#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 3.51 0.25 0.00 2.56 -1.26 -4.90 118.70 118.85 2hf5 s GLU 47 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 54.97 55.00 2hf5 s GLU 47 Cb 0.00 -3.88 0.12 0.00 2.00 0.00 0.00 34.13 32.38 2hf5 s GLU 47 CO 0.00 -0.90 1.46 -0.07 -0.56 0.00 0.00 175.26 175.20 2hf5 h LEU 48 N 9.63 0.00 -1.08 2.70 -0.00 -1.98 -3.21 115.31 121.37 2hf5 h LEU 48 Ca -0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.57 2hf5 h LEU 48 Cb 1.10 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 2hf5 h LEU 48 CO 0.88 0.65 0.07 -0.61 -0.00 0.00 0.00 178.44 179.43 2hf5 h GLN 49 N 0.00 0.73 -0.57 1.13 4.15 -1.99 0.35 115.11 118.91 2hf5 h GLN 49 Ca -0.01 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.16 2hf5 h GLN 49 Cb 1.39 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.95 2hf5 h GLN 49 CO 0.08 0.69 -0.04 0.22 -1.93 0.00 0.00 178.83 177.85 2hf5 h ASP 50 N 0.70 1.03 -0.02 -0.69 3.58 -1.98 0.95 116.42 119.98 2hf5 h ASP 50 Ca 0.15 -0.33 -0.08 0.00 0.42 0.00 0.00 57.03 57.20 2hf5 h ASP 50 Cb 0.32 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2hf5 h ASP 50 CO 0.00 1.11 -0.20 -0.03 -2.88 0.00 0.00 179.24 177.24 2hf5 h MET 51 N 0.93 0.39 -0.39 0.28 4.05 -1.45 -2.06 114.93 116.68 2hf5 h MET 51 Ca 0.16 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 2hf5 h MET 51 Cb 0.61 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 2hf5 h MET 51 CO 0.04 0.58 0.06 0.82 0.23 0.00 0.00 176.91 178.64 2hf5 h ILE 52 N 0.36 1.24 -0.62 1.77 2.04 -0.41 -2.87 117.51 119.01 2hf5 h ILE 52 Ca 0.06 -0.87 0.08 0.00 1.00 0.00 0.00 64.86 65.12 2hf5 h ILE 52 Cb 0.56 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2hf5 h ILE 52 CO 0.04 0.30 0.41 0.78 0.00 0.00 0.00 178.15 179.68 2hf5 h ASN 53 N 0.50 0.48 0.38 1.72 -0.26 -0.16 0.25 115.58 118.49 2hf5 h ASN 53 Ca 0.12 0.01 -0.20 0.00 -0.56 0.00 0.00 56.30 55.66 2hf5 h ASN 53 Cb 0.38 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.53 2hf5 h ASN 53 CO 0.01 0.30 -0.84 -0.08 -1.06 0.00 0.00 177.43 175.76 2hf5 h GLU 54 N 0.54 0.34 0.00 0.81 4.57 -1.27 -3.34 114.58 116.24 2hf5 h GLU 54 Ca 0.28 -0.33 -0.33 0.00 -1.18 0.00 0.00 59.36 57.80 2hf5 h GLU 54 Cb 0.39 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.00 2hf5 h GLU 54 CO -0.08 1.01 -2.00 1.55 -1.18 0.00 0.00 179.01 178.30 2hf5 n VAL 55 N -3.76 1.53 -1.77 0.32 3.14 -0.59 -4.79 118.33 112.42 2hf5 n VAL 55 Ca -0.05 -0.81 -0.19 0.00 -2.96 0.00 0.00 64.34 60.33 2hf5 n VAL 55 Cb 0.78 -0.85 -0.06 0.00 -1.06 0.00 0.00 33.84 32.65 2hf5 n VAL 55 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2hf5 s ASP 56 N -5.90 4.37 -0.02 6.55 2.15 0.78 -4.76 116.67 119.84 2hf5 s ASP 56 Ca -0.08 -0.31 -0.19 0.00 0.43 0.00 0.00 52.55 52.39 2hf5 s ASP 56 Cb 0.07 -2.56 -0.33 0.00 -0.30 0.00 0.00 42.92 39.81 2hf5 s ASP 56 CO 0.82 -3.47 0.92 0.00 -0.17 0.00 0.00 175.17 173.26 2hf5 h ALA 57 N 12.03 -0.11 0.00 3.66 0.00 -1.86 -3.33 119.26 129.64 2hf5 h ALA 57 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2hf5 h ALA 57 Cb 1.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2hf5 h ALA 57 CO 1.09 0.51 -0.11 -0.44 0.00 0.00 0.00 179.25 180.30 2hf5 h ASP 58 N -0.17 0.00 0.00 0.00 3.32 -1.87 -3.47 116.42 114.23 2hf5 h ASP 58 Ca -0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2hf5 h ASP 58 Cb 1.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.40 2hf5 h ASP 58 CO 0.20 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 2hf5 n GLY 59 N 1.15 0.65 0.20 2.75 0.00 -1.25 -4.92 105.19 103.76 2hf5 n GLY 59 Ca 0.04 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 0.05 0.69 0.00 1.61 6.94 -1.26 -4.91 115.26 118.37 2hf5 n ASN 60 Ca 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 54.58 53.64 2hf5 n ASN 60 Cb 0.00 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 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 1.20 0.63 3.45 4.83 0.00 -1.26 -5.01 105.19 109.03 2hf5 n GLY 61 Ca 0.17 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 0.01 0.25 2.61 -1.32 -1.26 -4.79 115.64 109.14 2hf5 s THR 62 Ca 0.00 -0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 2hf5 s THR 62 Cb 0.00 -0.94 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 2hf5 s THR 62 CO 0.00 -0.06 1.02 -0.51 -2.21 0.00 0.00 174.62 172.85 2hf5 s ILE 63 N -1.66 3.81 0.50 5.08 2.07 -0.10 -4.75 121.20 126.15 2hf5 s ILE 63 Ca -0.09 1.81 0.03 0.00 -1.41 0.00 0.00 60.65 60.98 2hf5 s ILE 63 Cb -0.01 -4.15 0.03 0.00 0.13 0.00 0.00 42.46 38.45 2hf5 s ILE 63 CO 0.05 0.43 0.21 0.47 -1.91 0.00 0.00 174.94 174.19 2hf5 n ASP 64 N 1.40 2.94 -0.06 4.50 9.92 -1.26 -2.40 116.55 131.60 2hf5 n ASP 64 Ca -0.01 -2.90 -0.07 0.00 -0.53 0.00 0.00 54.79 51.27 2hf5 n ASP 64 Cb 0.46 0.13 -0.02 0.00 -0.64 0.00 0.00 41.12 41.05 2hf5 n ASP 64 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2hf5 h PHE 65 N 0.92 -0.15 -0.04 1.24 0.04 -1.97 0.09 116.94 117.07 2hf5 h PHE 65 Ca -0.36 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.47 2hf5 h PHE 65 Cb 1.19 0.10 -0.05 0.00 2.20 0.00 0.00 35.95 39.39 2hf5 h PHE 65 CO 0.00 -0.11 -0.27 -1.00 -0.60 0.00 0.00 178.31 176.33 2hf5 h PRO 66 N -0.01 -0.37 0.05 1.51 0.13 -1.99 -2.41 132.00 128.90 2hf5 h PRO 66 Ca 0.12 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2hf5 h PRO 66 Cb 0.19 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.41 2hf5 h PRO 66 CO -0.26 -0.25 -0.02 0.93 -0.23 0.00 0.00 178.00 178.17 2hf5 h GLU 67 N -0.39 -0.06 -0.29 0.86 5.08 -1.88 -0.38 114.58 117.53 2hf5 h GLU 67 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2hf5 h GLU 67 Cb 0.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2hf5 h GLU 67 CO -0.26 0.05 0.19 0.35 -1.00 0.00 0.00 179.01 178.34 2hf5 h PHE 68 N -0.16 0.36 -0.12 4.33 3.57 -0.96 0.24 116.94 124.20 2hf5 h PHE 68 Ca -0.01 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2hf5 h PHE 68 Cb 0.14 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2hf5 h PHE 68 CO -0.04 0.22 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.09 2hf5 h LEU 69 N 0.38 0.30 -0.21 0.59 -0.00 -1.42 -1.23 115.31 113.72 2hf5 h LEU 69 Ca 0.11 -0.47 -0.09 0.00 -0.00 0.00 0.00 57.88 57.43 2hf5 h LEU 69 Cb -0.04 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.53 2hf5 h LEU 69 CO -0.03 0.70 -0.22 0.74 -0.00 0.00 0.00 178.44 179.63 2hf5 h THR 70 N -0.11 1.33 0.00 0.22 2.02 -0.88 -0.08 112.91 115.40 2hf5 h THR 70 Ca 0.02 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 2hf5 h THR 70 Cb 0.61 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2hf5 h THR 70 CO 0.03 0.43 -0.11 0.24 0.37 0.00 0.00 175.52 176.47 2hf5 h MET 71 N 0.20 0.00 0.09 6.66 2.86 -0.62 0.55 114.93 124.66 2hf5 h MET 71 Ca 0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2hf5 h MET 71 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2hf5 h MET 71 CO 0.05 0.11 -0.04 1.98 1.06 0.00 0.00 176.91 180.07 2hf5 h MET 72 N 0.00 -0.11 0.00 1.72 -1.53 -0.83 -3.25 114.93 110.93 2hf5 h MET 72 Ca -0.00 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 2hf5 h MET 72 Cb 0.47 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.54 2hf5 h MET 72 CO 0.01 -0.08 0.23 0.00 0.14 0.00 0.00 176.91 177.22 2hf5 h ALA 73 N -1.89 1.17 -0.87 0.39 0.00 -0.91 -0.88 119.26 116.28 2hf5 h ALA 73 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.06 2hf5 h ALA 73 Cb 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.72 2hf5 h ALA 73 CO 0.02 -0.17 -0.27 -0.09 0.00 0.00 0.00 179.25 178.74 2hf5 h ARG 74 N 0.00 -0.02 0.00 0.00 2.43 0.08 -3.39 114.38 113.47 2hf5 h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hf5 h ARG 74 Cb 0.46 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2hf5 h ARG 74 CO 0.00 -0.01 -0.43 1.63 -1.51 0.00 0.00 179.97 179.64 2hf5 n LYS 75 N -5.53 0.00 -3.77 0.20 5.02 -0.90 -5.08 118.16 108.11 2hf5 n LYS 75 Ca 0.11 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.04 2hf5 n LYS 75 Cb 0.42 -0.32 -0.13 0.00 -0.02 0.00 0.00 35.03 34.98 2hf5 n LYS 75 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2hf5 s MET 76 N -1.88 3.36 -0.28 1.97 0.00 -0.38 -5.07 119.30 117.02 2hf5 s MET 76 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 55.69 54.94 2hf5 s MET 76 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 34.83 31.49 2hf5 s MET 76 CO 0.00 -0.32 0.10 0.21 0.00 0.00 0.00 175.02 175.01 2hf5 s LYS 77 N 1.55 3.41 -0.49 4.11 2.47 -1.26 -3.44 119.74 126.10 2hf5 s LYS 77 Ca 0.05 -0.65 0.06 0.00 -1.56 0.00 0.00 55.97 53.87 2hf5 s LYS 77 Cb -0.16 -3.41 0.21 0.00 -1.46 0.00 0.00 37.83 33.01 2hf5 s LYS 77 CO 0.02 -0.33 0.71 -3.47 0.16 0.00 0.00 175.35 172.45 2hf5 n ASP 78 N 4.93 -2.64 -4.89 1.43 2.03 -1.26 -5.07 116.55 111.08 2hf5 n ASP 78 Ca -0.15 -2.95 -0.22 0.00 0.52 0.00 0.00 54.79 51.99 2hf5 n ASP 78 Cb 0.50 1.30 -0.02 0.00 -0.72 0.00 0.00 41.12 42.18 2hf5 n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2hf5 s THR 79 N 0.55 2.35 0.32 5.18 2.01 -1.26 -5.14 115.64 119.65 2hf5 s THR 79 Ca 0.31 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 60.94 2hf5 s THR 79 Cb 0.09 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 2hf5 s THR 79 CO -0.13 0.00 0.02 0.47 -0.69 0.00 0.00 174.62 174.28 2hf5 n ASP 80 N -1.64 2.59 -4.57 3.53 8.00 -1.26 -5.13 116.55 118.07 2hf5 n ASP 80 Ca 0.03 -2.43 -0.38 0.00 0.71 0.00 0.00 54.79 52.72 2hf5 n ASP 80 Cb 0.63 0.31 0.04 0.00 -0.02 0.00 0.00 41.12 42.08 2hf5 n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2hf5 n SER 81 N -1.29 0.31 -0.28 -2.24 7.64 -1.26 -4.61 113.62 111.88 2hf5 n SER 81 Ca -0.12 0.82 0.09 0.00 1.01 0.00 0.00 58.87 60.67 2hf5 n SER 81 Cb 0.41 -1.32 0.24 0.00 -1.01 0.00 0.00 64.21 62.53 2hf5 n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2hf5 h GLU 82 N 0.56 0.35 -0.83 1.43 4.57 -2.00 0.17 114.58 118.82 2hf5 h GLU 82 Ca -0.47 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2hf5 h GLU 82 Cb 1.37 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 2hf5 h GLU 82 CO 0.51 0.23 0.47 0.93 -1.18 0.00 0.00 179.01 179.97 2hf5 h GLU 83 N 0.36 1.15 -0.30 1.92 3.07 -2.00 0.09 114.58 118.88 2hf5 h GLU 83 Ca 0.48 -0.12 -0.12 0.00 -0.50 0.00 0.00 59.36 59.10 2hf5 h GLU 83 Cb 0.86 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 2hf5 h GLU 83 CO -0.51 0.83 -0.31 0.93 -1.40 0.00 0.00 179.01 178.55 2hf5 h GLU 84 N 1.16 0.62 -0.37 2.33 4.39 -1.10 -2.29 114.58 119.33 2hf5 h GLU 84 Ca 0.30 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 2hf5 h GLU 84 Cb 0.00 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2hf5 h GLU 84 CO -0.05 0.86 -0.05 0.82 -1.16 0.00 0.00 179.01 179.43 2hf5 h ILE 85 N 0.53 1.22 -0.38 3.13 1.08 0.29 0.23 117.51 123.61 2hf5 h ILE 85 Ca 0.06 -0.94 -0.08 0.00 -0.39 0.00 0.00 64.86 63.52 2hf5 h ILE 85 Cb 0.80 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 2hf5 h ILE 85 CO 0.07 0.32 -0.08 0.03 -0.69 0.00 0.00 178.15 177.80 2hf5 h ARG 86 N 0.56 0.65 0.00 2.37 3.08 -0.73 0.24 114.38 120.56 2hf5 h ARG 86 Ca 0.11 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 2hf5 h ARG 86 Cb 0.43 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2hf5 h ARG 86 CO 0.02 0.73 -0.40 0.93 -1.07 0.00 0.00 179.97 180.17 2hf5 h GLU 87 N 0.60 0.00 -0.24 0.04 4.39 -0.77 -2.41 114.58 116.19 2hf5 h GLU 87 Ca 0.11 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 2hf5 h GLU 87 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2hf5 h GLU 87 CO 0.03 0.40 -0.34 0.00 -1.16 0.00 0.00 179.01 177.94 2hf5 h ALA 88 N 1.60 0.37 -0.72 3.43 0.00 0.79 -1.01 119.26 123.72 2hf5 h ALA 88 Ca -0.00 -0.42 0.11 0.00 0.00 0.00 0.00 54.91 54.59 2hf5 h ALA 88 Cb 0.89 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2hf5 h ALA 88 CO 0.05 0.42 0.48 0.74 0.00 0.00 0.00 179.25 180.94 2hf5 h PHE 89 N 0.37 0.60 -0.23 0.00 -1.00 -0.40 0.90 116.94 117.18 2hf5 h PHE 89 Ca 0.03 0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.68 2hf5 h PHE 89 Cb 0.92 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 2hf5 h PHE 89 CO 0.08 0.27 -0.44 -0.09 -1.61 0.00 0.00 178.31 176.52 2hf5 h ARG 90 N 0.55 0.57 0.00 1.51 2.43 -1.09 -3.16 114.38 115.19 2hf5 h ARG 90 Ca 0.34 -0.31 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 2hf5 h ARG 90 Cb 0.57 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2hf5 h ARG 90 CO -0.12 0.90 -1.33 0.28 -1.51 0.00 0.00 179.97 178.19 2hf5 h VAL 91 N 0.46 0.65 -0.20 0.20 2.07 0.25 -3.30 116.25 116.38 2hf5 h VAL 91 Ca 0.03 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2hf5 h VAL 91 Cb 0.96 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2hf5 h VAL 91 CO 0.09 0.37 0.00 0.49 0.02 0.00 0.00 177.57 178.54 2hf5 n PHE 92 N -2.98 0.50 -4.35 1.57 3.72 0.30 -4.75 117.46 111.48 2hf5 n PHE 92 Ca -0.09 -0.19 -0.20 0.00 -0.05 0.00 0.00 57.45 56.92 2hf5 n PHE 92 Cb 0.87 -0.13 -0.13 0.00 -0.94 0.00 0.00 39.48 39.14 2hf5 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2hf5 s ASP 93 N -0.56 1.64 0.20 4.37 -1.08 -1.19 -2.95 116.67 117.10 2hf5 s ASP 93 Ca 0.16 -0.45 -0.02 0.00 -0.52 0.00 0.00 52.55 51.72 2hf5 s ASP 93 Cb 0.11 -0.10 0.16 0.00 -1.46 0.00 0.00 42.92 41.62 2hf5 s ASP 93 CO 0.07 0.03 1.54 0.11 0.52 0.00 0.00 175.17 177.44 2hf5 h LYS 94 N 4.94 0.53 -0.04 4.34 1.57 -1.86 -3.30 116.57 122.75 2hf5 h LYS 94 Ca -0.38 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2hf5 h LYS 94 Cb 1.18 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2hf5 h LYS 94 CO 0.44 0.91 0.00 -0.40 -0.57 0.00 0.00 179.45 179.83 2hf5 n ASP 95 N -3.98 1.65 -4.19 0.86 5.68 -1.26 -5.02 116.55 110.29 2hf5 n ASP 95 Ca -0.03 -1.38 -0.30 0.00 -0.50 0.00 0.00 54.79 52.59 2hf5 n ASP 95 Cb 0.57 -0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.47 2hf5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hf5 n GLY 96 N 0.25 -0.19 0.00 6.12 0.00 -1.24 -4.84 105.19 105.28 2hf5 n GLY 96 Ca 0.04 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.89 0.00 0.00 1.61 6.94 -1.26 -4.82 115.26 114.84 2hf5 n ASN 97 Ca -0.27 -1.11 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 2hf5 n ASN 97 Cb 0.67 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 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 0.52 0.86 3.24 4.83 0.00 -1.26 -5.06 105.19 108.32 2hf5 n GLY 98 Ca 0.13 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 -0.29 -0.41 1.61 2.02 -1.26 -4.88 117.35 112.14 2hf5 s TYR 99 Ca 0.00 0.61 -0.06 0.00 -0.37 0.00 0.00 57.07 57.25 2hf5 s TYR 99 Cb 0.00 0.12 0.10 0.00 -0.40 0.00 0.00 41.96 41.77 2hf5 s TYR 99 CO 0.00 -0.29 0.23 0.42 -1.57 0.00 0.00 175.55 174.33 2hf5 s ILE 100 N -0.59 3.72 0.35 2.71 1.01 -1.01 -4.70 121.20 122.69 2hf5 s ILE 100 Ca -0.07 -1.74 0.07 0.00 0.00 0.00 0.00 60.65 58.91 2hf5 s ILE 100 Cb -0.04 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2hf5 s ILE 100 CO 0.02 -0.59 0.45 -0.55 0.00 0.00 0.00 174.94 174.27 2hf5 s SER 101 N 2.03 5.79 0.11 3.58 0.15 -1.26 -0.92 113.70 123.17 2hf5 s SER 101 Ca 0.05 -0.29 -0.27 0.00 0.70 0.00 0.00 55.95 56.14 2hf5 s SER 101 Cb -0.23 -1.09 -0.09 0.00 -1.71 0.00 0.00 66.02 62.90 2hf5 s SER 101 CO -0.01 -0.47 1.64 0.00 1.20 0.00 0.00 173.24 175.60 2hf5 h ALA 102 N 0.92 -0.45 -0.61 5.45 0.00 -1.87 0.35 119.26 123.05 2hf5 h ALA 102 Ca -0.45 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.54 2hf5 h ALA 102 Cb 1.26 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 19.35 2hf5 h ALA 102 CO 0.53 -0.80 -0.04 0.00 0.00 0.00 0.00 179.25 178.94 2hf5 h ALA 103 N 0.25 0.55 -0.13 0.00 0.00 -1.92 0.03 119.26 118.03 2hf5 h ALA 103 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2hf5 h ALA 103 Cb 0.49 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2hf5 h ALA 103 CO -0.13 -0.41 0.08 0.93 0.00 0.00 0.00 179.25 179.72 2hf5 h GLU 104 N 0.08 0.17 -0.23 0.00 4.39 -1.63 -2.45 114.58 114.91 2hf5 h GLU 104 Ca 0.31 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.02 2hf5 h GLU 104 Cb 0.51 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2hf5 h GLU 104 CO -0.56 0.12 0.11 1.25 -1.16 0.00 0.00 179.01 178.77 2hf5 h LEU 105 N 0.17 0.16 0.37 1.33 5.85 0.65 -2.12 115.31 121.72 2hf5 h LEU 105 Ca 0.05 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2hf5 h LEU 105 Cb -0.01 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2hf5 h LEU 105 CO -0.01 0.12 -0.18 0.03 -0.34 0.00 0.00 178.44 178.06 2hf5 h ARG 106 N 0.23 -0.48 -0.71 1.25 3.08 -0.96 -0.11 114.38 116.67 2hf5 h ARG 106 Ca 0.09 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.25 2hf5 h ARG 106 Cb 0.03 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2hf5 h ARG 106 CO -0.07 -0.19 0.47 1.25 -1.07 0.00 0.00 179.97 180.36 2hf5 h HIS 107 N -1.01 0.70 0.14 3.04 2.76 -1.14 0.55 115.15 120.20 2hf5 h HIS 107 Ca -0.05 0.02 -0.27 0.00 -2.20 0.00 0.00 60.37 57.86 2hf5 h HIS 107 Cb 0.52 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 29.25 2hf5 h HIS 107 CO 0.03 0.36 -1.35 -0.24 -1.30 0.00 0.00 177.93 175.43 2hf5 h VAL 108 N 0.68 1.13 0.00 5.26 3.04 -1.41 -3.43 116.25 121.52 2hf5 h VAL 108 Ca 0.32 -2.46 0.00 0.00 -1.01 0.00 0.00 66.70 63.55 2hf5 h VAL 108 Cb 0.35 2.83 0.00 0.00 -2.01 0.00 0.00 31.29 32.46 2hf5 h VAL 108 CO -0.11 0.73 0.00 0.80 -1.01 0.00 0.00 177.57 177.99 2hf5 n MET 109 N -3.91 0.00 0.00 4.17 0.00 -0.06 -4.92 117.12 112.40 2hf5 n MET 109 Ca -0.22 0.44 0.00 0.00 0.00 0.00 0.00 57.70 57.92 2hf5 n MET 109 Cb 0.92 -1.06 0.00 0.00 0.00 0.00 0.00 33.22 33.08 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 -1.82 0.00 -3.72 1.12 -1.04 -0.62 -5.07 114.28 103.13 2hf5 n THR 110 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hf5 n THR 110 Cb 0.00 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 2hf5 n THR 110 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2hf5 n ASN 111 N -2.20 1.55 -4.73 8.00 4.13 0.09 -4.98 115.26 117.12 2hf5 n ASN 111 Ca 0.00 -0.95 -0.41 0.00 1.68 0.00 0.00 54.58 54.90 2hf5 n ASN 111 Cb 0.24 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.43 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 4.47 0.00 3.41 1.43 -1.26 -2.52 118.68 124.21 2hf5 s LEU 112 Ca 0.00 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 2hf5 s LEU 112 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2hf5 s LEU 112 CO 0.00 -0.12 0.17 0.61 0.23 0.00 0.00 176.35 177.23