1ul4 s GLN 92 Ca 0.45 -1.50 0.04 0.00 0.02 0.00 0.00 55.36 54.36 1ul4 s GLN 92 Cb -0.19 -0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.67 1ul4 s GLN 92 CO 0.19 -0.16 -0.10 0.50 -2.12 0.00 0.00 175.29 173.60 1ul4 s ARG 93 N -3.95 0.86 -0.12 2.91 6.06 -0.86 -2.17 118.95 121.67 1ul4 s ARG 93 Ca 0.24 -1.19 -0.28 0.00 -2.50 0.00 0.00 55.73 52.00 1ul4 s ARG 93 Cb 0.06 -0.50 -0.01 0.00 0.06 0.00 0.00 34.95 34.56 1ul4 s ARG 93 CO 0.03 0.07 0.93 0.12 -2.50 0.00 0.00 175.30 173.95 1ul4 s PHE 94 N -2.60 3.49 -0.60 5.12 5.36 -1.26 -1.00 117.98 126.47 1ul4 s PHE 94 Ca 0.07 1.46 -0.11 0.00 -0.96 0.00 0.00 56.93 57.38 1ul4 s PHE 94 Cb -0.02 -3.11 0.15 0.00 -0.34 0.00 0.00 43.02 39.71 1ul4 s PHE 94 CO -0.00 -0.21 0.51 0.00 -1.46 0.00 0.00 175.22 174.06 1ul4 h GLN 96 N 8.21 0.00 -0.79 0.00 4.15 -1.89 0.99 115.11 125.78 1ul4 h GLN 96 Ca -0.12 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.32 1ul4 h GLN 96 Cb 1.06 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.70 1ul4 h GLN 96 CO 0.86 0.00 0.51 1.96 -1.93 0.00 0.00 178.83 180.23 1ul4 h GLN 97 N 0.00 0.97 -0.22 1.69 1.08 -1.90 -2.81 115.11 113.92 1ul4 h GLN 97 Ca 0.04 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1ul4 h GLN 97 Cb 0.22 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1ul4 h GLN 97 CO -0.00 0.64 0.00 0.00 -0.95 0.00 0.00 178.83 178.52 1ul4 n SER 99 N -0.43 -2.60 -3.73 0.00 2.88 0.26 -4.87 113.62 105.13 1ul4 n SER 99 Ca 0.17 0.24 -0.22 0.00 -1.33 0.00 0.00 58.87 57.73 1ul4 n SER 99 Cb 0.70 -2.56 -0.08 0.00 -0.75 0.00 0.00 64.21 61.52 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 -2.89 1.80 0.34 -1.46 1.70 -0.92 -4.95 118.95 112.58 1ul4 s ARG 100 Ca 0.00 -2.07 0.01 0.00 -0.47 0.00 0.00 55.73 53.20 1ul4 s ARG 100 Cb 0.00 -0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.27 1ul4 s ARG 100 CO 0.00 -0.56 0.54 -0.06 -1.08 0.00 0.00 175.30 174.14 1ul4 s PHE 101 N -3.38 3.48 0.33 5.89 0.40 -1.26 0.12 117.98 123.55 1ul4 s PHE 101 Ca 0.33 0.31 0.03 0.00 -0.60 0.00 0.00 56.93 57.00 1ul4 s PHE 101 Cb 0.03 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 1ul4 s PHE 101 CO 0.21 0.12 0.37 -1.01 0.70 0.00 0.00 175.22 175.61 1ul4 s HIS 102 N -2.30 1.43 0.33 0.36 3.76 -0.17 -4.82 115.29 113.88 1ul4 s HIS 102 Ca 0.40 -1.49 -0.28 0.00 -0.15 0.00 0.00 55.06 53.54 1ul4 s HIS 102 Cb -0.10 -0.42 -0.09 0.00 1.11 0.00 0.00 32.58 33.08 1ul4 s HIS 102 CO 0.36 -0.99 1.16 0.34 -0.85 0.00 0.00 174.74 174.75 1ul4 s ASP 103 N -3.31 6.92 0.43 1.40 -1.08 -1.26 -2.02 116.67 117.75 1ul4 s ASP 103 Ca 0.36 2.36 0.10 0.00 -0.52 0.00 0.00 52.55 54.84 1ul4 s ASP 103 Cb 0.01 -2.62 0.95 0.00 -1.46 0.00 0.00 42.92 39.80 1ul4 s ASP 103 CO 0.24 -0.39 2.05 0.25 0.52 0.00 0.00 175.17 177.84 1ul4 h LEU 104 N 3.30 0.39 -2.30 -1.34 5.85 -1.81 -0.36 115.31 119.03 1ul4 h LEU 104 Ca -0.48 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1ul4 h LEU 104 Cb 1.22 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1ul4 h LEU 104 CO 0.65 0.27 -0.05 1.56 -0.34 0.00 0.00 178.44 180.54 1ul4 h GLN 105 N 0.46 0.00 0.00 1.25 1.08 -1.91 -0.50 115.11 115.48 1ul4 h GLN 105 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1ul4 h GLN 105 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1ul4 h GLN 105 CO -0.04 0.05 0.00 0.93 -0.95 0.00 0.00 178.83 178.82 1ul4 h GLU 106 N 0.00 0.00 -1.14 1.46 5.08 -1.43 -3.26 114.58 115.29 1ul4 h GLU 106 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1ul4 h GLU 106 Cb 0.14 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.16 1ul4 h GLU 106 CO 0.01 0.00 0.65 1.19 -1.00 0.00 0.00 179.01 179.86 1ul4 n PHE 107 N -2.56 2.56 -3.14 4.33 3.01 -0.20 -4.78 117.46 116.68 1ul4 n PHE 107 Ca 0.05 -2.32 -0.19 0.00 1.01 0.00 0.00 57.45 56.00 1ul4 n PHE 107 Cb 0.46 -1.13 0.01 0.00 -0.01 0.00 0.00 39.48 38.81 1ul4 n PHE 107 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1ul4 s ASP 108 N -1.00 5.76 0.55 4.37 2.15 -1.23 -4.80 116.67 122.46 1ul4 s ASP 108 Ca 0.50 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.30 1ul4 s ASP 108 Cb 0.40 -1.03 0.00 0.00 -0.30 0.00 0.00 42.92 41.99 1ul4 s ASP 108 CO 0.02 -0.67 0.00 -0.62 -0.17 0.00 0.00 175.17 173.73 1ul4 n GLU 109 N -1.86 -1.93 -0.10 4.34 4.71 -1.26 -3.51 120.64 121.03 1ul4 n GLU 109 Ca 0.04 1.27 0.24 0.00 -0.01 0.00 0.00 57.16 58.70 1ul4 n GLU 109 Cb 0.59 -2.35 0.70 0.00 -1.01 0.00 0.00 31.44 29.37 1ul4 n GLU 109 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ul4 h ALA 110 N -1.22 2.67 -1.61 0.62 0.00 -2.01 -3.38 119.26 114.34 1ul4 h ALA 110 Ca 0.02 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 1ul4 h ALA 110 Cb 0.87 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1ul4 h ALA 110 CO 0.01 -0.88 1.38 0.15 0.00 0.00 0.00 179.25 179.91 1ul4 s LYS 111 N -5.01 2.72 -0.44 0.00 1.02 -1.23 -4.83 119.74 111.97 1ul4 s LYS 111 Ca -0.05 0.96 0.04 0.00 0.02 0.00 0.00 55.97 56.94 1ul4 s LYS 111 Cb 0.21 -4.37 0.44 0.00 -0.52 0.00 0.00 37.83 33.59 1ul4 s LYS 111 CO 0.75 -2.60 1.43 -2.13 -0.92 0.00 0.00 175.35 171.88 1ul4 n ARG 112 N 8.97 3.32 0.00 1.68 0.63 -1.26 -3.80 116.66 126.19 1ul4 n ARG 112 Ca 0.24 -3.99 0.00 0.00 -0.92 0.00 0.00 57.85 53.18 1ul4 n ARG 112 Cb 0.51 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1ul4 n ARG 112 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1ul4 n SER 113 N -0.70 0.00 -3.60 6.15 7.64 -1.26 -4.99 113.62 116.85 1ul4 n SER 113 Ca 0.48 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 60.32 1ul4 n SER 113 Cb 0.79 0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 64.00 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 -0.53 1.25 -0.01 0.00 1.74 -1.26 -4.25 116.66 113.60 1ul4 n ARG 115 Ca -0.05 -2.61 -0.01 0.00 -0.77 0.00 0.00 57.85 54.40 1ul4 n ARG 115 Cb 0.60 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1ul4 n ARG 115 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1ul4 h ARG 116 N 0.20 0.00 0.00 5.56 9.65 -1.96 -3.42 114.38 124.40 1ul4 h ARG 116 Ca -0.00 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.69 1ul4 h ARG 116 Cb 1.04 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.58 1ul4 h ARG 116 CO 0.00 0.00 -1.85 0.54 2.80 0.00 0.00 179.97 181.47 1ul4 n ARG 117 N -2.66 1.56 -0.35 0.20 1.74 -1.26 -4.53 116.66 111.37 1ul4 n ARG 117 Ca -0.01 -0.03 0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1ul4 n ARG 117 Cb 0.04 -1.34 0.17 0.00 -1.02 0.00 0.00 32.46 30.32 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 0.96 -9.28 0.55 7.12 -1.87 -3.38 115.31 109.42 1ul4 h LEU 118 Ca -0.28 0.02 -0.54 0.00 0.13 0.00 0.00 57.88 57.20 1ul4 h LEU 118 Cb 1.57 -0.19 0.01 0.00 -0.53 0.00 0.00 40.66 41.52 1ul4 h LEU 118 CO 0.02 0.60 1.23 0.00 -0.13 0.00 0.00 178.44 180.16 1ul4 s ALA 119 N -6.04 3.47 0.00 1.25 0.00 -1.26 -2.44 121.76 116.74 1ul4 s ALA 119 Ca -0.12 1.14 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1ul4 s ALA 119 Cb 0.20 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1ul4 s ALA 119 CO 0.81 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1ul4 n GLY 120 N 4.62 3.16 5.10 0.00 0.00 -1.26 -4.94 105.19 111.87 1ul4 n GLY 120 Ca 0.21 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1ul4 n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ul4 n HIS 121 N 0.00 0.00 0.00 1.61 8.25 -1.02 -4.81 115.22 119.25 1ul4 n HIS 121 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ul4 n HIS 121 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ul4 n HIS 121 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1ul4 n ASN 122 N 1.70 0.00 -4.67 0.41 2.85 -1.26 -4.80 115.26 109.49 1ul4 n ASN 122 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 1ul4 n ASN 122 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 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 0.00 4.22 -0.04 1.20 2.12 -1.26 -4.93 118.70 120.01 1ul4 s GLU 123 Ca 0.00 1.96 -0.02 0.00 0.36 0.00 0.00 54.97 57.27 1ul4 s GLU 123 Cb 0.00 -3.81 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 1ul4 s GLU 123 CO 0.00 -0.73 -0.05 -0.09 -0.54 0.00 0.00 175.26 173.85 1ul4 h ARG 124 N 8.67 0.00 0.00 4.30 9.65 -2.00 -3.47 114.38 131.53 1ul4 h ARG 124 Ca -0.35 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.42 1ul4 h ARG 124 Cb 1.15 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.63 1ul4 h ARG 124 CO 0.95 0.00 -0.23 -2.13 2.80 0.00 0.00 179.97 181.36 1ul4 n ARG 125 N -2.95 0.24 -2.50 0.20 0.63 -1.26 -5.10 116.66 105.92 1ul4 n ARG 125 Ca -0.02 -0.83 -0.03 0.00 -0.92 0.00 0.00 57.85 56.05 1ul4 n ARG 125 Cb 0.07 0.47 -0.03 0.00 0.45 0.00 0.00 32.46 33.42 1ul4 n ARG 125 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ul4 n ARG 126 N -0.27 -4.95 0.05 -0.14 1.74 -1.26 -5.04 116.66 106.79 1ul4 n ARG 126 Ca -0.20 3.65 0.00 0.00 -0.77 0.00 0.00 57.85 60.53 1ul4 n ARG 126 Cb 0.65 -4.98 0.00 0.00 -1.02 0.00 0.00 32.46 27.11 1ul4 n ARG 126 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ul4 n LYS 127 N 1.79 0.00 -3.11 5.56 3.00 -1.26 -5.10 118.16 119.04 1ul4 n LYS 127 Ca -0.24 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.68 1ul4 n LYS 127 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.35 1ul4 n LYS 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ul4 s SER 128 N -4.42 7.11 -0.18 3.14 0.15 -1.26 -4.97 113.70 113.27 1ul4 s SER 128 Ca 0.00 1.32 -0.07 0.00 0.70 0.00 0.00 55.95 57.91 1ul4 s SER 128 Cb 0.00 -2.41 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1ul4 s SER 128 CO 0.00 0.10 -0.21 -1.20 1.20 0.00 0.00 173.24 173.13 1ul4 n SER 129 N 2.54 1.59 0.00 5.45 7.64 -1.26 -5.02 113.62 124.56 1ul4 n SER 129 Ca -0.06 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1ul4 n SER 129 Cb 0.50 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 2.07 2.13 3.97 0.23 0.00 -1.26 -5.30 105.19 107.02 1ul4 n GLY 130 Ca -0.34 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50