#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lf5 n GLY 52 N 0.00 0.85 0.14 0.72 0.00 -1.26 -4.92 105.19 100.72 3lf5 n GLY 52 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 3lf5 n GLY 52 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3lf5 h ARG 53 N 0.05 0.36 -4.70 1.61 -0.00 -1.98 -3.44 114.38 106.28 3lf5 h ARG 53 Ca -0.12 -0.45 -0.51 0.00 -0.50 0.00 0.00 59.98 58.40 3lf5 h ARG 53 Cb 0.42 0.14 -0.33 0.00 0.00 0.00 0.00 29.97 30.20 3lf5 h ARG 53 CO 0.18 1.14 -0.81 -0.51 0.00 0.00 0.00 179.97 179.97 3lf5 s LEU 54 N -7.52 1.72 0.24 3.04 1.43 -1.26 -4.72 118.68 111.61 3lf5 s LEU 54 Ca -0.05 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3lf5 s LEU 54 Cb 0.08 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.44 3lf5 s LEU 54 CO 0.87 0.06 -0.06 0.27 0.23 0.00 0.00 176.35 177.72 3lf5 s ILE 55 N 0.47 1.44 -0.07 -0.59 -4.36 -0.39 -4.97 121.20 112.73 3lf5 s ILE 55 Ca -0.11 -2.11 -0.25 0.00 -0.26 0.00 0.00 60.65 57.93 3lf5 s ILE 55 Cb -0.14 -2.29 -0.03 0.00 1.25 0.00 0.00 42.46 41.25 3lf5 s ILE 55 CO 0.03 -0.40 0.76 -0.70 0.24 0.00 0.00 174.94 174.87 3lf5 s GLU 56 N -3.75 4.44 -0.25 0.37 2.12 -1.26 -1.93 118.70 118.44 3lf5 s GLU 56 Ca 0.27 0.98 -0.06 0.00 0.36 0.00 0.00 54.97 56.52 3lf5 s GLU 56 Cb 0.03 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 3lf5 s GLU 56 CO 0.09 0.00 0.04 0.08 -0.54 0.00 0.00 175.26 174.93 3lf5 s VAL 57 N 0.99 3.98 0.59 3.70 1.01 0.08 -4.89 120.40 125.86 3lf5 s VAL 57 Ca 0.40 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 3lf5 s VAL 57 Cb -0.18 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3lf5 s VAL 57 CO 0.19 0.33 0.95 0.42 0.00 0.00 0.00 175.10 176.99 3lf5 s THR 58 N 1.56 4.22 0.25 3.92 -4.23 -1.26 -0.42 115.64 119.68 3lf5 s THR 58 Ca 0.06 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.91 3lf5 s THR 58 Cb -0.15 -3.67 0.26 0.00 1.34 0.00 0.00 72.50 70.27 3lf5 s THR 58 CO 0.01 -0.78 1.90 -0.33 -0.54 0.00 0.00 174.62 174.88 3lf5 h GLU 59 N -0.21 1.20 -0.56 3.99 4.39 -1.99 -0.66 114.58 120.74 3lf5 h GLU 59 Ca -0.45 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 3lf5 h GLU 59 Cb 1.22 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 3lf5 h GLU 59 CO 0.62 0.79 0.31 1.49 -1.16 0.00 0.00 179.01 181.06 3lf5 h GLU 60 N 1.23 0.77 -0.32 2.33 4.81 -2.00 -2.37 114.58 119.04 3lf5 h GLU 60 Ca 0.40 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 3lf5 h GLU 60 Cb 0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3lf5 h GLU 60 CO -0.13 0.59 -0.17 1.49 -0.73 0.00 0.00 179.01 180.06 3lf5 h GLU 61 N 0.75 0.67 -0.69 1.92 4.57 -1.83 -3.15 114.58 116.83 3lf5 h GLU 61 Ca 0.20 -0.30 0.07 0.00 -1.18 0.00 0.00 59.36 58.14 3lf5 h GLU 61 Cb 0.04 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 3lf5 h GLU 61 CO -0.03 0.90 0.37 1.25 -1.18 0.00 0.00 179.01 180.31 3lf5 h LEU 62 N 0.44 0.52 -2.01 1.64 5.85 -0.93 -2.07 115.31 118.75 3lf5 h LEU 62 Ca 0.07 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3lf5 h LEU 62 Cb 0.71 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 3lf5 h LEU 62 CO 0.05 0.32 -0.02 0.11 -0.34 0.00 0.00 178.44 178.56 3lf5 h LYS 63 N 0.66 0.00 0.00 1.25 1.57 -1.39 -2.04 116.57 116.62 3lf5 h LYS 63 Ca 0.32 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3lf5 h LYS 63 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3lf5 h LYS 63 CO -0.21 0.02 -0.29 0.87 -0.57 0.00 0.00 179.45 179.27 3lf5 h LYS 64 N 0.00 0.00 -3.16 3.15 1.57 -1.39 -3.36 116.57 113.38 3lf5 h LYS 64 Ca -0.00 0.00 -0.80 0.00 -1.87 0.00 0.00 60.65 57.98 3lf5 h LYS 64 Cb 0.33 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.38 3lf5 h LYS 64 CO 0.00 0.29 0.84 0.72 -0.57 0.00 0.00 179.45 180.74 3lf5 n HIS 65 N -3.49 3.05 -0.47 -1.35 8.25 -0.77 -4.65 115.22 115.80 3lf5 n HIS 65 Ca -0.00 -2.91 0.04 0.00 -0.26 0.00 0.00 57.72 54.59 3lf5 n HIS 65 Cb 0.46 -1.44 0.06 0.00 1.12 0.00 0.00 29.99 30.18 3lf5 n HIS 65 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3lf5 n ASN 66 N 1.96 2.09 -4.70 0.41 6.94 -1.12 -1.29 115.26 119.54 3lf5 n ASN 66 Ca 0.27 -2.42 -0.27 0.00 -0.02 0.00 0.00 54.58 52.14 3lf5 n ASN 66 Cb 0.35 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 37.52 3lf5 n ASN 66 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3lf5 s LYS 67 N -1.73 2.56 0.30 -3.83 -0.14 -1.13 -4.78 119.74 110.99 3lf5 s LYS 67 Ca 0.13 -0.99 0.03 0.00 -1.36 0.00 0.00 55.97 53.77 3lf5 s LYS 67 Cb 0.11 -2.47 0.60 0.00 -1.68 0.00 0.00 37.83 34.39 3lf5 s LYS 67 CO 0.01 0.48 1.86 -0.22 -0.76 0.00 0.00 175.35 176.72 3lf5 h LYS 68 N 2.75 0.92 -0.00 1.68 3.64 -1.98 -0.43 116.57 123.15 3lf5 h LYS 68 Ca -0.47 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3lf5 h LYS 68 Cb 1.20 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3lf5 h LYS 68 CO 0.60 0.61 -0.04 -0.25 -2.27 0.00 0.00 179.45 178.09 3lf5 n ASP 69 N -4.58 0.53 -2.92 4.20 8.00 -1.26 -4.22 116.55 116.30 3lf5 n ASP 69 Ca 0.18 -0.90 -0.13 0.00 0.71 0.00 0.00 54.79 54.65 3lf5 n ASP 69 Cb 0.34 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3lf5 n ASP 69 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3lf5 n ASP 70 N -0.73 -2.11 -4.15 -2.24 2.03 -0.22 -4.90 116.55 104.23 3lf5 n ASP 70 Ca 0.19 -2.99 -0.34 0.00 0.52 0.00 0.00 54.79 52.17 3lf5 n ASP 70 Cb 0.24 1.03 -0.14 0.00 -0.72 0.00 0.00 41.12 41.53 3lf5 n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3lf5 s TRP 72 N 1.23 3.25 -0.03 0.00 0.52 -0.41 -0.79 118.94 122.71 3lf5 s TRP 72 Ca -0.05 0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.35 3lf5 s TRP 72 Cb -0.19 -1.82 0.00 0.00 -1.15 0.00 0.00 33.47 30.31 3lf5 s TRP 72 CO -0.03 0.52 -0.09 0.42 0.02 0.00 0.00 176.95 177.79 3lf5 s ILE 73 N -0.90 0.82 -0.19 2.03 1.01 -0.20 -0.33 121.20 123.43 3lf5 s ILE 73 Ca 0.13 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 3lf5 s ILE 73 Cb -0.11 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 3lf5 s ILE 73 CO 0.03 0.25 0.24 0.00 0.00 0.00 0.00 174.94 175.46 3lf5 s ILE 75 N 0.68 1.45 -1.53 0.00 -1.09 0.48 -0.27 121.20 120.91 3lf5 s ILE 75 Ca 0.13 -0.75 -0.13 0.00 -2.23 0.00 0.00 60.65 57.67 3lf5 s ILE 75 Cb -0.13 -1.49 0.08 0.00 -1.58 0.00 0.00 42.46 39.34 3lf5 s ILE 75 CO 0.03 0.26 0.92 0.54 -1.23 0.00 0.00 174.94 175.46 3lf5 n ARG 76 N 4.78 -5.14 0.00 2.79 1.74 -1.26 -1.36 116.66 118.20 3lf5 n ARG 76 Ca -0.14 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3lf5 n ARG 76 Cb 0.48 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 3lf5 n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lf5 n GLY 77 N -1.66 2.28 3.76 -0.13 0.00 -1.26 -5.02 105.19 103.16 3lf5 n GLY 77 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3lf5 n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lf5 s PHE 78 N -2.62 3.53 -0.18 1.61 0.08 -0.46 -1.44 117.98 118.50 3lf5 s PHE 78 Ca 0.00 0.71 -0.06 0.00 0.12 0.00 0.00 56.93 57.71 3lf5 s PHE 78 Cb 0.00 -2.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 3lf5 s PHE 78 CO 0.00 0.34 0.02 0.08 -0.10 0.00 0.00 175.22 175.55 3lf5 s VAL 79 N 0.11 4.33 -0.02 -0.44 1.01 -0.21 -0.39 120.40 124.79 3lf5 s VAL 79 Ca 0.19 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3lf5 s VAL 79 Cb -0.14 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3lf5 s VAL 79 CO 0.07 0.46 -0.22 -0.31 0.00 0.00 0.00 175.10 175.09 3lf5 s TYR 80 N 0.52 2.01 -0.76 5.22 2.02 -0.16 -0.34 117.35 125.86 3lf5 s TYR 80 Ca 0.00 -0.40 -0.24 0.00 -0.37 0.00 0.00 57.07 56.06 3lf5 s TYR 80 Cb -0.13 -1.30 0.05 0.00 -0.40 0.00 0.00 41.96 40.18 3lf5 s TYR 80 CO 0.02 -0.05 1.18 1.21 -1.57 0.00 0.00 175.55 176.34 3lf5 s ASN 81 N -0.49 6.24 0.00 2.29 2.47 -0.26 -1.04 114.94 124.16 3lf5 s ASN 81 Ca 0.08 -0.88 0.20 0.00 0.42 0.00 0.00 52.86 52.68 3lf5 s ASN 81 Cb -0.09 -2.50 0.72 0.00 -1.45 0.00 0.00 41.25 37.93 3lf5 s ASN 81 CO -0.01 -1.60 1.53 1.33 -3.72 0.00 0.00 177.10 174.63 3lf5 n VAL 82 N 6.22 0.23 -0.32 -5.21 0.24 0.03 -4.36 118.33 115.17 3lf5 n VAL 82 Ca 0.06 -0.36 0.07 0.00 -2.04 0.00 0.00 64.34 62.07 3lf5 n VAL 82 Cb 0.48 0.38 0.23 0.00 -1.47 0.00 0.00 33.84 33.46 3lf5 n VAL 82 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3lf5 h SER 83 N 2.25 0.68 0.85 -1.34 0.02 -1.80 0.50 113.55 114.72 3lf5 h SER 83 Ca 0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3lf5 h SER 83 Cb 0.50 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 3lf5 h SER 83 CO 0.00 0.32 -0.03 -0.65 -1.14 0.00 0.00 176.83 175.33 3lf5 h PRO 84 N 0.76 0.00 0.00 3.45 0.11 -1.91 -2.81 132.00 131.59 3lf5 h PRO 84 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3lf5 h PRO 84 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3lf5 h PRO 84 CO -0.32 0.03 -0.60 -0.92 -0.21 0.00 0.00 178.00 175.98 3lf5 h TYR 85 N 0.00 0.00 -0.81 0.65 3.20 -1.22 -3.39 116.97 115.40 3lf5 h TYR 85 Ca -0.00 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.03 3lf5 h TYR 85 Cb 0.46 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.58 3lf5 h TYR 85 CO 0.00 0.00 -0.20 0.52 -1.64 0.00 0.00 178.16 176.84 3lf5 h MET 86 N 0.00 0.00 0.00 1.82 2.86 -1.12 0.11 114.93 118.60 3lf5 h MET 86 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3lf5 h MET 86 Cb 0.90 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3lf5 h MET 86 CO 0.00 0.00 0.00 -0.85 1.06 0.00 0.00 176.91 177.12 3lf5 n GLU 87 N -5.52 0.04 -0.01 1.72 0.28 -1.26 -3.34 120.64 112.55 3lf5 n GLU 87 Ca 0.12 0.17 0.05 0.00 -0.16 0.00 0.00 57.16 57.34 3lf5 n GLU 87 Cb 0.42 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.70 3lf5 n GLU 87 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3lf5 n TYR 88 N -1.47 0.00 -1.68 -1.84 4.01 0.30 -5.01 117.16 111.47 3lf5 n TYR 88 Ca 0.05 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.33 3lf5 n TYR 88 Cb 0.21 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 38.92 3lf5 n TYR 88 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3lf5 n HIS 89 N -1.92 2.39 0.23 -0.72 -0.00 -0.70 -4.85 115.22 109.65 3lf5 n HIS 89 Ca -0.03 0.01 0.06 0.00 0.46 0.00 0.00 57.72 58.23 3lf5 n HIS 89 Cb 0.32 -2.66 0.56 0.00 -0.12 0.00 0.00 29.99 28.10 3lf5 n HIS 89 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3lf5 h PRO 90 N 8.29 0.02 0.00 1.57 0.11 -1.93 -0.75 132.00 139.31 3lf5 h PRO 90 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3lf5 h PRO 90 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3lf5 h PRO 90 CO 0.93 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 179.24 3lf5 n GLY 91 N -1.26 -1.16 0.00 -0.55 0.00 -1.26 -5.02 105.19 95.94 3lf5 n GLY 91 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3lf5 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lf5 n GLY 92 N 0.96 0.32 0.15 -0.02 0.00 -0.29 -4.43 105.19 101.88 3lf5 n GLY 92 Ca 0.12 -1.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 3lf5 n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3lf5 h GLU 93 N 0.00 0.50 -0.92 1.61 5.08 -1.84 -3.11 114.58 115.90 3lf5 h GLU 93 Ca 0.00 -0.64 0.08 0.00 -1.00 0.00 0.00 59.36 57.80 3lf5 h GLU 93 Cb 0.00 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 3lf5 h GLU 93 CO 0.00 1.26 0.57 -0.44 -1.00 0.00 0.00 179.01 179.41 3lf5 h ASP 94 N 0.04 0.89 -0.24 1.42 3.32 -1.95 -0.50 116.42 119.39 3lf5 h ASP 94 Ca -0.14 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 3lf5 h ASP 94 Cb 1.65 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 3lf5 h ASP 94 CO 0.18 0.54 0.07 -0.33 -1.72 0.00 0.00 179.24 177.98 3lf5 h GLU 95 N 1.01 0.38 -0.81 3.56 4.39 -1.77 -2.68 114.58 118.66 3lf5 h GLU 95 Ca 0.42 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 3lf5 h GLU 95 Cb 0.26 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 3lf5 h GLU 95 CO -0.20 0.48 0.43 1.25 -1.16 0.00 0.00 179.01 179.80 3lf5 h LEU 96 N 0.22 1.02 -2.44 1.33 5.85 -1.38 -1.90 115.31 118.01 3lf5 h LEU 96 Ca 0.08 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3lf5 h LEU 96 Cb 0.26 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3lf5 h LEU 96 CO -0.00 0.83 0.00 0.24 -0.34 0.00 0.00 178.44 179.17 3lf5 h MET 97 N 1.13 0.00 -0.24 1.25 2.86 -0.81 -1.93 114.93 117.20 3lf5 h MET 97 Ca 0.28 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.99 3lf5 h MET 97 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3lf5 h MET 97 CO -0.04 0.00 0.21 0.00 1.06 0.00 0.00 176.91 178.14 3lf5 h ARG 98 N 0.00 0.00 -0.37 1.72 3.08 -1.02 -2.06 114.38 115.73 3lf5 h ARG 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3lf5 h ARG 98 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3lf5 h ARG 98 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3lf5 n ALA 99 N -2.45 2.36 -1.69 0.04 0.00 -0.72 -5.02 120.51 113.02 3lf5 n ALA 99 Ca 0.03 -1.02 -0.44 0.00 0.00 0.00 0.00 53.44 52.01 3lf5 n ALA 99 Cb 0.36 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 3lf5 n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lf5 n ALA 100 N 1.11 1.55 -3.07 0.00 0.00 -0.78 -2.22 120.51 117.11 3lf5 n ALA 100 Ca 0.16 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.78 3lf5 n ALA 100 Cb 0.51 -2.34 0.04 0.00 0.00 0.00 0.00 19.45 17.65 3lf5 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lf5 n GLY 101 N 2.56 -0.53 3.71 0.00 0.00 0.55 -4.81 105.19 106.68 3lf5 n GLY 101 Ca 0.13 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 3lf5 n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lf5 s SER 102 N -2.76 0.07 -0.45 1.61 1.04 -0.94 -3.98 113.70 108.30 3lf5 s SER 102 Ca 0.33 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.45 3lf5 s SER 102 Cb -0.14 0.73 0.03 0.00 0.10 0.00 0.00 66.02 66.73 3lf5 s SER 102 CO 0.41 -1.41 1.10 -0.62 0.98 0.00 0.00 173.24 173.70 3lf5 s ASP 103 N -3.05 6.67 0.00 7.02 -1.08 -1.26 -1.37 116.67 123.60 3lf5 s ASP 103 Ca 0.19 0.53 0.18 0.00 -0.52 0.00 0.00 52.55 52.92 3lf5 s ASP 103 Cb -0.03 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.41 3lf5 s ASP 103 CO 0.11 -1.16 1.44 0.61 0.52 0.00 0.00 175.17 176.68 3lf5 n GLY 104 N 4.69 1.75 0.21 2.66 0.00 0.62 -4.60 105.19 110.53 3lf5 n GLY 104 Ca 0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.44 3lf5 n GLY 104 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3lf5 h THR 105 N 3.46 1.00 -0.37 2.61 2.02 -1.90 -0.06 112.91 119.67 3lf5 h THR 105 Ca 0.00 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3lf5 h THR 105 Cb 0.79 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3lf5 h THR 105 CO 0.00 0.10 0.01 -0.33 0.37 0.00 0.00 175.52 175.68 3lf5 h GLU 106 N 0.56 0.65 -0.47 6.66 5.08 -1.94 -0.02 114.58 125.10 3lf5 h GLU 106 Ca 0.22 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3lf5 h GLU 106 Cb 0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3lf5 h GLU 106 CO -0.13 0.74 0.26 -0.07 -1.00 0.00 0.00 179.01 178.82 3lf5 h LEU 107 N 0.47 0.58 -0.56 1.33 3.38 -1.81 -1.10 115.31 117.60 3lf5 h LEU 107 Ca 0.11 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3lf5 h LEU 107 Cb 0.44 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3lf5 h LEU 107 CO 0.02 0.50 0.33 0.15 0.09 0.00 0.00 178.44 179.53 3lf5 h PHE 108 N 0.62 0.62 0.00 1.13 3.57 -0.78 -2.36 116.94 119.73 3lf5 h PHE 108 Ca 0.17 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3lf5 h PHE 108 Cb 0.05 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3lf5 h PHE 108 CO -0.02 0.34 -0.22 -0.44 -2.23 0.00 0.00 178.31 175.74 3lf5 h ASP 109 N 0.65 0.00 1.44 0.41 3.32 -0.77 -0.46 116.42 121.01 3lf5 h ASP 109 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3lf5 h ASP 109 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3lf5 h ASP 109 CO -0.11 0.22 0.00 1.56 -1.72 0.00 0.00 179.24 179.19 3lf5 h GLN 110 N 0.00 0.00 0.00 3.56 4.20 -0.67 -3.36 115.11 118.84 3lf5 h GLN 110 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3lf5 h GLN 110 Cb 0.81 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3lf5 h GLN 110 CO 0.03 0.00 -1.24 1.55 -0.67 0.00 0.00 178.83 178.50 3lf5 n VAL 111 N -2.83 0.24 -2.73 -0.54 3.14 -1.08 -4.98 118.33 109.56 3lf5 n VAL 111 Ca 0.03 -0.12 -0.06 0.00 -2.96 0.00 0.00 64.34 61.23 3lf5 n VAL 111 Cb 0.40 -0.79 0.04 0.00 -1.06 0.00 0.00 33.84 32.44 3lf5 n VAL 111 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3lf5 n HIS 112 N -2.37 -2.69 0.32 1.45 1.44 -0.20 -5.02 115.22 108.15 3lf5 n HIS 112 Ca -0.07 -1.34 0.21 0.00 -2.01 0.00 0.00 57.72 54.52 3lf5 n HIS 112 Cb 0.60 1.41 1.06 0.00 0.12 0.00 0.00 29.99 33.18 3lf5 n HIS 112 CO 0.00 0.00 0.00 0.07 -2.81 0.00 0.00 176.34 173.60 3lf5 h ARG 113 N 4.14 0.00 -0.26 -1.40 0.11 -1.70 -2.69 114.38 112.58 3lf5 h ARG 113 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3lf5 h ARG 113 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 3lf5 h ARG 113 CO 0.10 0.00 0.00 0.91 0.10 0.00 0.00 179.97 181.08 3lf5 n TRP 114 N -3.08 0.32 -1.89 4.08 7.02 -1.26 -4.95 117.44 117.68 3lf5 n TRP 114 Ca -0.02 -0.16 -0.41 0.00 -1.02 0.00 0.00 57.50 55.88 3lf5 n TRP 114 Cb 0.14 -0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.02 3lf5 n TRP 114 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3lf5 s VAL 115 N -1.63 2.29 -1.50 -0.99 1.01 -1.02 -4.88 120.40 113.68 3lf5 s VAL 115 Ca 0.34 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 3lf5 s VAL 115 Cb 0.21 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.43 3lf5 s VAL 115 CO 0.30 0.05 2.47 0.59 0.00 0.00 0.00 175.10 178.51 3lf5 n ASN 116 N 1.43 5.89 0.08 3.32 3.02 -1.26 -4.75 115.26 122.99 3lf5 n ASN 116 Ca 0.04 -2.78 -0.00 0.00 -0.03 0.00 0.00 54.58 51.81 3lf5 n ASN 116 Cb 0.39 -1.59 0.30 0.00 -0.61 0.00 0.00 39.78 38.27 3lf5 n ASN 116 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3lf5 h TYR 117 N 5.56 0.34 -0.63 3.10 -0.00 -1.98 -1.91 116.97 121.45 3lf5 h TYR 117 Ca 0.67 -0.06 -0.05 0.00 0.00 0.00 0.00 58.73 59.29 3lf5 h TYR 117 Cb 0.50 -0.09 -0.03 0.00 0.00 0.00 0.00 36.73 37.11 3lf5 h TYR 117 CO 1.60 0.51 0.19 0.93 -0.00 0.00 0.00 178.16 181.39 3lf5 h GLU 118 N 0.28 0.99 -0.02 0.10 5.08 -1.95 0.26 114.58 119.32 3lf5 h GLU 118 Ca 0.05 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 3lf5 h GLU 118 Cb 0.54 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3lf5 h GLU 118 CO 0.04 0.87 -0.13 1.03 -1.00 0.00 0.00 179.01 179.82 3lf5 h SER 119 N 0.91 0.15 -0.77 1.42 0.87 -1.95 -2.93 113.55 111.25 3lf5 h SER 119 Ca 0.20 -0.68 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 3lf5 h SER 119 Cb 0.30 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 3lf5 h SER 119 CO -0.01 0.81 0.43 -0.03 -0.53 0.00 0.00 176.83 177.50 3lf5 h MET 120 N -0.50 1.08 -0.47 2.24 1.85 -1.23 -3.03 114.93 114.87 3lf5 h MET 120 Ca -0.01 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 3lf5 h MET 120 Cb 0.81 -0.21 0.00 0.00 0.43 0.00 0.00 31.60 32.63 3lf5 h MET 120 CO 0.03 0.79 0.00 1.28 -0.40 0.00 0.00 176.91 178.61 3lf5 n LEU 121 N -4.35 4.97 -0.24 3.39 4.77 0.07 -4.66 117.00 120.95 3lf5 n LEU 121 Ca 0.08 -2.89 0.05 0.00 -0.03 0.00 0.00 56.01 53.22 3lf5 n LEU 121 Cb 0.10 -0.62 0.29 0.00 -2.33 0.00 0.00 43.42 40.86 3lf5 n LEU 121 CO 0.38 0.67 1.23 0.50 -1.33 0.00 0.00 177.39 178.84 3lf5 h LYS 122 N 3.24 0.88 0.00 3.23 1.63 -1.39 0.98 116.57 125.14 3lf5 h LYS 122 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3lf5 h LYS 122 Cb 1.72 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 3lf5 h LYS 122 CO 0.37 0.58 0.00 0.39 -3.45 0.00 0.00 179.45 177.34 3lf5 n GLU 123 N -4.48 0.17 -0.09 1.90 -0.58 -1.26 -2.78 120.64 113.52 3lf5 n GLU 123 Ca 0.12 0.11 0.07 0.00 -0.42 0.00 0.00 57.16 57.04 3lf5 n GLU 123 Cb 0.20 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.68 3lf5 n GLU 123 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lf5 s LEU 125 N -1.08 4.30 -0.11 0.00 2.96 -1.12 -1.10 118.68 122.54 3lf5 s LEU 125 Ca 0.21 2.16 -0.17 0.00 -0.22 0.00 0.00 54.13 56.11 3lf5 s LEU 125 Cb 0.13 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 43.01 3lf5 s LEU 125 CO 0.18 -0.88 0.56 0.58 -1.32 0.00 0.00 176.35 175.47 3lf5 h VAL 126 N 5.48 1.07 0.00 1.68 2.07 -0.97 -3.46 116.25 122.12 3lf5 h VAL 126 Ca -0.37 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 64.75 3lf5 h VAL 126 Cb 1.17 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 3lf5 h VAL 126 CO 0.95 0.68 0.00 0.61 0.02 0.00 0.00 177.57 179.83 3lf5 n GLY 127 N 1.72 -0.24 3.22 2.17 0.00 -1.19 -1.26 105.19 109.61 3lf5 n GLY 127 Ca -0.24 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 3lf5 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lf5 s ARG 128 N -2.00 0.95 0.35 1.61 0.52 -0.81 -1.05 118.95 118.52 3lf5 s ARG 128 Ca 0.00 -1.07 -0.28 0.00 -0.52 0.00 0.00 55.73 53.86 3lf5 s ARG 128 Cb 0.00 -1.02 -0.10 0.00 0.52 0.00 0.00 34.95 34.34 3lf5 s ARG 128 CO 0.00 0.23 1.36 -1.64 0.02 0.00 0.00 175.30 175.26 3lf5 s MET 129 N -1.95 4.27 0.68 3.54 -1.94 -0.52 -0.74 119.30 122.64 3lf5 s MET 129 Ca 0.03 2.31 -0.17 0.00 -1.71 0.00 0.00 55.69 56.15 3lf5 s MET 129 Cb -0.09 -3.03 -0.01 0.00 2.01 0.00 0.00 34.83 33.71 3lf5 s MET 129 CO 0.03 -0.30 1.07 0.00 -0.01 0.00 0.00 175.02 175.82 3lf5 n ALA 130 N 0.68 0.26 -2.42 3.03 0.00 0.45 -4.78 120.51 117.73 3lf5 n ALA 130 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 3lf5 n ALA 130 Cb 0.41 -2.18 -0.11 0.00 0.00 0.00 0.00 19.45 17.57 3lf5 n ALA 130 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3lf5 s ILE 131 N -1.65 1.75 0.39 0.00 -4.36 -1.26 -4.98 121.20 111.10 3lf5 s ILE 131 Ca 0.77 -2.02 -0.23 0.00 -0.26 0.00 0.00 60.65 58.90 3lf5 s ILE 131 Cb -0.37 -1.90 -0.10 0.00 1.25 0.00 0.00 42.46 41.34 3lf5 s ILE 131 CO 0.46 -0.44 0.96 -0.54 0.24 0.00 0.00 174.94 175.63 3lf5 s LYS 132 N -3.14 4.33 0.47 0.37 -0.14 -1.26 -4.97 119.74 115.41 3lf5 s LYS 132 Ca 0.18 1.25 0.21 0.00 -1.36 0.00 0.00 55.97 56.26 3lf5 s LYS 132 Cb -0.04 -2.45 1.22 0.00 -1.68 0.00 0.00 37.83 34.89 3lf5 s LYS 132 CO 0.06 0.05 1.90 -1.35 -0.76 0.00 0.00 175.35 175.26 3lf5 h PRO 133 N 2.43 0.24 0.00 -1.68 0.11 -2.03 -1.50 132.00 129.57 3lf5 h PRO 133 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3lf5 h PRO 133 Cb 1.19 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3lf5 h PRO 133 CO 0.63 0.16 -0.05 0.00 -0.21 0.00 0.00 178.00 178.53 3lf5 h ALA 134 N 1.63 1.52 -0.07 -0.75 0.00 -2.04 -1.87 119.26 117.68 3lf5 h ALA 134 Ca 0.40 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.28 3lf5 h ALA 134 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3lf5 h ALA 134 CO -0.09 0.06 0.11 0.28 0.00 0.00 0.00 179.25 179.60 3lf5 h VAL 135 N 0.00 0.36 -0.02 0.00 2.07 -1.66 -2.26 116.25 114.73 3lf5 h VAL 135 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3lf5 h VAL 135 Cb 0.12 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3lf5 h VAL 135 CO 0.01 0.00 -0.03 0.18 0.02 0.00 0.00 177.57 177.74 3lf5 n LEU 136 N -3.60 1.92 0.00 2.57 4.77 -0.70 -5.11 117.00 116.85 3lf5 n LEU 136 Ca -0.01 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3lf5 n LEU 136 Cb 0.20 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3lf5 n LEU 136 CO 0.25 0.32 0.21 0.29 -1.33 0.00 0.00 177.39 177.13