#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 3.49 0.16 0.00 2.02 -1.26 -5.02 118.70 118.09 2hf5 s GLU 47 Ca 0.00 -0.46 0.10 0.00 0.02 0.00 0.00 54.97 54.63 2hf5 s GLU 47 Cb 0.00 -2.86 -0.12 0.00 0.10 0.00 0.00 34.13 31.24 2hf5 s GLU 47 CO 0.00 0.41 1.29 -0.07 0.02 0.00 0.00 175.26 176.92 2hf5 h LEU 48 N 1.83 0.00 -0.88 1.80 -0.00 -1.99 -3.11 115.31 112.95 2hf5 h LEU 48 Ca -0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.34 2hf5 h LEU 48 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.83 2hf5 h LEU 48 CO 0.67 0.84 0.23 -0.61 -0.00 0.00 0.00 178.44 179.56 2hf5 h GLN 49 N 0.00 1.05 -0.61 1.13 4.15 -1.98 -0.50 115.11 118.36 2hf5 h GLN 49 Ca -0.02 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 2hf5 h GLN 49 Cb 1.66 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 29.16 2hf5 h GLN 49 CO 0.11 0.89 0.35 0.22 -1.93 0.00 0.00 178.83 178.47 2hf5 h ASP 50 N 1.02 0.74 -0.71 -0.69 3.58 -1.98 -1.77 116.42 116.61 2hf5 h ASP 50 Ca 0.23 -0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.65 2hf5 h ASP 50 Cb 0.27 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 2hf5 h ASP 50 CO -0.01 0.60 0.47 -0.03 -2.88 0.00 0.00 179.24 177.38 2hf5 h MET 51 N 0.82 0.81 -0.35 0.28 4.05 -1.32 -1.62 114.93 117.60 2hf5 h MET 51 Ca 0.22 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2hf5 h MET 51 Cb 0.00 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 2hf5 h MET 51 CO -0.04 0.53 0.20 0.82 0.23 0.00 0.00 176.91 178.66 2hf5 h ILE 52 N 0.83 1.13 0.00 1.77 2.04 -0.28 -1.68 117.51 121.32 2hf5 h ILE 52 Ca 0.29 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2hf5 h ILE 52 Cb 0.10 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2hf5 h ILE 52 CO -0.08 0.13 -0.07 0.78 0.00 0.00 0.00 178.15 178.90 2hf5 h ASN 53 N 0.45 0.00 0.14 1.72 2.35 -0.65 0.25 115.58 119.84 2hf5 h ASN 53 Ca 0.12 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.67 2hf5 h ASN 53 Cb 0.03 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.42 2hf5 h ASN 53 CO -0.02 0.07 -0.88 -0.33 -1.65 0.00 0.00 177.43 174.62 2hf5 h GLU 54 N 0.00 0.34 0.00 0.81 5.08 -0.88 -3.41 114.58 116.53 2hf5 h GLU 54 Ca -0.00 -0.56 -0.35 0.00 -1.00 0.00 0.00 59.36 57.45 2hf5 h GLU 54 Cb 0.49 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 2hf5 h GLU 54 CO 0.01 1.26 -2.21 0.28 -1.00 0.00 0.00 179.01 177.35 2hf5 n VAL 55 N -4.08 1.47 -2.03 3.13 0.31 -0.67 -4.87 118.33 111.59 2hf5 n VAL 55 Ca -0.14 -0.81 -0.42 0.00 -0.01 0.00 0.00 64.34 62.95 2hf5 n VAL 55 Cb 0.85 -0.72 -0.03 0.00 -0.91 0.00 0.00 33.84 33.02 2hf5 n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2hf5 s ASP 56 N -5.77 6.69 -0.06 4.52 2.15 0.86 -4.87 116.67 120.19 2hf5 s ASP 56 Ca -0.11 2.30 0.19 0.00 0.43 0.00 0.00 52.55 55.37 2hf5 s ASP 56 Cb 0.07 -2.55 -0.25 0.00 -0.30 0.00 0.00 42.92 39.89 2hf5 s ASP 56 CO 0.81 -0.86 0.43 0.00 -0.17 0.00 0.00 175.17 175.38 2hf5 n ALA 57 N 6.05 2.13 0.07 3.66 0.00 -1.26 -4.35 120.51 126.81 2hf5 n ALA 57 Ca 0.16 -0.81 0.01 0.00 0.00 0.00 0.00 53.44 52.79 2hf5 n ALA 57 Cb 0.42 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.59 0.81 -1.53 0.00 5.75 -1.26 -5.01 116.55 112.71 2hf5 n ASP 58 Ca -0.16 -0.91 -0.12 0.00 -0.01 0.00 0.00 54.79 53.60 2hf5 n ASP 58 Cb 0.84 0.30 0.01 0.00 -1.03 0.00 0.00 41.12 41.24 2hf5 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hf5 n GLY 59 N 0.38 -0.07 0.56 6.12 0.00 -1.26 -4.91 105.19 106.02 2hf5 n GLY 59 Ca 0.01 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.42 1.79 0.00 1.61 6.94 -1.26 -4.92 115.26 119.00 2hf5 n ASN 60 Ca -0.11 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 2hf5 n ASN 60 Cb 0.59 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 2hf5 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hf5 n GLY 61 N 1.23 0.47 3.80 4.83 0.00 -1.26 -5.03 105.19 109.23 2hf5 n GLY 61 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.03 0.00 0.03 2.61 -1.32 -1.26 -4.62 115.64 109.05 2hf5 s THR 62 Ca 0.00 -1.06 -0.11 0.00 -1.21 0.00 0.00 61.69 59.31 2hf5 s THR 62 Cb 0.00 -2.50 -0.05 0.00 -1.51 0.00 0.00 72.50 68.43 2hf5 s THR 62 CO 0.00 0.00 0.37 -0.51 -2.21 0.00 0.00 174.62 172.27 2hf5 s ILE 63 N -3.04 5.13 0.55 5.08 2.07 0.14 -4.61 121.20 126.50 2hf5 s ILE 63 Ca 0.15 0.54 0.04 0.00 -1.41 0.00 0.00 60.65 59.96 2hf5 s ILE 63 Cb -0.05 -3.64 0.03 0.00 0.13 0.00 0.00 42.46 38.93 2hf5 s ILE 63 CO 0.10 0.42 0.29 -1.81 -1.91 0.00 0.00 174.94 172.03 2hf5 s ASP 64 N -1.46 4.47 0.12 4.50 1.11 -1.26 -3.18 116.67 120.97 2hf5 s ASP 64 Ca 0.28 -1.41 -0.24 0.00 0.18 0.00 0.00 52.55 51.36 2hf5 s ASP 64 Cb -0.15 0.55 -0.06 0.00 1.07 0.00 0.00 42.92 44.33 2hf5 s ASP 64 CO 0.15 -1.07 1.67 -0.26 1.18 0.00 0.00 175.17 176.83 2hf5 h PHE 65 N 0.89 -0.44 -0.33 4.23 0.04 -1.99 0.21 116.94 119.56 2hf5 h PHE 65 Ca -0.39 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.47 2hf5 h PHE 65 Cb 1.31 0.20 -0.07 0.00 2.20 0.00 0.00 35.95 39.59 2hf5 h PHE 65 CO 1.21 -0.25 -0.12 -1.00 -0.60 0.00 0.00 178.31 177.55 2hf5 h PRO 66 N -0.27 -0.05 0.22 1.51 0.13 -1.99 -0.89 132.00 130.66 2hf5 h PRO 66 Ca 0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 2hf5 h PRO 66 Cb 0.35 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2hf5 h PRO 66 CO -0.17 -0.03 -0.11 0.93 -0.23 0.00 0.00 178.00 178.39 2hf5 h GLU 67 N -0.05 -0.29 -0.11 0.86 5.08 -1.87 -1.20 114.58 117.01 2hf5 h GLU 67 Ca 0.16 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2hf5 h GLU 67 Cb 0.30 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2hf5 h GLU 67 CO -0.36 -0.20 0.06 0.35 -1.00 0.00 0.00 179.01 177.86 2hf5 h PHE 68 N -0.30 0.15 -0.49 4.33 3.57 -0.40 0.10 116.94 123.89 2hf5 h PHE 68 Ca -0.03 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.49 2hf5 h PHE 68 Cb 0.23 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2hf5 h PHE 68 CO -0.06 0.17 0.29 -0.07 -2.23 0.00 0.00 178.31 176.41 2hf5 h LEU 69 N 0.08 0.47 -1.17 0.59 -0.00 -1.17 -1.96 115.31 112.16 2hf5 h LEU 69 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.87 2hf5 h LEU 69 Cb 0.07 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.61 2hf5 h LEU 69 CO -0.01 0.33 0.05 0.74 -0.00 0.00 0.00 178.44 179.56 2hf5 h THR 70 N 0.58 1.20 -0.82 0.22 2.02 -0.85 0.53 112.91 115.79 2hf5 h THR 70 Ca 0.20 -0.78 0.15 0.00 0.77 0.00 0.00 66.41 66.75 2hf5 h THR 70 Cb 0.02 0.84 -0.09 0.00 -1.74 0.00 0.00 68.15 67.18 2hf5 h THR 70 CO -0.09 0.28 0.40 0.24 0.37 0.00 0.00 175.52 176.72 2hf5 h MET 71 N 0.60 0.55 0.26 6.66 2.86 -0.04 0.36 114.93 126.19 2hf5 h MET 71 Ca 0.13 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2hf5 h MET 71 Cb 0.31 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2hf5 h MET 71 CO 0.01 0.37 -0.12 1.98 1.06 0.00 0.00 176.91 180.20 2hf5 h MET 72 N 0.57 -0.33 0.00 1.72 -1.53 -0.96 -3.31 114.93 111.09 2hf5 h MET 72 Ca 0.45 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.73 2hf5 h MET 72 Cb 0.65 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.78 2hf5 h MET 72 CO -0.37 -0.22 0.23 0.00 0.14 0.00 0.00 176.91 176.68 2hf5 n ALA 73 N -2.69 0.39 -0.33 0.39 0.00 0.18 -3.76 120.51 114.68 2hf5 n ALA 73 Ca -0.04 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.57 2hf5 n ALA 73 Cb 0.14 -0.34 0.38 0.00 0.00 0.00 0.00 19.45 19.63 2hf5 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hf5 h ARG 74 N 0.00 0.47 0.00 0.00 3.08 -0.36 -3.25 114.38 114.31 2hf5 h ARG 74 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2hf5 h ARG 74 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2hf5 h ARG 74 CO 0.00 0.31 -0.65 1.63 -1.07 0.00 0.00 179.97 180.19 2hf5 n LYS 75 N -4.96 0.20 -4.28 0.04 5.02 -1.25 -5.03 118.16 107.90 2hf5 n LYS 75 Ca 0.27 0.08 -0.35 0.00 -2.02 0.00 0.00 58.31 56.29 2hf5 n LYS 75 Cb 0.77 -0.85 -0.10 0.00 -0.02 0.00 0.00 35.03 34.83 2hf5 n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hf5 s MET 76 N -2.30 3.36 -0.34 1.97 0.23 -1.23 -5.09 119.30 115.91 2hf5 s MET 76 Ca -0.12 -0.41 -0.12 0.00 -1.03 0.00 0.00 55.69 54.02 2hf5 s MET 76 Cb 0.02 -2.92 -0.01 0.00 -1.53 0.00 0.00 34.83 30.39 2hf5 s MET 76 CO 0.16 0.52 0.22 0.21 -2.03 0.00 0.00 175.02 174.10 2hf5 s LYS 77 N -0.36 3.39 -0.30 3.16 2.36 -1.26 -2.95 119.74 123.78 2hf5 s LYS 77 Ca 0.07 -0.71 -0.08 0.00 -2.55 0.00 0.00 55.97 52.70 2hf5 s LYS 77 Cb -0.12 -3.74 0.19 0.00 -1.05 0.00 0.00 37.83 33.11 2hf5 s LYS 77 CO 0.02 -0.46 0.97 0.34 1.55 0.00 0.00 175.35 177.76 2hf5 s ASP 78 N 1.68 -0.63 0.47 1.43 -1.08 -1.26 -5.04 116.67 112.24 2hf5 s ASP 78 Ca 0.05 0.09 0.02 0.00 -0.52 0.00 0.00 52.55 52.20 2hf5 s ASP 78 Cb -0.17 1.41 -0.02 0.00 -1.46 0.00 0.00 42.92 42.67 2hf5 s ASP 78 CO 0.09 -0.12 0.03 -0.89 0.52 0.00 0.00 175.17 174.80 2hf5 s THR 79 N 2.93 1.16 0.00 1.71 2.01 -1.26 -5.04 115.64 117.15 2hf5 s THR 79 Ca 0.23 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.23 2hf5 s THR 79 Cb -0.04 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2hf5 s THR 79 CO -0.23 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.03 2hf5 n ASP 80 N -1.22 -0.27 -4.77 3.53 -0.08 -1.26 -5.04 116.55 107.44 2hf5 n ASP 80 Ca -0.14 -0.49 -0.32 0.00 -1.51 0.00 0.00 54.79 52.32 2hf5 n ASP 80 Cb 0.67 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.19 2hf5 n ASP 80 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2hf5 s SER 81 N -1.22 4.82 0.44 1.67 1.04 -1.26 -4.89 113.70 114.31 2hf5 s SER 81 Ca 0.00 1.92 0.21 0.00 0.48 0.00 0.00 55.95 58.56 2hf5 s SER 81 Cb 0.00 -2.54 1.03 0.00 0.10 0.00 0.00 66.02 64.62 2hf5 s SER 81 CO 0.00 -1.82 1.91 -0.33 0.98 0.00 0.00 173.24 173.98 2hf5 h GLU 82 N -0.51 0.00 0.00 4.02 5.08 -1.98 -2.07 114.58 119.12 2hf5 h GLU 82 Ca -0.45 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.77 2hf5 h GLU 82 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2hf5 h GLU 82 CO 0.53 0.25 -0.66 0.93 -1.00 0.00 0.00 179.01 179.05 2hf5 h GLU 83 N 0.00 0.00 -0.38 2.33 5.08 -1.98 0.47 114.58 120.10 2hf5 h GLU 83 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2hf5 h GLU 83 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2hf5 h GLU 83 CO 0.03 0.66 -0.34 0.93 -1.00 0.00 0.00 179.01 179.30 2hf5 h GLU 84 N 0.00 0.89 -0.82 2.33 4.39 -1.83 -1.50 114.58 118.05 2hf5 h GLU 84 Ca -0.01 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2hf5 h GLU 84 Cb 1.23 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 2hf5 h GLU 84 CO 0.09 1.11 0.51 0.82 -1.16 0.00 0.00 179.01 180.38 2hf5 h ILE 85 N 0.70 1.22 -0.57 3.13 1.08 -0.84 0.28 117.51 122.51 2hf5 h ILE 85 Ca 0.06 -0.45 -0.05 0.00 -0.39 0.00 0.00 64.86 64.03 2hf5 h ILE 85 Cb 0.92 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 2hf5 h ILE 85 CO 0.09 0.22 0.14 0.03 -0.69 0.00 0.00 178.15 177.93 2hf5 h ARG 86 N 1.11 0.89 -0.10 2.37 3.08 0.04 0.54 114.38 122.31 2hf5 h ARG 86 Ca 0.30 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 2hf5 h ARG 86 Cb -0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2hf5 h ARG 86 CO -0.06 0.80 -0.54 1.49 -1.07 0.00 0.00 179.97 180.59 2hf5 h GLU 87 N 0.85 0.27 -0.71 0.04 4.81 -0.58 -2.15 114.58 117.12 2hf5 h GLU 87 Ca 0.18 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2hf5 h GLU 87 Cb 0.31 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2hf5 h GLU 87 CO -0.00 0.74 0.17 0.00 -0.73 0.00 0.00 179.01 179.19 2hf5 h ALA 88 N 1.23 0.93 -0.12 2.92 0.00 0.34 -0.47 119.26 124.09 2hf5 h ALA 88 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2hf5 h ALA 88 Cb 1.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2hf5 h ALA 88 CO 0.08 0.66 0.08 0.74 0.00 0.00 0.00 179.25 180.81 2hf5 h PHE 89 N 1.07 0.10 0.00 0.00 -1.00 -0.42 0.52 116.94 117.22 2hf5 h PHE 89 Ca 0.22 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.77 2hf5 h PHE 89 Cb 0.38 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.91 2hf5 h PHE 89 CO 0.03 0.06 -0.95 0.00 -1.61 0.00 0.00 178.31 175.84 2hf5 h ARG 90 N 0.11 0.42 0.04 1.51 3.08 -0.74 -3.07 114.38 115.72 2hf5 h ARG 90 Ca 0.05 -0.45 -0.07 0.00 0.07 0.00 0.00 59.98 59.57 2hf5 h ARG 90 Cb 0.05 0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.24 2hf5 h ARG 90 CO -0.01 1.12 -0.29 0.28 -1.07 0.00 0.00 179.97 180.00 2hf5 h VAL 91 N 0.23 1.64 -0.54 2.04 2.07 0.23 -3.35 116.25 118.58 2hf5 h VAL 91 Ca -0.08 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 2hf5 h VAL 91 Cb 1.59 3.12 -0.03 0.00 -1.52 0.00 0.00 31.29 34.46 2hf5 h VAL 91 CO 0.17 0.61 0.33 -0.26 0.02 0.00 0.00 177.57 178.43 2hf5 h PHE 92 N -0.67 0.70 -4.06 1.57 -1.00 -0.17 -3.44 116.94 109.88 2hf5 h PHE 92 Ca -0.05 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.23 2hf5 h PHE 92 Cb 1.16 -0.23 0.08 0.00 3.61 0.00 0.00 35.95 40.56 2hf5 h PHE 92 CO 0.22 0.48 0.46 0.34 -1.61 0.00 0.00 178.31 178.20 2hf5 s ASP 93 N -5.75 5.78 0.03 2.17 -1.08 -1.16 -4.01 116.67 112.65 2hf5 s ASP 93 Ca -0.13 2.27 -0.21 0.00 -0.52 0.00 0.00 52.55 53.97 2hf5 s ASP 93 Cb 0.12 -2.59 -0.16 0.00 -1.46 0.00 0.00 42.92 38.83 2hf5 s ASP 93 CO 0.75 -1.18 1.30 0.11 0.52 0.00 0.00 175.17 176.67 2hf5 h LYS 94 N 1.45 0.35 -0.48 4.34 1.57 -1.84 -3.29 116.57 118.67 2hf5 h LYS 94 Ca -0.50 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 2hf5 h LYS 94 Cb 1.26 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2hf5 h LYS 94 CO 0.58 0.78 0.00 -0.40 -0.57 0.00 0.00 179.45 179.84 2hf5 n ASP 95 N -4.53 3.28 -3.92 0.86 5.75 -1.26 -4.98 116.55 111.75 2hf5 n ASP 95 Ca -0.07 -1.99 -0.31 0.00 -0.01 0.00 0.00 54.79 52.41 2hf5 n ASP 95 Cb 0.39 -0.32 -0.01 0.00 -1.03 0.00 0.00 41.12 40.16 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 0.94 -0.47 0.59 6.12 0.00 -1.24 -4.84 105.19 106.29 2hf5 n GLY 96 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.60 1.13 -0.43 1.61 6.94 -1.26 -4.77 115.26 115.88 2hf5 n ASN 97 Ca 0.05 -1.65 -0.05 0.00 -0.02 0.00 0.00 54.58 52.90 2hf5 n ASN 97 Cb 0.51 -0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 37.50 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 0.18 0.70 3.15 4.83 0.00 -1.26 -5.01 105.19 107.78 2hf5 n GLY 98 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.20 -0.06 -0.44 1.61 2.02 -1.26 -4.93 117.35 112.08 2hf5 s TYR 99 Ca 0.00 0.08 -0.09 0.00 -0.37 0.00 0.00 57.07 56.69 2hf5 s TYR 99 Cb 0.00 0.01 0.10 0.00 -0.40 0.00 0.00 41.96 41.67 2hf5 s TYR 99 CO 0.00 -0.30 0.30 0.42 -1.57 0.00 0.00 175.55 174.40 2hf5 s ILE 100 N -1.20 4.19 0.63 2.71 1.01 -1.19 -4.35 121.20 123.00 2hf5 s ILE 100 Ca -0.13 -1.61 0.07 0.00 0.00 0.00 0.00 60.65 58.98 2hf5 s ILE 100 Cb -0.06 -3.67 0.11 0.00 0.01 0.00 0.00 42.46 38.85 2hf5 s ILE 100 CO 0.02 -0.64 0.87 -1.20 0.00 0.00 0.00 174.94 173.99 2hf5 n SER 101 N 4.90 1.91 0.16 3.58 7.64 -1.26 -0.69 113.62 129.87 2hf5 n SER 101 Ca -0.09 -2.44 -0.13 0.00 1.01 0.00 0.00 58.87 57.22 2hf5 n SER 101 Cb 0.42 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 63.05 2hf5 n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hf5 h ALA 102 N -0.10 -0.43 -0.85 -0.43 0.00 -1.88 0.53 119.26 116.09 2hf5 h ALA 102 Ca -0.29 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.65 2hf5 h ALA 102 Cb 1.25 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 2hf5 h ALA 102 CO 0.38 -0.56 0.59 0.00 0.00 0.00 0.00 179.25 179.66 2hf5 h ALA 103 N -0.28 2.47 -0.02 0.00 0.00 -1.96 -0.38 119.26 119.09 2hf5 h ALA 103 Ca -0.04 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2hf5 h ALA 103 Cb 0.51 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2hf5 h ALA 103 CO 0.07 -0.73 -0.70 0.93 0.00 0.00 0.00 179.25 178.82 2hf5 h GLU 104 N 0.21 0.52 -0.66 0.00 4.39 -1.72 -2.19 114.58 115.12 2hf5 h GLU 104 Ca 0.43 -0.52 0.12 0.00 0.34 0.00 0.00 59.36 59.72 2hf5 h GLU 104 Cb 1.34 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 30.05 2hf5 h GLU 104 CO -0.09 1.16 0.22 -0.07 -1.16 0.00 0.00 179.01 179.07 2hf5 h LEU 105 N 0.08 0.18 0.02 1.33 -0.00 0.17 -1.01 115.31 116.08 2hf5 h LEU 105 Ca -0.08 0.10 -0.25 0.00 -0.00 0.00 0.00 57.88 57.65 2hf5 h LEU 105 Cb 1.39 0.10 0.02 0.00 -0.00 0.00 0.00 40.66 42.17 2hf5 h LEU 105 CO 0.14 0.09 -0.97 0.03 -0.00 0.00 0.00 178.44 177.73 2hf5 h ARG 106 N 0.38 0.62 -0.72 1.13 3.08 -1.35 0.18 114.38 117.69 2hf5 h ARG 106 Ca 0.35 -0.70 0.15 0.00 0.07 0.00 0.00 59.98 59.85 2hf5 h ARG 106 Cb 0.49 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 30.64 2hf5 h ARG 106 CO -0.37 1.29 0.18 1.25 -1.07 0.00 0.00 179.97 181.25 2hf5 h HIS 107 N 0.25 0.29 0.18 3.04 2.76 -0.72 0.76 115.15 121.71 2hf5 h HIS 107 Ca -0.13 0.04 -0.34 0.00 -2.20 0.00 0.00 60.37 57.74 2hf5 h HIS 107 Cb 1.64 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 30.60 2hf5 h HIS 107 CO 0.12 -0.06 -1.66 -0.24 -1.30 0.00 0.00 177.93 174.79 2hf5 h VAL 108 N 0.29 1.05 0.00 5.26 3.04 -1.16 -3.14 116.25 121.58 2hf5 h VAL 108 Ca 0.40 -2.61 0.00 0.00 -1.01 0.00 0.00 66.70 63.48 2hf5 h VAL 108 Cb 0.67 2.81 0.00 0.00 -2.01 0.00 0.00 31.29 32.76 2hf5 h VAL 108 CO -0.48 0.84 0.00 0.80 -1.01 0.00 0.00 177.57 177.72 2hf5 n MET 109 N -3.58 0.00 0.00 4.17 0.00 0.62 -4.81 117.12 113.52 2hf5 n MET 109 Ca -0.21 0.35 0.00 0.00 0.00 0.00 0.00 57.70 57.84 2hf5 n MET 109 Cb 1.07 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 33.30 2hf5 n MET 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2hf5 n THR 110 N -1.55 0.00 -2.44 1.12 -1.04 -0.74 -5.05 114.28 104.59 2hf5 n THR 110 Ca 0.00 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.05 61.79 2hf5 n THR 110 Cb 0.00 0.62 0.05 0.00 -1.82 0.00 0.00 70.33 69.18 2hf5 n THR 110 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2hf5 n ASN 111 N -0.64 0.56 -4.67 8.00 5.15 0.26 -4.99 115.26 118.93 2hf5 n ASN 111 Ca 0.00 -1.47 -0.48 0.00 -0.60 0.00 0.00 54.58 52.03 2hf5 n ASN 111 Cb 0.00 -0.25 -0.05 0.00 -0.53 0.00 0.00 39.78 38.95 2hf5 n ASN 111 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2hf5 n LEU 112 N 0.00 3.07 0.00 1.20 7.94 -1.26 -4.62 117.00 123.32 2hf5 n LEU 112 Ca 0.07 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 2hf5 n LEU 112 Cb 0.24 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 42.81 2hf5 n LEU 112 CO 0.16 -0.27 0.00 0.61 -1.11 0.00 0.00 177.39 176.78