#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 3.34 -0.06 1.96 5.12 -1.26 -3.96 116.66 121.80 1ul4 n ARG 52 Ca 0.00 -3.74 -0.06 0.00 -1.93 0.00 0.00 57.85 52.12 1ul4 n ARG 52 Cb 0.00 -3.12 -0.10 0.00 -1.16 0.00 0.00 32.46 28.08 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 6.08 0.02 -4.70 0.55 4.77 -1.26 -4.99 117.00 117.47 1ul4 n LEU 53 Ca 0.39 -0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.94 1ul4 n LEU 53 Cb 0.43 0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.79 1ul4 n LEU 53 CO 0.66 0.31 1.33 0.00 -1.33 0.00 0.00 177.39 178.35 1ul4 h GLN 55 N 6.76 0.03 -7.01 0.00 3.07 -1.81 -3.44 115.11 112.71 1ul4 h GLN 55 Ca -0.44 -0.01 -0.53 0.00 0.09 0.00 0.00 58.65 57.76 1ul4 h GLN 55 Cb 1.22 -0.00 0.10 0.00 0.08 0.00 0.00 27.48 28.88 1ul4 h GLN 55 CO 0.93 0.41 0.57 0.08 0.09 0.00 0.00 178.83 180.92 1ul4 s VAL 56 N -4.16 2.55 0.49 1.86 1.01 -1.26 -5.02 120.40 115.87 1ul4 s VAL 56 Ca -0.03 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1ul4 s VAL 56 Cb 0.14 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1ul4 s VAL 56 CO 0.73 0.02 0.75 -1.81 0.00 0.00 0.00 175.10 174.79 1ul4 s ASP 57 N -1.02 5.88 -2.03 3.32 1.01 -1.26 -4.14 116.67 118.43 1ul4 s ASP 57 Ca 0.65 0.56 0.00 0.00 0.71 0.00 0.00 52.55 54.46 1ul4 s ASP 57 Cb -0.36 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1ul4 s ASP 57 CO 0.44 -0.76 0.00 0.54 0.21 0.00 0.00 175.17 175.60 1ul4 n ARG 58 N -2.25 -1.35 -2.57 8.23 1.74 -1.26 -4.90 116.66 114.30 1ul4 n ARG 58 Ca 0.02 1.17 -0.43 0.00 -0.77 0.00 0.00 57.85 57.83 1ul4 n ARG 58 Cb 0.57 -5.50 -0.02 0.00 -1.02 0.00 0.00 32.46 26.49 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 5.38 1.14 -1.71 0.00 -2.24 -1.26 -4.98 114.28 110.62 1ul4 n THR 60 Ca 0.13 -0.76 -0.43 0.00 -2.27 0.00 0.00 64.05 60.72 1ul4 n THR 60 Cb 0.46 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.64 1.68 -1.91 6.98 0.00 -1.26 -4.87 120.51 118.49 1ul4 n ALA 61 Ca -0.27 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1ul4 n ALA 61 Cb 1.04 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 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 0.16 6.22 -0.43 0.00 2.15 -1.26 -4.86 116.67 118.65 1ul4 s ASP 62 Ca 0.62 1.94 0.05 0.00 0.43 0.00 0.00 52.55 55.59 1ul4 s ASP 62 Cb -0.57 -2.53 0.65 0.00 -0.30 0.00 0.00 42.92 40.17 1ul4 s ASP 62 CO 0.54 -1.34 1.85 0.80 -0.17 0.00 0.00 175.17 176.85 1ul4 n MET 63 N 7.83 2.22 0.00 4.34 1.56 -1.25 -4.38 117.12 127.43 1ul4 n MET 63 Ca 0.21 -3.04 -0.19 0.00 -0.27 0.00 0.00 57.70 54.41 1ul4 n MET 63 Cb 0.44 -2.13 -0.14 0.00 2.15 0.00 0.00 33.22 33.54 1ul4 n MET 63 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1ul4 n LYS 64 N -1.13 0.74 -2.77 2.12 4.81 -1.26 -4.41 118.16 116.26 1ul4 n LYS 64 Ca 0.56 0.27 -0.38 0.00 -0.87 0.00 0.00 58.31 57.88 1ul4 n LYS 64 Cb 1.58 -1.73 0.01 0.00 0.02 0.00 0.00 35.03 34.91 1ul4 n LYS 64 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ul4 n GLU 65 N -3.41 4.85 -3.86 1.64 -0.58 -1.26 -5.01 120.64 113.00 1ul4 n GLU 65 Ca -0.29 -4.69 -0.33 0.00 -0.42 0.00 0.00 57.16 51.43 1ul4 n GLU 65 Cb 1.05 -2.43 -0.05 0.00 -0.57 0.00 0.00 31.44 29.44 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 -3.91 3.93 0.99 0.62 0.00 -1.26 -5.10 121.76 117.02 1ul4 s ALA 66 Ca 0.40 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 1ul4 s ALA 66 Cb 0.18 -1.93 0.18 0.00 0.00 0.00 0.00 23.12 21.56 1ul4 s ALA 66 CO -0.09 0.73 1.16 0.21 0.00 0.00 0.00 175.76 177.76 1ul4 s LYS 67 N -1.95 0.50 0.53 0.00 2.20 -1.26 -4.60 119.74 115.16 1ul4 s LYS 67 Ca 0.28 0.12 0.19 0.00 -0.36 0.00 0.00 55.97 56.21 1ul4 s LYS 67 Cb -0.13 -1.78 1.39 0.00 -1.51 0.00 0.00 37.83 35.80 1ul4 s LYS 67 CO 0.19 -2.60 2.16 -0.07 -0.36 0.00 0.00 175.35 174.67 1ul4 h LEU 68 N -1.79 0.00 -0.01 5.43 3.38 -1.99 0.82 115.31 121.16 1ul4 h LEU 68 Ca -0.49 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.27 1ul4 h LEU 68 Cb 1.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 1ul4 h LEU 68 CO 0.52 0.01 -1.00 0.22 0.09 0.00 0.00 178.44 178.29 1ul4 h TYR 69 N 0.00 0.00 0.00 1.13 3.20 -1.98 -2.10 116.97 117.23 1ul4 h TYR 69 Ca -0.00 -0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1ul4 h TYR 69 Cb 0.03 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1ul4 h TYR 69 CO 0.00 1.00 -1.50 0.45 -1.64 0.00 0.00 178.16 176.47 1ul4 h HIS 70 N 0.00 0.00 0.18 -3.82 3.86 -1.46 -3.29 115.15 110.62 1ul4 h HIS 70 Ca -0.01 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.90 1ul4 h HIS 70 Cb 1.76 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.25 1ul4 h HIS 70 CO 0.00 0.81 -1.34 0.00 0.86 0.00 0.00 177.93 178.26 1ul4 h ARG 71 N 0.00 0.38 -0.02 2.45 3.08 0.53 -0.16 114.38 120.63 1ul4 h ARG 71 Ca -0.21 -0.64 -0.00 0.00 0.07 0.00 0.00 59.98 59.20 1ul4 h ARG 71 Cb 1.80 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 32.09 1ul4 h ARG 71 CO 0.07 1.31 0.01 -0.09 -1.07 0.00 0.00 179.97 180.20 1ul4 h ARG 72 N 0.10 0.03 0.00 0.04 2.43 -1.53 -2.44 114.38 113.01 1ul4 h ARG 72 Ca -0.18 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1ul4 h ARG 72 Cb 2.05 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 1ul4 h ARG 72 CO 0.23 0.15 0.00 0.72 -1.51 0.00 0.00 179.97 179.57 1ul4 n HIS 73 N -5.01 0.00 -2.43 2.20 8.25 -1.24 -4.89 115.22 112.10 1ul4 n HIS 73 Ca -0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.24 1ul4 n HIS 73 Cb 0.09 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.76 1ul4 n HIS 73 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ul4 n LYS 74 N -1.44 -1.84 -4.36 -0.41 4.81 -0.92 -4.91 118.16 109.08 1ul4 n LYS 74 Ca 0.08 0.71 -0.19 0.00 -0.87 0.00 0.00 58.31 58.04 1ul4 n LYS 74 Cb 0.27 -5.05 -0.14 0.00 0.02 0.00 0.00 35.03 30.13 1ul4 n LYS 74 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ul4 s VAL 75 N -2.82 0.88 0.65 3.15 0.11 -0.11 -2.29 120.40 119.98 1ul4 s VAL 75 Ca 0.06 -0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1ul4 s VAL 75 Cb -0.03 -0.78 0.07 0.00 -1.53 0.00 0.00 36.38 34.12 1ul4 s VAL 75 CO 0.07 0.09 0.91 0.00 -3.33 0.00 0.00 175.10 172.85 1ul4 h GLU 77 N -0.32 0.66 -0.58 0.00 4.81 -1.95 0.82 114.58 118.02 1ul4 h GLU 77 Ca -0.41 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1ul4 h GLU 77 Cb 1.29 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1ul4 h GLU 77 CO 0.50 0.71 0.38 0.28 -0.73 0.00 0.00 179.01 180.15 1ul4 h VAL 78 N 0.62 1.02 0.00 0.32 2.07 -1.99 0.05 116.25 118.34 1ul4 h VAL 78 Ca 0.12 -0.20 -0.30 0.00 0.82 0.00 0.00 66.70 67.14 1ul4 h VAL 78 Cb 0.45 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1ul4 h VAL 78 CO 0.02 0.11 -2.30 1.41 0.02 0.00 0.00 177.57 176.83 1ul4 n HIS 79 N -4.47 0.00 0.16 1.57 8.25 -1.02 -3.28 115.22 116.43 1ul4 n HIS 79 Ca 0.08 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.55 1ul4 n HIS 79 Cb 0.20 -0.89 0.31 0.00 1.12 0.00 0.00 29.99 30.73 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 1.17 1.29 0.06 -1.41 0.00 0.95 -3.18 119.26 118.13 1ul4 h ALA 80 Ca -0.44 -0.38 -0.35 0.00 0.00 0.00 0.00 54.91 53.74 1ul4 h ALA 80 Cb 2.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 1ul4 h ALA 80 CO 0.02 0.52 -2.02 1.63 0.00 0.00 0.00 179.25 179.41 1ul4 n LYS 81 N -4.05 0.70 -1.71 0.00 5.02 -0.02 -4.91 118.16 113.19 1ul4 n LYS 81 Ca -0.02 0.23 -0.43 0.00 -2.02 0.00 0.00 58.31 56.07 1ul4 n LYS 81 Cb 0.44 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ul4 n ALA 82 N -2.88 2.46 -1.31 7.82 0.00 -1.20 -4.89 120.51 120.51 1ul4 n ALA 82 Ca -0.30 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 1ul4 n ALA 82 Cb 1.05 -2.48 0.12 0.00 0.00 0.00 0.00 19.45 18.14 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 3.70 6.13 -2.66 0.00 3.41 -1.26 -4.38 113.62 118.56 1ul4 n SER 83 Ca 0.16 -3.72 -0.03 0.00 -0.26 0.00 0.00 58.87 55.01 1ul4 n SER 83 Cb 0.33 -0.91 0.04 0.00 -0.26 0.00 0.00 64.21 63.41 1ul4 n SER 83 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ul4 n SER 84 N -1.00 -1.33 -4.90 4.04 3.41 -1.25 -4.64 113.62 107.95 1ul4 n SER 84 Ca 0.61 -0.90 -0.28 0.00 -0.26 0.00 0.00 58.87 58.04 1ul4 n SER 84 Cb 1.04 0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 65.65 1ul4 n SER 84 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ul4 s VAL 85 N 0.91 4.94 -1.03 -3.33 1.01 0.91 -4.79 120.40 119.02 1ul4 s VAL 85 Ca 0.23 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1ul4 s VAL 85 Cb 0.14 -3.80 0.31 0.00 0.00 0.00 0.00 36.38 33.03 1ul4 s VAL 85 CO -0.11 -0.60 1.48 0.33 0.00 0.00 0.00 175.10 176.20 1ul4 n PHE 86 N -1.64 2.45 -3.25 5.22 7.35 -1.25 -1.22 117.46 125.11 1ul4 n PHE 86 Ca -0.00 -2.71 -0.39 0.00 -0.76 0.00 0.00 57.45 53.58 1ul4 n PHE 86 Cb 0.55 -1.17 -0.07 0.00 0.35 0.00 0.00 39.48 39.13 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 -3.06 4.12 -1.65 -2.13 2.96 -0.64 -4.06 118.68 114.22 1ul4 s LEU 87 Ca 0.33 0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 1ul4 s LEU 87 Cb 0.09 -2.69 0.00 0.00 0.50 0.00 0.00 46.19 44.09 1ul4 s LEU 87 CO 0.06 -0.20 0.30 -1.20 -1.32 0.00 0.00 176.35 173.99 1ul4 n SER 88 N 4.98 -5.99 -2.16 3.68 7.64 -1.26 -1.80 113.62 118.70 1ul4 n SER 88 Ca -0.05 -0.15 -0.15 0.00 1.01 0.00 0.00 58.87 59.53 1ul4 n SER 88 Cb 0.50 -4.90 0.03 0.00 -1.01 0.00 0.00 64.21 58.83 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 -1.27 -0.14 3.14 0.23 0.00 -1.26 -5.02 105.19 100.88 1ul4 n GLY 89 Ca -0.18 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.76 1.57 -0.39 0.99 1.43 -0.75 -5.11 118.68 111.67 1ul4 s LEU 90 Ca 0.21 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.64 1ul4 s LEU 90 Cb -0.09 0.77 0.02 0.00 0.03 0.00 0.00 46.19 46.91 1ul4 s LEU 90 CO 0.27 -0.51 0.91 0.20 0.23 0.00 0.00 176.35 177.45 1ul4 s ASN 91 N -2.01 6.63 -0.01 2.29 0.01 -1.25 -1.61 114.94 118.99 1ul4 s ASN 91 Ca -0.06 0.47 0.06 0.00 -0.71 0.00 0.00 52.86 52.61 1ul4 s ASN 91 Cb -0.02 -2.46 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 1ul4 s ASN 91 CO -0.03 -0.89 -0.18 -1.10 -1.51 0.00 0.00 177.10 173.38 1ul4 s GLN 92 N 3.50 1.49 -0.18 -0.60 -0.21 -0.36 0.04 119.66 123.34 1ul4 s GLN 92 Ca 0.37 -0.67 -0.03 0.00 0.02 0.00 0.00 55.36 55.05 1ul4 s GLN 92 Cb -0.12 -1.45 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 1ul4 s GLN 92 CO 0.20 0.40 -0.05 0.50 -2.12 0.00 0.00 175.29 174.22 1ul4 s ARG 93 N -0.45 3.50 -0.69 2.91 3.52 -0.16 -0.06 118.95 127.51 1ul4 s ARG 93 Ca 0.07 -0.59 -0.25 0.00 -0.13 0.00 0.00 55.73 54.83 1ul4 s ARG 93 Cb -0.07 -2.93 -0.12 0.00 -1.56 0.00 0.00 34.95 30.26 1ul4 s ARG 93 CO -0.01 0.03 2.42 0.34 -0.81 0.00 0.00 175.30 177.27 1ul4 n PHE 94 N 4.15 1.20 -2.41 5.12 7.35 -1.26 -2.46 117.46 129.16 1ul4 n PHE 94 Ca -0.18 0.04 -0.41 0.00 -0.76 0.00 0.00 57.45 56.15 1ul4 n PHE 94 Cb 0.52 -2.54 -0.03 0.00 0.35 0.00 0.00 39.48 37.77 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 11.25 0.00 -0.96 0.00 4.15 -1.90 0.64 115.11 128.29 1ul4 h GLN 96 Ca -0.27 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.21 1ul4 h GLN 96 Cb 1.08 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.71 1ul4 h GLN 96 CO 1.23 0.17 0.62 1.96 -1.93 0.00 0.00 178.83 180.88 1ul4 h GLN 97 N 0.00 1.08 -0.20 1.69 4.20 -1.91 -2.66 115.11 117.31 1ul4 h GLN 97 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ul4 h GLN 97 Cb 0.43 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1ul4 h GLN 97 CO 0.02 0.72 0.00 0.00 -0.67 0.00 0.00 178.83 178.90 1ul4 n SER 99 N 0.06 -4.30 -4.46 0.00 2.88 0.17 -4.91 113.62 103.07 1ul4 n SER 99 Ca 0.07 0.18 -0.22 0.00 -1.33 0.00 0.00 58.87 57.57 1ul4 n SER 99 Cb 0.36 -3.21 -0.11 0.00 -0.75 0.00 0.00 64.21 60.50 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 -2.35 1.66 0.25 -1.46 1.70 -0.94 -4.95 118.95 112.86 1ul4 s ARG 100 Ca 0.00 -1.91 -0.17 0.00 -0.47 0.00 0.00 55.73 53.18 1ul4 s ARG 100 Cb 0.00 -0.96 -0.08 0.00 -0.57 0.00 0.00 34.95 33.34 1ul4 s ARG 100 CO 0.00 -0.15 0.70 -0.06 -1.08 0.00 0.00 175.30 174.71 1ul4 s PHE 101 N -3.22 3.53 0.07 5.89 0.08 -1.26 -1.10 117.98 121.97 1ul4 s PHE 101 Ca 0.35 1.26 0.04 0.00 0.12 0.00 0.00 56.93 58.70 1ul4 s PHE 101 Cb 0.08 -2.54 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 1ul4 s PHE 101 CO 0.15 0.25 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.39 1ul4 s HIS 102 N -1.70 1.07 0.71 0.36 3.76 -1.03 -4.87 115.29 113.59 1ul4 s HIS 102 Ca 0.47 -0.49 -0.16 0.00 -0.15 0.00 0.00 55.06 54.72 1ul4 s HIS 102 Cb -0.14 -0.61 0.02 0.00 1.11 0.00 0.00 32.58 32.97 1ul4 s HIS 102 CO 0.19 0.02 1.23 -3.47 -0.85 0.00 0.00 174.74 171.86 1ul4 n ASP 103 N 1.23 1.55 0.29 1.40 2.03 -1.26 -0.99 116.55 120.80 1ul4 n ASP 103 Ca -0.21 0.73 0.19 0.00 0.52 0.00 0.00 54.79 56.02 1ul4 n ASP 103 Cb 0.55 -1.52 0.99 0.00 -0.72 0.00 0.00 41.12 40.42 1ul4 n ASP 103 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1ul4 h LEU 104 N -0.04 0.00 -3.63 -2.67 5.85 -0.75 -2.12 115.31 111.94 1ul4 h LEU 104 Ca -0.49 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 57.87 1ul4 h LEU 104 Cb 1.33 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.21 1ul4 h LEU 104 CO 0.50 0.00 0.43 0.00 -0.34 0.00 0.00 178.44 179.03 1ul4 n GLN 105 N -3.39 1.92 -1.08 1.25 3.00 -1.26 -3.93 117.38 113.90 1ul4 n GLN 105 Ca -0.02 -1.75 0.02 0.00 -0.01 0.00 0.00 57.00 55.25 1ul4 n GLN 105 Cb 0.19 -1.72 0.01 0.00 0.00 0.00 0.00 30.24 28.73 1ul4 n GLN 105 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1ul4 n GLU 106 N 0.36 0.02 -3.33 -1.09 -0.58 -0.80 -5.00 120.64 110.22 1ul4 n GLU 106 Ca 0.34 -1.61 -0.13 0.00 -0.42 0.00 0.00 57.16 55.35 1ul4 n GLU 106 Cb 0.58 -0.22 -0.07 0.00 -0.57 0.00 0.00 31.44 31.16 1ul4 n GLU 106 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1ul4 s PHE 107 N -0.04 -0.70 0.45 -0.32 0.40 -1.25 -4.65 117.98 111.86 1ul4 s PHE 107 Ca 0.20 -0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 1ul4 s PHE 107 Cb 0.23 -0.26 -0.02 0.00 0.51 0.00 0.00 43.02 43.48 1ul4 s PHE 107 CO -0.10 -0.99 0.29 0.34 0.70 0.00 0.00 175.22 175.46 1ul4 s ASP 108 N 2.02 4.65 0.48 1.36 2.15 -1.26 -4.98 116.67 121.09 1ul4 s ASP 108 Ca 0.13 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 52.07 1ul4 s ASP 108 Cb -0.13 -0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.23 1ul4 s ASP 108 CO -0.18 -0.72 0.00 -0.62 -0.17 0.00 0.00 175.17 173.48 1ul4 n GLU 109 N -1.46 -2.22 -1.24 4.34 1.02 -1.26 -3.79 120.64 116.03 1ul4 n GLU 109 Ca -0.00 1.46 -0.36 0.00 -0.02 0.00 0.00 57.16 58.24 1ul4 n GLU 109 Cb 0.64 -2.71 -0.02 0.00 -0.02 0.00 0.00 31.44 29.33 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 -1.74 6.19 -2.74 0.62 0.00 -1.26 -4.85 120.51 116.74 1ul4 n ALA 110 Ca 0.01 -3.22 -0.17 0.00 0.00 0.00 0.00 53.44 50.06 1ul4 n ALA 110 Cb 0.50 -3.34 -0.12 0.00 0.00 0.00 0.00 19.45 16.49 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 2.88 0.75 -0.27 0.00 -0.14 -1.25 -5.05 119.74 116.66 1ul4 s LYS 111 Ca 0.57 -0.82 0.09 0.00 -1.36 0.00 0.00 55.97 54.45 1ul4 s LYS 111 Cb 0.15 -0.69 0.45 0.00 -1.68 0.00 0.00 37.83 36.06 1ul4 s LYS 111 CO -0.05 0.16 1.19 0.54 -0.76 0.00 0.00 175.35 176.43 1ul4 n ARG 112 N 1.54 3.09 -3.84 1.68 5.12 -1.26 -4.78 116.66 118.22 1ul4 n ARG 112 Ca -0.21 -3.95 -0.06 0.00 -1.93 0.00 0.00 57.85 51.71 1ul4 n ARG 112 Cb 0.55 -2.09 0.02 0.00 -1.16 0.00 0.00 32.46 29.77 1ul4 n ARG 112 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1ul4 s SER 113 N -3.52 -0.02 0.81 0.55 0.01 -1.26 -4.90 113.70 105.36 1ul4 s SER 113 Ca 0.47 -0.86 -0.14 0.00 1.31 0.00 0.00 55.95 56.74 1ul4 s SER 113 Cb 0.40 0.67 0.06 0.00 0.21 0.00 0.00 66.02 67.36 1ul4 s SER 113 CO 0.01 -1.32 1.07 0.00 0.41 0.00 0.00 173.24 173.42 1ul4 n ARG 115 N -2.86 2.14 -0.03 0.00 1.85 -1.26 -4.02 116.66 112.48 1ul4 n ARG 115 Ca 0.13 -3.11 -0.22 0.00 -1.00 0.00 0.00 57.85 53.65 1ul4 n ARG 115 Cb 0.51 -1.97 -0.13 0.00 -1.05 0.00 0.00 32.46 29.81 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 -1.05 0.70 -0.04 2.89 0.63 -1.26 -4.23 116.66 114.30 1ul4 n ARG 116 Ca 0.43 0.37 -0.05 0.00 -0.92 0.00 0.00 57.85 57.68 1ul4 n ARG 116 Cb 1.28 -1.72 -0.04 0.00 0.45 0.00 0.00 32.46 32.42 1ul4 n ARG 116 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ul4 n ARG 117 N -3.80 1.23 -0.36 -0.14 3.00 -1.26 -4.65 116.66 110.67 1ul4 n ARG 117 Ca -0.32 0.03 -0.01 0.00 -0.00 0.00 0.00 57.85 57.55 1ul4 n ARG 117 Cb 0.93 -1.16 0.14 0.00 0.00 0.00 0.00 32.46 32.36 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 1.10 -8.74 6.15 5.85 -1.84 -3.39 115.31 114.44 1ul4 h LEU 118 Ca -0.18 -0.02 -0.53 0.00 0.84 0.00 0.00 57.88 57.99 1ul4 h LEU 118 Cb 1.32 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1ul4 h LEU 118 CO -0.01 0.78 1.46 0.00 -0.34 0.00 0.00 178.44 180.33 1ul4 s ALA 119 N -6.07 2.30 0.00 1.25 0.00 -1.26 -4.94 121.76 113.04 1ul4 s ALA 119 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1ul4 s ALA 119 Cb 0.18 -4.19 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1ul4 s ALA 119 CO 0.82 -3.51 0.00 0.41 0.00 0.00 0.00 175.76 173.48 1ul4 n GLY 120 N 5.75 3.95 3.11 0.00 0.00 -1.26 -4.95 105.19 111.79 1ul4 n GLY 120 Ca 0.29 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1ul4 n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ul4 s HIS 121 N 1.38 3.43 -0.50 1.61 3.76 -1.26 -4.97 115.29 118.74 1ul4 s HIS 121 Ca 0.00 -2.67 0.04 0.00 -0.15 0.00 0.00 55.06 52.28 1ul4 s HIS 121 Cb 0.00 -3.24 0.17 0.00 1.11 0.00 0.00 32.58 30.62 1ul4 s HIS 121 CO 0.00 -0.85 0.39 -0.80 -0.85 0.00 0.00 174.74 172.62 1ul4 s ASN 122 N 0.79 2.43 -0.24 1.40 0.01 -1.26 -5.08 114.94 112.99 1ul4 s ASN 122 Ca 0.17 -3.30 -0.18 0.00 -0.71 0.00 0.00 52.86 48.84 1ul4 s ASN 122 Cb -0.20 -0.79 0.07 0.00 0.41 0.00 0.00 41.25 40.74 1ul4 s ASN 122 CO -0.04 -0.15 0.61 -1.61 -1.51 0.00 0.00 177.10 174.41 1ul4 s GLU 123 N -0.39 0.67 0.04 -0.60 2.02 -1.26 -5.03 118.70 114.16 1ul4 s GLU 123 Ca 0.30 0.95 0.00 0.00 0.02 0.00 0.00 54.97 56.25 1ul4 s GLU 123 Cb 0.01 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.48 1ul4 s GLU 123 CO -0.19 -0.11 0.00 -2.13 0.02 0.00 0.00 175.26 172.85 1ul4 n ARG 124 N 3.39 0.00 -4.28 1.61 0.63 -1.26 -5.12 116.66 111.64 1ul4 n ARG 124 Ca -0.17 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.43 1ul4 n ARG 124 Cb 0.57 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.33 1ul4 n ARG 124 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1ul4 s ARG 125 N -2.00 3.25 0.56 -0.14 6.06 -1.26 -5.12 118.95 120.30 1ul4 s ARG 125 Ca 0.00 -0.71 -0.05 0.00 -2.50 0.00 0.00 55.73 52.47 1ul4 s ARG 125 Cb 0.00 -2.74 0.01 0.00 0.06 0.00 0.00 34.95 32.27 1ul4 s ARG 125 CO 0.00 -0.07 0.86 1.03 -2.50 0.00 0.00 175.30 174.62 1ul4 s ARG 126 N 1.06 2.96 0.00 5.12 0.52 -1.26 -5.00 118.95 122.35 1ul4 s ARG 126 Ca -0.00 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 1ul4 s ARG 126 Cb -0.15 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.00 1ul4 s ARG 126 CO -0.03 -0.62 0.00 1.17 0.02 0.00 0.00 175.30 175.84 1ul4 n LYS 127 N -2.49 0.00 -1.09 3.54 0.00 -1.26 -5.13 118.16 111.73 1ul4 n LYS 127 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.05 1ul4 n LYS 127 Cb 0.58 -0.07 0.23 0.00 0.00 0.00 0.00 35.03 35.77 1ul4 n LYS 127 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ul4 s SER 128 N -2.80 1.11 -0.02 3.14 1.04 -1.26 -5.02 113.70 109.87 1ul4 s SER 128 Ca 0.00 0.70 -0.01 0.00 0.48 0.00 0.00 55.95 57.12 1ul4 s SER 128 Cb 0.00 -1.00 -0.01 0.00 0.10 0.00 0.00 66.02 65.11 1ul4 s SER 128 CO 0.00 -4.02 0.14 0.28 0.98 0.00 0.00 173.24 170.63 1ul4 h SER 129 N -2.51 -0.04 0.00 7.02 0.02 -2.06 -3.48 113.55 112.49 1ul4 h SER 129 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1ul4 h SER 129 Cb 1.30 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1ul4 h SER 129 CO 0.37 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.77 1ul4 n GLY 130 N 1.55 0.00 0.27 -3.77 0.00 -1.26 -5.22 105.19 96.75 1ul4 n GLY 130 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50