#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hf5 s GLU 47 N 0.00 4.40 0.00 0.00 2.02 -1.26 -4.94 118.70 118.92 2hf5 s GLU 47 Ca 0.00 0.88 0.18 0.00 0.02 0.00 0.00 54.97 56.05 2hf5 s GLU 47 Cb 0.00 -3.36 1.08 0.00 0.10 0.00 0.00 34.13 31.95 2hf5 s GLU 47 CO 0.00 0.30 1.48 1.28 0.02 0.00 0.00 175.26 178.34 2hf5 n LEU 48 N 2.87 0.00 0.01 1.80 7.99 -1.26 -2.98 117.00 125.43 2hf5 n LEU 48 Ca -0.04 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 55.99 2hf5 n LEU 48 Cb 0.51 0.00 0.40 0.00 -0.11 0.00 0.00 43.42 44.22 2hf5 n LEU 48 CO 0.45 0.00 1.10 1.56 -1.51 0.00 0.00 177.39 178.99 2hf5 h GLN 49 N 0.00 0.51 -0.12 3.23 4.20 -1.97 0.20 115.11 121.16 2hf5 h GLN 49 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2hf5 h GLN 49 Cb 0.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2hf5 h GLN 49 CO 0.00 0.39 0.07 0.22 -0.67 0.00 0.00 178.83 178.84 2hf5 h ASP 50 N 0.51 0.12 -0.19 1.46 3.58 -1.96 0.23 116.42 120.17 2hf5 h ASP 50 Ca 0.13 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2hf5 h ASP 50 Cb 0.04 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2hf5 h ASP 50 CO -0.02 0.09 0.09 -0.03 -2.88 0.00 0.00 179.24 176.49 2hf5 h MET 51 N 0.15 0.31 -0.28 0.28 4.05 -1.49 -1.83 114.93 116.12 2hf5 h MET 51 Ca 0.05 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 2hf5 h MET 51 Cb -0.01 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 2hf5 h MET 51 CO -0.02 0.26 0.04 0.82 0.23 0.00 0.00 176.91 178.25 2hf5 h ILE 52 N 0.32 1.23 -0.18 1.77 2.04 0.18 -1.04 117.51 121.83 2hf5 h ILE 52 Ca 0.08 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 2hf5 h ILE 52 Cb 0.07 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2hf5 h ILE 52 CO -0.01 0.26 -0.26 0.78 0.00 0.00 0.00 178.15 178.92 2hf5 h ASN 53 N 0.27 0.34 0.17 1.72 -0.26 -0.25 -0.39 115.58 117.17 2hf5 h ASN 53 Ca 0.08 -0.11 -0.26 0.00 -0.56 0.00 0.00 56.30 55.46 2hf5 h ASN 53 Cb 0.34 -0.09 0.02 0.00 -1.06 0.00 0.00 38.32 37.53 2hf5 h ASN 53 CO 0.01 0.60 -1.22 -0.33 -1.06 0.00 0.00 177.43 175.43 2hf5 h GLU 54 N 0.30 0.35 0.04 0.81 4.39 -1.30 -3.36 114.58 115.80 2hf5 h GLU 54 Ca 0.05 -0.60 -0.22 0.00 0.34 0.00 0.00 59.36 58.92 2hf5 h GLU 54 Cb 0.62 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2hf5 h GLU 54 CO 0.04 1.29 -1.01 0.28 -1.16 0.00 0.00 179.01 178.45 2hf5 h VAL 55 N -0.19 1.54 -2.56 3.13 2.07 -1.13 -3.44 116.25 115.66 2hf5 h VAL 55 Ca -0.23 -2.91 -0.53 0.00 0.82 0.00 0.00 66.70 63.85 2hf5 h VAL 55 Cb 1.84 2.68 0.06 0.00 -1.52 0.00 0.00 31.29 34.35 2hf5 h VAL 55 CO 0.16 0.84 1.01 -0.67 0.02 0.00 0.00 177.57 178.93 2hf5 n ASP 56 N -3.56 3.89 -0.11 0.57 2.03 -0.16 -4.89 116.55 114.32 2hf5 n ASP 56 Ca -0.04 1.05 -0.17 0.00 0.52 0.00 0.00 54.79 56.14 2hf5 n ASP 56 Cb 0.90 -1.55 -0.13 0.00 -0.72 0.00 0.00 41.12 39.62 2hf5 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hf5 n ALA 57 N 4.27 1.39 0.32 -1.67 0.00 -1.26 -4.45 120.51 119.11 2hf5 n ALA 57 Ca 0.17 -1.08 0.11 0.00 0.00 0.00 0.00 53.44 52.64 2hf5 n ALA 57 Cb 0.34 -0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 2hf5 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2hf5 n ASP 58 N -3.23 0.45 0.00 0.00 5.68 -1.26 -4.99 116.55 113.20 2hf5 n ASP 58 Ca -0.43 -0.14 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 2hf5 n ASP 58 Cb 1.01 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 42.25 2hf5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hf5 n GLY 59 N 1.31 0.43 0.02 6.12 0.00 -1.26 -4.93 105.19 106.89 2hf5 n GLY 59 Ca -0.01 -1.00 0.15 0.00 0.00 0.00 0.00 46.02 45.16 2hf5 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hf5 n ASN 60 N 1.84 0.11 0.00 1.61 0.23 -1.26 -4.89 115.26 112.90 2hf5 n ASN 60 Ca 0.00 -0.17 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2hf5 n ASN 60 Cb 0.02 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 2hf5 n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hf5 n GLY 61 N 1.31 0.85 3.85 4.83 0.00 -1.26 -5.05 105.19 109.72 2hf5 n GLY 61 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 2hf5 n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hf5 s THR 62 N -2.04 0.00 0.14 2.61 -1.32 -1.26 -4.88 115.64 108.89 2hf5 s THR 62 Ca 0.00 -1.02 -0.20 0.00 -1.21 0.00 0.00 61.69 59.26 2hf5 s THR 62 Cb 0.00 -2.02 -0.07 0.00 -1.51 0.00 0.00 72.50 68.90 2hf5 s THR 62 CO 0.00 0.00 0.65 -0.63 -2.21 0.00 0.00 174.62 172.43 2hf5 s ILE 63 N -3.91 4.64 0.54 5.08 1.01 0.17 -4.68 121.20 124.04 2hf5 s ILE 63 Ca 0.12 1.28 0.04 0.00 0.00 0.00 0.00 60.65 62.08 2hf5 s ILE 63 Cb -0.06 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.52 2hf5 s ILE 63 CO 0.07 0.42 0.29 -0.62 0.00 0.00 0.00 174.94 175.10 2hf5 s ASP 64 N -1.34 4.48 0.12 3.58 -1.08 -1.26 -2.89 116.67 118.28 2hf5 s ASP 64 Ca 0.35 -1.37 -0.24 0.00 -0.52 0.00 0.00 52.55 50.77 2hf5 s ASP 64 Cb -0.19 0.47 -0.06 0.00 -1.46 0.00 0.00 42.92 41.68 2hf5 s ASP 64 CO 0.21 -1.04 1.67 -0.26 0.52 0.00 0.00 175.17 176.27 2hf5 h PHE 65 N 0.92 -0.43 -0.65 -5.34 -1.00 -1.98 0.69 116.94 109.14 2hf5 h PHE 65 Ca -0.39 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.48 2hf5 h PHE 65 Cb 1.31 0.19 -0.06 0.00 3.61 0.00 0.00 35.95 41.00 2hf5 h PHE 65 CO 1.15 -0.24 0.34 -1.00 -1.61 0.00 0.00 178.31 176.95 2hf5 h PRO 66 N -0.26 0.59 0.25 1.51 0.13 -1.99 -2.39 132.00 129.83 2hf5 h PRO 66 Ca 0.06 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2hf5 h PRO 66 Cb 0.34 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.34 2hf5 h PRO 66 CO -0.17 0.39 -0.12 0.93 -0.23 0.00 0.00 178.00 178.80 2hf5 h GLU 67 N 0.61 -0.33 -0.33 0.86 5.08 -1.84 -1.67 114.58 116.96 2hf5 h GLU 67 Ca 0.31 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.71 2hf5 h GLU 67 Cb 0.25 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2hf5 h GLU 67 CO -0.22 -0.07 0.16 0.35 -1.00 0.00 0.00 179.01 178.23 2hf5 h PHE 68 N -0.56 0.29 -0.35 4.33 3.57 -0.81 -1.31 116.94 122.09 2hf5 h PHE 68 Ca -0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2hf5 h PHE 68 Cb 0.41 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2hf5 h PHE 68 CO -0.00 0.15 0.08 -0.07 -2.23 0.00 0.00 178.31 176.24 2hf5 h LEU 69 N 0.33 0.54 -0.13 0.59 -0.00 -1.45 -1.72 115.31 113.47 2hf5 h LEU 69 Ca 0.14 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.77 2hf5 h LEU 69 Cb 0.07 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.58 2hf5 h LEU 69 CO -0.11 0.64 0.01 0.74 -0.00 0.00 0.00 178.44 179.72 2hf5 h THR 70 N 0.42 1.24 -0.20 0.22 2.02 -1.02 -0.62 112.91 114.97 2hf5 h THR 70 Ca 0.11 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2hf5 h THR 70 Cb 0.31 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2hf5 h THR 70 CO 0.00 0.22 -0.15 0.24 0.37 0.00 0.00 175.52 176.21 2hf5 h MET 71 N -0.03 0.32 0.02 6.66 2.86 -1.27 0.31 114.93 123.80 2hf5 h MET 71 Ca 0.04 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2hf5 h MET 71 Cb 0.34 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2hf5 h MET 71 CO 0.00 0.48 -0.01 1.98 1.06 0.00 0.00 176.91 180.42 2hf5 h MET 72 N 0.30 -0.03 0.00 1.72 -1.53 -1.12 -3.29 114.93 110.99 2hf5 h MET 72 Ca 0.06 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.32 2hf5 h MET 72 Cb 0.45 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.50 2hf5 h MET 72 CO 0.03 -0.02 0.17 0.00 0.14 0.00 0.00 176.91 177.23 2hf5 h ALA 73 N -1.94 1.12 -1.00 0.39 0.00 -0.93 -1.54 119.26 115.35 2hf5 h ALA 73 Ca -0.00 0.00 0.39 0.00 0.00 0.00 0.00 54.91 55.30 2hf5 h ALA 73 Cb 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.64 2hf5 h ALA 73 CO 0.00 -0.12 0.55 -0.09 0.00 0.00 0.00 179.25 179.60 2hf5 h ARG 74 N 0.00 0.09 0.00 0.00 2.43 -0.45 -3.32 114.38 113.13 2hf5 h ARG 74 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2hf5 h ARG 74 Cb 0.34 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2hf5 h ARG 74 CO 0.00 0.06 -0.52 0.36 -1.51 0.00 0.00 179.97 178.36 2hf5 n LYS 75 N -5.20 0.00 -3.89 0.20 2.85 -0.98 -5.07 118.16 106.08 2hf5 n LYS 75 Ca 0.36 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.27 2hf5 n LYS 75 Cb 1.21 -0.59 -0.14 0.00 -0.65 0.00 0.00 35.03 34.87 2hf5 n LYS 75 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2hf5 s MET 76 N -1.68 3.06 -0.27 -1.58 0.00 -0.62 -5.07 119.30 113.15 2hf5 s MET 76 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 55.69 54.80 2hf5 s MET 76 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 34.83 31.73 2hf5 s MET 76 CO 0.00 -0.36 0.02 0.21 0.00 0.00 0.00 175.02 174.90 2hf5 s LYS 77 N 1.42 3.10 0.00 4.11 2.47 -1.26 -2.77 119.74 126.81 2hf5 s LYS 77 Ca 0.02 -0.83 0.00 0.00 -1.56 0.00 0.00 55.97 53.60 2hf5 s LYS 77 Cb -0.16 -3.21 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 2hf5 s LYS 77 CO -0.02 -0.38 0.16 -0.40 0.16 0.00 0.00 175.35 174.87 2hf5 n ASP 78 N 4.81 0.28 -4.86 1.43 5.75 -1.26 -5.09 116.55 117.60 2hf5 n ASP 78 Ca -0.16 -1.01 -0.32 0.00 -0.01 0.00 0.00 54.79 53.29 2hf5 n ASP 78 Cb 0.48 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.52 2hf5 n ASP 78 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2hf5 s THR 79 N -0.01 4.83 0.00 2.12 -4.23 -1.26 -5.09 115.64 112.00 2hf5 s THR 79 Ca 0.00 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2hf5 s THR 79 Cb 0.00 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.23 2hf5 s THR 79 CO 0.00 -0.12 0.00 0.47 -0.54 0.00 0.00 174.62 174.43 2hf5 n ASP 80 N -0.23 0.00 -4.23 3.99 8.00 -1.26 -5.06 116.55 117.75 2hf5 n ASP 80 Ca 0.02 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.22 2hf5 n ASP 80 Cb 0.53 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.80 2hf5 n ASP 80 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2hf5 s SER 81 N -1.22 3.11 0.58 -2.24 0.15 -1.26 -4.81 113.70 108.01 2hf5 s SER 81 Ca 0.00 0.40 0.28 0.00 0.70 0.00 0.00 55.95 57.33 2hf5 s SER 81 Cb 0.00 -0.54 1.71 0.00 -1.71 0.00 0.00 66.02 65.48 2hf5 s SER 81 CO 0.00 -2.75 2.18 -0.08 1.20 0.00 0.00 173.24 173.80 2hf5 h GLU 82 N -1.65 0.00 -0.61 5.44 4.81 -1.99 0.03 114.58 120.61 2hf5 h GLU 82 Ca -0.45 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.89 2hf5 h GLU 82 Cb 1.26 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 2hf5 h GLU 82 CO 0.42 0.00 0.18 0.93 -0.73 0.00 0.00 179.01 179.81 2hf5 h GLU 83 N 0.00 0.32 -0.67 1.92 4.39 -1.99 0.49 114.58 119.04 2hf5 h GLU 83 Ca 0.04 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 2hf5 h GLU 83 Cb 0.21 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2hf5 h GLU 83 CO -0.00 0.21 0.12 1.49 -1.16 0.00 0.00 179.01 179.67 2hf5 h GLU 84 N 0.33 1.11 -0.85 2.33 4.57 -1.30 -1.29 114.58 119.47 2hf5 h GLU 84 Ca 0.32 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2hf5 h GLU 84 Cb 0.44 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 2hf5 h GLU 84 CO -0.36 1.00 0.43 0.82 -1.18 0.00 0.00 179.01 179.72 2hf5 h ILE 85 N 1.04 1.25 -0.42 2.32 1.08 -1.02 -1.42 117.51 120.35 2hf5 h ILE 85 Ca 0.21 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 2hf5 h ILE 85 Cb 0.43 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 2hf5 h ILE 85 CO 0.01 0.30 0.21 0.03 -0.69 0.00 0.00 178.15 178.01 2hf5 h ARG 86 N 1.20 0.60 0.00 2.37 3.08 0.68 -0.78 114.38 121.53 2hf5 h ARG 86 Ca 0.30 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 2hf5 h ARG 86 Cb 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2hf5 h ARG 86 CO -0.04 0.50 -0.26 1.49 -1.07 0.00 0.00 179.97 180.59 2hf5 h GLU 87 N 0.54 0.00 -0.13 0.04 4.81 -1.07 -2.50 114.58 116.27 2hf5 h GLU 87 Ca 0.15 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2hf5 h GLU 87 Cb 0.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2hf5 h GLU 87 CO -0.02 0.26 -0.04 0.00 -0.73 0.00 0.00 179.01 178.48 2hf5 h ALA 88 N 1.74 0.18 -0.77 2.92 0.00 -0.25 -1.76 119.26 121.31 2hf5 h ALA 88 Ca -0.00 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.78 2hf5 h ALA 88 Cb 0.55 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2hf5 h ALA 88 CO 0.03 -0.07 0.50 0.74 0.00 0.00 0.00 179.25 180.46 2hf5 h PHE 89 N -0.07 0.69 -0.08 0.00 -1.00 -0.85 0.55 116.94 116.19 2hf5 h PHE 89 Ca 0.03 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 2hf5 h PHE 89 Cb 0.46 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 2hf5 h PHE 89 CO 0.05 0.31 0.02 0.00 -1.61 0.00 0.00 178.31 177.09 2hf5 h ARG 90 N 0.64 0.13 0.07 1.51 3.08 -1.21 -3.34 114.38 115.25 2hf5 h ARG 90 Ca 0.36 -0.03 -0.30 0.00 0.07 0.00 0.00 59.98 60.08 2hf5 h ARG 90 Cb 0.53 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2hf5 h ARG 90 CO -0.13 0.32 -1.58 0.28 -1.07 0.00 0.00 179.97 177.79 2hf5 h VAL 91 N -0.08 1.06 -0.11 2.04 2.07 -0.39 -3.32 116.25 117.52 2hf5 h VAL 91 Ca 0.02 -2.79 0.00 0.00 0.82 0.00 0.00 66.70 64.75 2hf5 h VAL 91 Cb 0.25 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2hf5 h VAL 91 CO 0.00 0.74 0.00 0.49 0.02 0.00 0.00 177.57 178.82 2hf5 n PHE 92 N -3.31 0.25 -4.33 1.57 3.01 0.18 -4.72 117.46 110.10 2hf5 n PHE 92 Ca -0.16 -0.10 -0.22 0.00 1.01 0.00 0.00 57.45 57.97 2hf5 n PHE 92 Cb 1.03 -0.08 -0.13 0.00 -0.01 0.00 0.00 39.48 40.29 2hf5 n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2hf5 s ASP 93 N -0.58 2.19 0.11 4.37 -1.08 -1.25 -3.50 116.67 116.93 2hf5 s ASP 93 Ca 0.09 -0.60 -0.18 0.00 -0.52 0.00 0.00 52.55 51.33 2hf5 s ASP 93 Cb 0.06 -0.13 -0.05 0.00 -1.46 0.00 0.00 42.92 41.34 2hf5 s ASP 93 CO 0.04 0.04 1.65 0.11 0.52 0.00 0.00 175.17 177.54 2hf5 h LYS 94 N 4.40 0.42 -0.26 4.34 1.57 -1.85 -3.24 116.57 121.96 2hf5 h LYS 94 Ca -0.43 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2hf5 h LYS 94 Cb 1.18 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2hf5 h LYS 94 CO 0.41 0.44 0.00 -0.40 -0.57 0.00 0.00 179.45 179.34 2hf5 n ASP 95 N -4.75 3.45 -3.89 0.86 5.75 -1.26 -4.98 116.55 111.72 2hf5 n ASP 95 Ca -0.02 -2.71 -0.30 0.00 -0.01 0.00 0.00 54.79 51.74 2hf5 n ASP 95 Cb 0.13 -0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 39.75 2hf5 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hf5 n GLY 96 N -0.30 -0.45 0.62 6.12 0.00 -1.23 -4.80 105.19 105.16 2hf5 n GLY 96 Ca 0.18 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2hf5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hf5 n ASN 97 N -2.31 1.23 -0.35 1.61 6.94 -1.26 -4.74 115.26 116.37 2hf5 n ASN 97 Ca 0.06 -1.66 -0.04 0.00 -0.02 0.00 0.00 54.58 52.92 2hf5 n ASN 97 Cb 0.49 -0.41 -0.01 0.00 -2.36 0.00 0.00 39.78 37.48 2hf5 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hf5 n GLY 98 N 0.21 0.61 3.25 4.83 0.00 -1.26 -5.01 105.19 107.81 2hf5 n GLY 98 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 2hf5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hf5 s TYR 99 N -2.17 -0.15 -0.27 1.61 2.02 -1.26 -4.93 117.35 112.20 2hf5 s TYR 99 Ca 0.00 0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.84 2hf5 s TYR 99 Cb 0.00 0.10 0.04 0.00 -0.40 0.00 0.00 41.96 41.70 2hf5 s TYR 99 CO 0.00 -0.44 -0.04 0.42 -1.57 0.00 0.00 175.55 173.92 2hf5 s ILE 100 N -1.85 2.84 0.48 2.71 1.01 -1.14 -4.55 121.20 120.71 2hf5 s ILE 100 Ca -0.10 -1.22 0.06 0.00 0.00 0.00 0.00 60.65 59.39 2hf5 s ILE 100 Cb -0.03 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.90 2hf5 s ILE 100 CO 0.01 0.06 0.32 -0.55 0.00 0.00 0.00 174.94 174.78 2hf5 s SER 101 N 1.27 4.62 -0.01 3.58 0.15 -1.26 -0.66 113.70 121.39 2hf5 s SER 101 Ca -0.03 -1.14 -0.24 0.00 0.70 0.00 0.00 55.95 55.25 2hf5 s SER 101 Cb -0.18 0.01 -0.16 0.00 -1.71 0.00 0.00 66.02 63.97 2hf5 s SER 101 CO -0.03 -0.86 1.13 0.00 1.20 0.00 0.00 173.24 174.68 2hf5 h ALA 102 N 1.02 -0.32 -0.97 5.45 0.00 -1.90 0.26 119.26 122.79 2hf5 h ALA 102 Ca -0.40 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 54.55 2hf5 h ALA 102 Cb 1.28 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 2hf5 h ALA 102 CO 0.62 -0.46 0.64 0.00 0.00 0.00 0.00 179.25 180.05 2hf5 h ALA 103 N -0.18 2.25 -0.37 0.00 0.00 -1.98 0.14 119.26 119.11 2hf5 h ALA 103 Ca -0.03 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2hf5 h ALA 103 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2hf5 h ALA 103 CO 0.05 -0.58 -0.37 0.93 0.00 0.00 0.00 179.25 179.28 2hf5 h GLU 104 N 0.39 0.89 -0.37 0.00 4.39 -1.75 -2.40 114.58 115.73 2hf5 h GLU 104 Ca 0.53 -0.45 0.02 0.00 0.34 0.00 0.00 59.36 59.79 2hf5 h GLU 104 Cb 1.35 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 2hf5 h GLU 104 CO -0.22 1.10 0.22 -0.07 -1.16 0.00 0.00 179.01 178.88 2hf5 h LEU 105 N 0.73 0.35 -0.60 1.33 3.38 0.14 -1.58 115.31 119.06 2hf5 h LEU 105 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2hf5 h LEU 105 Cb 0.95 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2hf5 h LEU 105 CO 0.09 0.25 -0.05 0.08 0.09 0.00 0.00 178.44 178.91 2hf5 h ARG 106 N 0.44 1.06 -0.47 1.13 0.11 -1.21 0.67 114.38 116.11 2hf5 h ARG 106 Ca 0.15 -0.36 0.10 0.00 0.10 0.00 0.00 59.98 59.96 2hf5 h ARG 106 Cb 0.01 -0.08 -0.10 0.00 1.11 0.00 0.00 29.97 30.90 2hf5 h ARG 106 CO -0.07 1.06 -0.22 1.25 0.10 0.00 0.00 179.97 182.09 2hf5 h HIS 107 N 0.96 -0.55 0.17 4.08 2.76 -1.02 0.30 115.15 121.85 2hf5 h HIS 107 Ca 0.16 0.05 -0.35 0.00 -2.20 0.00 0.00 60.37 58.03 2hf5 h HIS 107 Cb 0.61 0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2hf5 h HIS 107 CO 0.04 -0.30 -1.81 -0.24 -1.30 0.00 0.00 177.93 174.32 2hf5 h VAL 108 N -0.12 0.84 0.02 5.26 3.04 -0.86 -3.36 116.25 121.07 2hf5 h VAL 108 Ca 0.22 -2.45 -0.00 0.00 -1.01 0.00 0.00 66.70 63.46 2hf5 h VAL 108 Cb 0.46 2.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.42 2hf5 h VAL 108 CO -0.55 0.86 -0.01 -0.03 -1.01 0.00 0.00 177.57 176.84 2hf5 h MET 109 N 0.07 -0.03 0.00 4.17 -1.53 0.35 -3.46 114.93 114.51 2hf5 h MET 109 Ca -0.37 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 55.89 2hf5 h MET 109 Cb 2.06 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 33.12 2hf5 h MET 109 CO 0.14 -0.02 -0.45 -2.37 0.14 0.00 0.00 176.91 174.36 2hf5 n THR 110 N -2.14 0.00 -2.43 -0.77 5.66 -1.13 -5.06 114.28 108.41 2hf5 n THR 110 Ca -0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 2hf5 n THR 110 Cb 0.01 -0.24 0.03 0.00 -1.55 0.00 0.00 70.33 68.58 2hf5 n THR 110 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2hf5 n ASN 111 N -1.96 0.37 -4.82 1.09 4.13 0.10 -5.01 115.26 109.17 2hf5 n ASN 111 Ca 0.00 -1.30 -0.37 0.00 1.68 0.00 0.00 54.58 54.59 2hf5 n ASN 111 Cb 0.22 -0.16 -0.06 0.00 -1.54 0.00 0.00 39.78 38.24 2hf5 n ASN 111 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2hf5 s LEU 112 N 0.00 4.37 0.00 3.41 1.02 -1.26 -3.94 118.68 122.29 2hf5 s LEU 112 Ca 0.17 0.64 0.14 0.00 0.02 0.00 0.00 54.13 55.09 2hf5 s LEU 112 Cb -0.01 -2.33 0.11 0.00 0.02 0.00 0.00 46.19 43.98 2hf5 s LEU 112 CO 0.11 0.29 0.93 0.61 0.02 0.00 0.00 176.35 178.31