#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 3.96 -0.04 3.23 0.52 -1.26 -3.74 118.95 121.62 1ul4 s ARG 52 Ca 0.00 -2.12 0.16 0.00 -0.52 0.00 0.00 55.73 53.24 1ul4 s ARG 52 Cb 0.00 -5.29 -0.24 0.00 0.52 0.00 0.00 34.95 29.94 1ul4 s ARG 52 CO 0.00 -2.03 0.30 1.28 0.02 0.00 0.00 175.30 174.87 1ul4 n LEU 53 N 7.24 0.00 -4.64 2.53 4.77 -1.26 -5.00 117.00 120.64 1ul4 n LEU 53 Ca 0.41 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.96 1ul4 n LEU 53 Cb 0.45 0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ul4 n LEU 53 CO 0.68 0.06 0.72 0.00 -1.33 0.00 0.00 177.39 177.52 1ul4 h GLN 55 N 2.08 0.20 -6.94 0.00 3.07 -1.24 -3.45 115.11 108.83 1ul4 h GLN 55 Ca -0.44 -0.24 -0.53 0.00 0.09 0.00 0.00 58.65 57.54 1ul4 h GLN 55 Cb 1.32 0.07 0.08 0.00 0.08 0.00 0.00 27.48 29.03 1ul4 h GLN 55 CO 0.60 0.99 0.62 0.08 0.09 0.00 0.00 178.83 181.21 1ul4 s VAL 56 N -3.13 2.61 0.51 1.86 1.01 -1.26 -5.02 120.40 116.97 1ul4 s VAL 56 Ca -0.03 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 1ul4 s VAL 56 Cb 0.10 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1ul4 s VAL 56 CO 0.83 0.08 0.81 -1.81 0.00 0.00 0.00 175.10 175.02 1ul4 s ASP 57 N -0.71 6.07 -1.97 3.32 1.01 -1.26 -4.04 116.67 119.09 1ul4 s ASP 57 Ca 0.56 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.67 1ul4 s ASP 57 Cb -0.38 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1ul4 s ASP 57 CO 0.49 -0.71 0.00 0.54 0.21 0.00 0.00 175.17 175.70 1ul4 n ARG 58 N -2.34 -1.44 -2.31 8.23 3.00 -1.26 -4.92 116.66 115.62 1ul4 n ARG 58 Ca 0.02 1.12 -0.43 0.00 -0.01 0.00 0.00 57.85 58.55 1ul4 n ARG 58 Cb 0.56 -5.54 -0.02 0.00 0.00 0.00 0.00 32.46 27.46 1ul4 n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ul4 h THR 60 N 5.83 0.98 -3.47 0.00 1.35 -1.96 -3.47 112.91 112.18 1ul4 h THR 60 Ca -0.29 -2.79 -0.53 0.00 -0.55 0.00 0.00 66.41 62.24 1ul4 h THR 60 Cb 1.12 2.51 0.09 0.00 -1.73 0.00 0.00 68.15 70.14 1ul4 h THR 60 CO 1.00 0.60 0.87 0.00 -0.25 0.00 0.00 175.52 177.74 1ul4 n ALA 61 N -2.56 2.57 -2.22 6.62 0.00 -1.26 -4.99 120.51 118.66 1ul4 n ALA 61 Ca -0.15 0.36 -0.27 0.00 0.00 0.00 0.00 53.44 53.38 1ul4 n ALA 61 Cb 1.03 -2.46 0.01 0.00 0.00 0.00 0.00 19.45 18.03 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 0.34 6.09 -0.17 0.00 2.15 -1.26 -5.01 116.67 118.81 1ul4 s ASP 62 Ca 0.61 0.87 0.15 0.00 0.43 0.00 0.00 52.55 54.61 1ul4 s ASP 62 Cb -0.48 -2.10 0.44 0.00 -0.30 0.00 0.00 42.92 40.47 1ul4 s ASP 62 CO 0.52 -0.70 1.19 0.23 -0.17 0.00 0.00 175.17 176.25 1ul4 n MET 63 N -2.34 1.53 0.20 4.34 2.81 -1.25 -4.81 117.12 117.62 1ul4 n MET 63 Ca 0.02 -3.13 0.07 0.00 -1.81 0.00 0.00 57.70 52.84 1ul4 n MET 63 Cb 0.56 -1.30 0.58 0.00 -0.71 0.00 0.00 33.22 32.34 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 1.36 0.11 -2.56 0.03 3.64 -1.96 -3.29 116.57 113.91 1ul4 h LYS 64 Ca -0.01 -0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.76 1ul4 h LYS 64 Cb 1.36 -0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.75 1ul4 h LYS 64 CO 0.18 0.09 -0.81 0.39 -2.27 0.00 0.00 179.45 177.03 1ul4 n GLU 65 N -4.50 1.09 -3.12 1.90 -0.58 -1.26 -4.88 120.64 109.29 1ul4 n GLU 65 Ca -0.02 -3.81 -0.29 0.00 -0.42 0.00 0.00 57.16 52.62 1ul4 n GLU 65 Cb 0.10 -1.90 -0.03 0.00 -0.57 0.00 0.00 31.44 29.04 1ul4 n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ul4 s ALA 66 N -0.91 3.50 0.51 0.62 0.00 -1.24 -5.10 121.76 119.14 1ul4 s ALA 66 Ca 0.31 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.95 1ul4 s ALA 66 Cb 0.04 -2.47 0.05 0.00 0.00 0.00 0.00 23.12 20.73 1ul4 s ALA 66 CO -0.16 0.12 0.65 0.21 0.00 0.00 0.00 175.76 176.59 1ul4 s LYS 67 N -3.70 2.49 0.55 0.00 2.47 -1.26 -4.95 119.74 115.34 1ul4 s LYS 67 Ca 0.47 -1.53 0.22 0.00 -1.56 0.00 0.00 55.97 53.57 1ul4 s LYS 67 Cb -0.10 -2.62 1.48 0.00 -1.46 0.00 0.00 37.83 35.13 1ul4 s LYS 67 CO 0.31 -0.59 2.16 1.25 0.16 0.00 0.00 175.35 178.64 1ul4 h LEU 68 N 0.45 0.00 -0.01 5.43 5.85 -2.01 -0.07 115.31 124.95 1ul4 h LEU 68 Ca -0.35 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1ul4 h LEU 68 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1ul4 h LEU 68 CO 0.45 0.00 -0.32 0.22 -0.34 0.00 0.00 178.44 178.45 1ul4 h TYR 69 N 0.00 0.00 -1.47 1.25 3.20 -1.99 -3.31 116.97 114.66 1ul4 h TYR 69 Ca 0.03 0.00 -0.66 0.00 3.14 0.00 0.00 58.73 61.24 1ul4 h TYR 69 Cb 0.13 0.00 -0.35 0.00 1.54 0.00 0.00 36.73 38.06 1ul4 h TYR 69 CO 0.00 0.32 0.16 0.72 -1.64 0.00 0.00 178.16 177.72 1ul4 n HIS 70 N -3.18 3.13 0.00 -3.82 8.25 -0.05 -4.51 115.22 115.04 1ul4 n HIS 70 Ca 0.03 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.80 1ul4 n HIS 70 Cb 0.66 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.62 0.00 0.21 -0.41 1.74 -1.16 -4.43 116.66 112.00 1ul4 n ARG 71 Ca 0.49 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.73 1ul4 n ARG 71 Cb 0.56 0.00 0.81 0.00 -1.02 0.00 0.00 32.46 32.82 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 -1.85 0.57 114.38 118.77 1ul4 h ARG 72 Ca 0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 1ul4 h ARG 72 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1ul4 h ARG 72 CO 0.00 0.00 -0.69 0.45 0.10 0.00 0.00 179.97 179.83 1ul4 h HIS 73 N 0.00 0.00 -5.27 4.08 3.86 -1.88 -3.48 115.15 112.46 1ul4 h HIS 73 Ca 0.08 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.97 1ul4 h HIS 73 Cb 0.40 0.00 0.14 0.00 1.06 0.00 0.00 27.41 29.01 1ul4 h HIS 73 CO 0.00 0.69 -0.66 1.63 0.86 0.00 0.00 177.93 180.45 1ul4 n LYS 74 N -3.32 -6.32 -3.87 2.45 5.02 0.19 -4.84 118.16 107.48 1ul4 n LYS 74 Ca 0.01 0.75 -0.11 0.00 -2.02 0.00 0.00 58.31 56.94 1ul4 n LYS 74 Cb 0.79 -5.50 -0.09 0.00 -0.02 0.00 0.00 35.03 30.20 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 -3.31 0.09 0.43 -0.18 0.11 -1.26 -0.71 120.40 115.58 1ul4 s VAL 75 Ca 0.18 -0.77 0.08 0.00 -2.93 0.00 0.00 61.98 58.54 1ul4 s VAL 75 Cb -0.08 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1ul4 s VAL 75 CO 0.65 -0.42 0.57 0.00 -3.33 0.00 0.00 175.10 172.57 1ul4 h GLU 77 N 0.63 0.62 -0.44 0.00 4.81 -1.96 0.83 114.58 119.08 1ul4 h GLU 77 Ca -0.39 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1ul4 h GLU 77 Cb 1.28 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1ul4 h GLU 77 CO 0.46 0.75 0.29 0.28 -0.73 0.00 0.00 179.01 180.06 1ul4 h VAL 78 N 0.56 0.98 0.00 0.32 2.07 -1.95 0.19 116.25 118.42 1ul4 h VAL 78 Ca 0.10 -0.13 -0.29 0.00 0.82 0.00 0.00 66.70 67.20 1ul4 h VAL 78 Cb 0.58 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1ul4 h VAL 78 CO 0.04 0.07 -2.19 1.41 0.02 0.00 0.00 177.57 176.91 1ul4 n HIS 79 N -4.48 0.00 0.13 1.57 8.25 -1.04 -3.53 115.22 116.12 1ul4 n HIS 79 Ca 0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.50 1ul4 n HIS 79 Cb 0.23 -0.84 0.20 0.00 1.12 0.00 0.00 29.99 30.70 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 1.00 1.03 -0.63 -1.41 0.00 0.97 -3.24 119.26 116.98 1ul4 h ALA 80 Ca -0.43 -0.51 -0.45 0.00 0.00 0.00 0.00 54.91 53.52 1ul4 h ALA 80 Cb 1.96 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 19.27 1ul4 h ALA 80 CO 0.02 0.70 -0.85 1.63 0.00 0.00 0.00 179.25 180.75 1ul4 n LYS 81 N -3.88 3.09 -1.58 0.00 4.76 0.63 -4.76 118.16 116.42 1ul4 n LYS 81 Ca -0.02 -3.96 -0.14 0.00 -2.87 0.00 0.00 58.31 51.33 1ul4 n LYS 81 Cb 0.57 -2.08 0.08 0.00 -1.84 0.00 0.00 35.03 31.76 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ul4 n ALA 82 N -0.70 -0.09 -0.08 7.82 0.00 -1.22 -4.92 120.51 121.32 1ul4 n ALA 82 Ca 0.35 -1.07 -0.09 0.00 0.00 0.00 0.00 53.44 52.63 1ul4 n ALA 82 Cb 0.92 0.13 -0.11 0.00 0.00 0.00 0.00 19.45 20.40 1ul4 n ALA 82 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ul4 n SER 83 N -3.06 1.75 -3.49 0.00 3.41 -1.26 -4.88 113.62 106.10 1ul4 n SER 83 Ca 0.09 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1ul4 n SER 83 Cb 0.33 0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 64.76 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 -5.07 -0.55 0.23 4.04 1.04 -1.26 -4.92 113.70 107.22 1ul4 s SER 84 Ca -0.12 0.79 0.10 0.00 0.48 0.00 0.00 55.95 57.19 1ul4 s SER 84 Cb 0.05 1.50 -0.04 0.00 0.10 0.00 0.00 66.02 67.63 1ul4 s SER 84 CO 0.55 -0.12 -0.07 -0.69 0.98 0.00 0.00 173.24 173.89 1ul4 s VAL 85 N 2.06 3.19 -0.97 5.02 1.01 -0.97 -5.01 120.40 124.73 1ul4 s VAL 85 Ca -0.05 -1.87 -0.09 0.00 0.00 0.00 0.00 61.98 59.97 1ul4 s VAL 85 Cb -0.05 -2.65 0.25 0.00 0.00 0.00 0.00 36.38 33.93 1ul4 s VAL 85 CO -0.16 -0.26 0.93 0.12 0.00 0.00 0.00 175.10 175.72 1ul4 s PHE 86 N -2.07 4.03 -0.30 5.22 5.36 -1.26 -2.70 117.98 126.26 1ul4 s PHE 86 Ca 0.28 -2.59 -0.18 0.00 -0.96 0.00 0.00 56.93 53.49 1ul4 s PHE 86 Cb -0.07 -3.68 -0.02 0.00 -0.34 0.00 0.00 43.02 38.91 1ul4 s PHE 86 CO 0.17 -0.91 0.50 -1.17 -1.46 0.00 0.00 175.22 172.34 1ul4 s LEU 87 N -0.86 4.18 -1.64 6.12 2.96 -0.77 -4.13 118.68 124.53 1ul4 s LEU 87 Ca 0.26 0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 1ul4 s LEU 87 Cb -0.10 -2.60 0.00 0.00 0.50 0.00 0.00 46.19 43.99 1ul4 s LEU 87 CO -0.09 -0.37 0.39 -0.24 -1.32 0.00 0.00 176.35 174.73 1ul4 n SER 88 N 5.62 -6.05 -1.28 3.68 2.88 -1.26 -1.43 113.62 115.77 1ul4 n SER 88 Ca -0.05 -0.19 -0.12 0.00 -1.33 0.00 0.00 58.87 57.18 1ul4 n SER 88 Cb 0.49 -4.94 -0.01 0.00 -0.75 0.00 0.00 64.21 59.00 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 -1.34 0.15 3.28 0.46 0.00 -1.26 -5.01 105.19 101.46 1ul4 n GLY 89 Ca -0.16 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.31 2.08 -0.33 0.99 2.96 -0.52 -5.11 118.68 115.43 1ul4 s LEU 90 Ca 0.00 -1.22 -0.19 0.00 -0.22 0.00 0.00 54.13 52.50 1ul4 s LEU 90 Cb 0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.56 1ul4 s LEU 90 CO 0.00 -0.57 0.58 0.20 -1.32 0.00 0.00 176.35 175.24 1ul4 s ASN 91 N -3.24 6.40 0.06 3.68 0.01 -1.26 -1.85 114.94 118.74 1ul4 s ASN 91 Ca 0.27 0.19 0.01 0.00 -0.71 0.00 0.00 52.86 52.62 1ul4 s ASN 91 Cb 0.06 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 1ul4 s ASN 91 CO 0.07 -0.49 -0.05 -1.10 -1.51 0.00 0.00 177.10 174.01 1ul4 s GLN 92 N 2.53 0.62 0.01 -0.60 -0.21 -1.10 -1.62 119.66 119.29 1ul4 s GLN 92 Ca 0.22 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.57 1ul4 s GLN 92 Cb -0.15 -0.05 -0.01 0.00 1.00 0.00 0.00 33.01 33.80 1ul4 s GLN 92 CO 0.13 -0.04 -0.09 1.03 -2.12 0.00 0.00 175.29 174.20 1ul4 s ARG 93 N -3.00 0.67 -0.69 2.91 1.81 0.89 -2.29 118.95 119.25 1ul4 s ARG 93 Ca 0.01 -0.44 -0.27 0.00 -1.72 0.00 0.00 55.73 53.31 1ul4 s ARG 93 Cb 0.00 -0.62 0.00 0.00 -0.45 0.00 0.00 34.95 33.88 1ul4 s ARG 93 CO -0.05 0.16 1.58 0.12 -0.68 0.00 0.00 175.30 176.44 1ul4 s PHE 94 N -0.49 1.98 -0.59 -0.53 2.19 -1.26 -1.58 117.98 117.68 1ul4 s PHE 94 Ca 0.01 0.35 -0.26 0.00 0.33 0.00 0.00 56.93 57.35 1ul4 s PHE 94 Cb -0.05 -4.36 -0.03 0.00 -1.31 0.00 0.00 43.02 37.27 1ul4 s PHE 94 CO 0.00 -2.17 1.99 0.00 1.83 0.00 0.00 175.22 176.87 1ul4 h GLN 96 N 15.89 0.00 -0.03 0.00 1.08 -1.88 0.92 115.11 131.09 1ul4 h GLN 96 Ca -0.24 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1ul4 h GLN 96 Cb 1.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1ul4 h GLN 96 CO 1.20 0.00 -0.03 0.37 -0.95 0.00 0.00 178.83 179.42 1ul4 h GLN 97 N 0.00 -0.04 -0.30 1.46 4.15 -1.88 -3.11 115.11 115.40 1ul4 h GLN 97 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1ul4 h GLN 97 Cb 0.18 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1ul4 h GLN 97 CO -0.00 -0.03 0.00 0.00 -1.93 0.00 0.00 178.83 176.87 1ul4 n SER 99 N 0.63 -4.70 -3.75 0.00 2.88 0.31 -4.92 113.62 104.07 1ul4 n SER 99 Ca 0.11 0.16 -0.12 0.00 -1.33 0.00 0.00 58.87 57.69 1ul4 n SER 99 Cb 0.41 -3.34 0.04 0.00 -0.75 0.00 0.00 64.21 60.57 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 -0.29 0.79 -3.75 -1.46 5.12 -1.08 -4.87 116.66 111.13 1ul4 n ARG 100 Ca -0.06 -1.89 -0.37 0.00 -1.93 0.00 0.00 57.85 53.60 1ul4 n ARG 100 Cb 0.46 -0.10 -0.11 0.00 -1.16 0.00 0.00 32.46 31.54 1ul4 n ARG 100 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ul4 s PHE 101 N -1.21 3.48 0.09 -1.55 0.08 -1.26 -0.40 117.98 117.22 1ul4 s PHE 101 Ca 0.35 -2.13 0.02 0.00 0.12 0.00 0.00 56.93 55.28 1ul4 s PHE 101 Cb -0.03 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.35 1ul4 s PHE 101 CO 0.22 -0.93 0.14 -1.01 -0.10 0.00 0.00 175.22 173.55 1ul4 s HIS 102 N 1.23 3.30 0.86 0.36 3.76 -0.62 -4.90 115.29 119.28 1ul4 s HIS 102 Ca 0.05 0.11 -0.10 0.00 -0.15 0.00 0.00 55.06 54.97 1ul4 s HIS 102 Cb -0.23 -1.65 0.12 0.00 1.11 0.00 0.00 32.58 31.93 1ul4 s HIS 102 CO -0.02 0.54 1.13 0.34 -0.85 0.00 0.00 174.74 175.88 1ul4 s ASP 103 N -2.62 3.43 0.32 1.40 2.15 -1.26 -0.08 116.67 120.00 1ul4 s ASP 103 Ca 0.32 2.10 0.08 0.00 0.43 0.00 0.00 52.55 55.47 1ul4 s ASP 103 Cb -0.12 -2.56 0.53 0.00 -0.30 0.00 0.00 42.92 40.48 1ul4 s ASP 103 CO 0.25 -2.76 1.75 0.25 -0.17 0.00 0.00 175.17 174.48 1ul4 h LEU 104 N -1.59 0.21 -2.40 -1.34 5.85 -1.61 -2.57 115.31 111.87 1ul4 h LEU 104 Ca -0.43 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1ul4 h LEU 104 Cb 1.26 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1ul4 h LEU 104 CO 0.45 0.57 -0.03 1.56 -0.34 0.00 0.00 178.44 180.65 1ul4 h GLN 105 N 0.18 0.00 0.02 1.25 4.20 -1.91 -1.37 115.11 117.47 1ul4 h GLN 105 Ca 0.02 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.51 1ul4 h GLN 105 Cb 0.74 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1ul4 h GLN 105 CO 0.06 0.03 -1.04 0.93 -0.67 0.00 0.00 178.83 178.13 1ul4 h GLU 106 N 0.00 0.04 -0.61 1.46 4.39 -1.82 -3.28 114.58 114.77 1ul4 h GLU 106 Ca -0.00 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 1ul4 h GLU 106 Cb 0.09 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1ul4 h GLU 106 CO 0.00 1.03 0.08 0.74 -1.16 0.00 0.00 179.01 179.71 1ul4 h PHE 107 N 0.01 1.05 -3.55 4.33 -1.00 -1.27 -3.46 116.94 113.06 1ul4 h PHE 107 Ca -0.03 -0.14 0.37 0.00 2.81 0.00 0.00 57.97 60.98 1ul4 h PHE 107 Cb 1.80 -0.29 -0.18 0.00 3.61 0.00 0.00 35.95 40.89 1ul4 h PHE 107 CO 0.01 0.90 -1.17 -3.47 -1.61 0.00 0.00 178.31 172.97 1ul4 n ASP 108 N -4.22 -8.37 0.03 2.17 2.03 -1.14 -3.15 116.55 103.90 1ul4 n ASP 108 Ca 0.04 1.33 -0.11 0.00 0.52 0.00 0.00 54.79 56.57 1ul4 n ASP 108 Cb 0.29 -4.99 0.01 0.00 -0.72 0.00 0.00 41.12 35.71 1ul4 n ASP 108 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ul4 h GLU 109 N -1.45 0.49 -0.01 -0.67 5.08 -1.93 -3.31 114.58 112.79 1ul4 h GLU 109 Ca -0.16 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 57.77 1ul4 h GLU 109 Cb 1.41 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1ul4 h GLU 109 CO 0.07 1.03 -0.11 0.00 -1.00 0.00 0.00 179.01 178.99 1ul4 h ALA 110 N 0.86 0.02 -2.24 3.43 0.00 -2.00 -3.46 119.26 115.87 1ul4 h ALA 110 Ca -0.03 -0.41 -0.46 0.00 0.00 0.00 0.00 54.91 54.01 1ul4 h ALA 110 Cb 1.32 0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.18 1ul4 h ALA 110 CO 0.13 -0.03 0.18 0.15 0.00 0.00 0.00 179.25 179.69 1ul4 s LYS 111 N -3.26 2.37 -0.33 0.00 1.02 -1.19 -5.04 119.74 113.32 1ul4 s LYS 111 Ca -0.17 -0.28 0.14 0.00 0.02 0.00 0.00 55.97 55.69 1ul4 s LYS 111 Cb 0.00 -2.23 0.42 0.00 -0.52 0.00 0.00 37.83 35.51 1ul4 s LYS 111 CO 0.71 -1.07 1.48 -2.13 -0.92 0.00 0.00 175.35 173.42 1ul4 n ARG 112 N -2.78 1.41 0.00 1.68 0.63 -1.20 -4.31 116.66 112.08 1ul4 n ARG 112 Ca 0.07 -1.54 0.00 0.00 -0.92 0.00 0.00 57.85 55.47 1ul4 n ARG 112 Cb 0.60 0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.65 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 -1.40 0.00 -1.61 6.15 7.64 -1.26 -4.97 113.62 118.17 1ul4 n SER 113 Ca -0.14 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.72 1ul4 n SER 113 Cb 0.87 0.07 0.01 0.00 -1.01 0.00 0.00 64.21 64.15 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 -0.19 0.63 -1.68 0.00 1.74 -1.26 -4.26 116.66 111.64 1ul4 n ARG 115 Ca -0.02 0.30 -0.44 0.00 -0.77 0.00 0.00 57.85 56.92 1ul4 n ARG 115 Cb 0.18 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 1ul4 n ARG 115 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ul4 n ARG 116 N -3.92 2.60 0.00 5.56 3.00 -1.26 -0.79 116.66 121.85 1ul4 n ARG 116 Ca -0.44 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.36 1ul4 n ARG 116 Cb 0.89 -2.82 0.00 0.00 0.00 0.00 0.00 32.46 30.53 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 5.70 0.00 -0.30 -0.14 0.63 -1.26 -4.49 116.66 116.80 1ul4 n ARG 117 Ca 0.19 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.25 1ul4 n ARG 117 Cb 0.35 0.00 0.31 0.00 0.45 0.00 0.00 32.46 33.57 1ul4 n ARG 117 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1ul4 h LEU 118 N 0.00 0.22 -9.06 6.15 7.12 -1.78 -3.37 115.31 114.58 1ul4 h LEU 118 Ca 0.00 0.17 -0.56 0.00 0.13 0.00 0.00 57.88 57.62 1ul4 h LEU 118 Cb 0.00 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.28 1ul4 h LEU 118 CO 0.00 -0.06 1.05 0.00 -0.13 0.00 0.00 178.44 179.30 1ul4 s ALA 119 N -5.89 3.40 0.00 1.25 0.00 0.03 -4.82 121.76 115.72 1ul4 s ALA 119 Ca -0.12 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1ul4 s ALA 119 Cb 0.26 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1ul4 s ALA 119 CO 0.78 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1ul4 n GLY 120 N 4.35 -1.89 3.12 0.00 0.00 -1.26 -4.96 105.19 104.55 1ul4 n GLY 120 Ca 0.17 0.92 -0.35 0.00 0.00 0.00 0.00 46.02 46.76 1ul4 n GLY 120 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ul4 s HIS 121 N 0.00 3.57 -0.07 1.61 -3.43 -1.26 -4.85 115.29 110.86 1ul4 s HIS 121 Ca 0.00 -2.41 0.09 0.00 -0.80 0.00 0.00 55.06 51.94 1ul4 s HIS 121 Cb 0.00 -3.04 0.18 0.00 -1.43 0.00 0.00 32.58 28.29 1ul4 s HIS 121 CO 0.00 -0.95 1.13 -1.71 -2.00 0.00 0.00 174.74 171.21 1ul4 n ASN 122 N 4.56 -0.53 -4.94 7.38 4.05 -1.26 -5.13 115.26 119.39 1ul4 n ASN 122 Ca -0.03 -2.04 -0.23 0.00 0.45 0.00 0.00 54.58 52.74 1ul4 n ASN 122 Cb 0.42 0.20 -0.03 0.00 1.23 0.00 0.00 39.78 41.60 1ul4 n ASN 122 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1ul4 s GLU 123 N -0.18 3.36 -0.16 1.20 2.02 -1.26 -5.12 118.70 118.56 1ul4 s GLU 123 Ca 0.10 -0.75 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 1ul4 s GLU 123 Cb 0.17 -2.87 0.06 0.00 0.10 0.00 0.00 34.13 31.59 1ul4 s GLU 123 CO -0.06 0.45 0.37 0.50 0.02 0.00 0.00 175.26 176.55 1ul4 s ARG 124 N -3.72 0.33 0.14 1.61 6.06 -1.26 -5.16 118.95 116.94 1ul4 s ARG 124 Ca 0.34 0.79 0.05 0.00 -2.50 0.00 0.00 55.73 54.41 1ul4 s ARG 124 Cb -0.09 0.03 -0.04 0.00 0.06 0.00 0.00 34.95 34.90 1ul4 s ARG 124 CO 0.28 -0.19 0.09 0.50 -2.50 0.00 0.00 175.30 173.48 1ul4 s ARG 125 N 1.71 2.78 0.05 5.12 3.52 -1.26 -5.13 118.95 125.74 1ul4 s ARG 125 Ca -0.07 -0.87 0.09 0.00 -0.13 0.00 0.00 55.73 54.75 1ul4 s ARG 125 Cb -0.10 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1ul4 s ARG 125 CO -0.12 0.50 -0.25 0.50 -0.81 0.00 0.00 175.30 175.13 1ul4 s ARG 126 N -2.86 1.84 0.55 5.12 3.52 -1.26 -5.14 118.95 120.71 1ul4 s ARG 126 Ca 0.29 -1.10 0.05 0.00 -0.13 0.00 0.00 55.73 54.85 1ul4 s ARG 126 Cb -0.10 -2.02 0.10 0.00 -1.56 0.00 0.00 34.95 31.37 1ul4 s ARG 126 CO 0.22 0.51 0.76 0.36 -0.81 0.00 0.00 175.30 176.34 1ul4 n LYS 127 N 1.70 0.41 0.00 5.12 -0.00 -1.26 -5.06 118.16 119.06 1ul4 n LYS 127 Ca -0.17 -2.58 0.00 0.00 -0.00 0.00 0.00 58.31 55.56 1ul4 n LYS 127 Cb 0.52 -0.34 0.00 0.00 -0.00 0.00 0.00 35.03 35.21 1ul4 n LYS 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ul4 n SER 128 N -2.60 0.00 -4.74 -5.58 3.41 -1.26 -5.09 113.62 97.76 1ul4 n SER 128 Ca 0.14 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 1ul4 n SER 128 Cb 0.52 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 1ul4 n SER 128 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ul4 s SER 129 N -4.38 7.48 -0.11 4.04 1.04 -1.26 -4.97 113.70 115.53 1ul4 s SER 129 Ca 0.00 1.92 -0.10 0.00 0.48 0.00 0.00 55.95 58.25 1ul4 s SER 129 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 1ul4 s SER 129 CO 0.00 -0.04 -0.21 0.61 0.98 0.00 0.00 173.24 174.58 1ul4 n GLY 130 N 1.97 -0.30 0.00 7.32 0.00 -1.26 -5.29 105.19 107.63 1ul4 n GLY 130 Ca 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50