#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 3.95 0.00 0.00 -1.05 -1.26 -4.98 118.70 115.36 2hf5 s GLU 47 Ca 0.00 0.48 0.22 0.00 -0.15 0.00 0.00 54.97 55.52 2hf5 s GLU 47 Cb 0.00 -2.78 0.84 0.00 -0.44 0.00 0.00 34.13 31.75 2hf5 s GLU 47 CO 0.00 0.38 1.60 -0.11 0.95 0.00 0.00 175.26 178.08 2hf5 n LEU 48 N 0.37 1.45 -0.10 1.83 7.94 -1.26 -4.15 117.00 123.09 2hf5 n LEU 48 Ca -0.02 -0.59 0.25 0.00 -1.11 0.00 0.00 56.01 54.53 2hf5 n LEU 48 Cb 0.52 -0.08 0.71 0.00 0.53 0.00 0.00 43.42 45.10 2hf5 n LEU 48 CO 0.43 0.30 1.23 -0.61 -1.11 0.00 0.00 177.39 177.62 2hf5 h GLN 49 N 1.97 0.00 -0.38 1.96 4.15 -1.98 -0.55 115.11 120.28 2hf5 h GLN 49 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2hf5 h GLN 49 Cb 0.43 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2hf5 h GLN 49 CO 0.00 0.00 0.11 0.22 -1.93 0.00 0.00 178.83 177.23 2hf5 h ASP 50 N 0.00 0.56 -0.28 -0.69 3.58 -2.00 0.36 116.42 117.95 2hf5 h ASP 50 Ca 0.35 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 2hf5 h ASP 50 Cb 1.39 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.28 2hf5 h ASP 50 CO -0.00 0.62 0.08 -0.03 -2.88 0.00 0.00 179.24 177.02 2hf5 h MET 51 N 0.47 0.53 -0.34 0.28 4.05 -1.44 -1.25 114.93 117.22 2hf5 h MET 51 Ca 0.12 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 2hf5 h MET 51 Cb 0.27 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2hf5 h MET 51 CO -0.00 0.50 -0.01 0.82 0.23 0.00 0.00 176.91 178.44 2hf5 h ILE 52 N 0.52 1.20 0.00 1.77 2.04 -0.60 -1.04 117.51 121.40 2hf5 h ILE 52 Ca 0.12 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 2hf5 h ILE 52 Cb 0.22 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2hf5 h ILE 52 CO -0.00 0.28 -0.20 0.78 0.00 0.00 0.00 178.15 179.00 2hf5 h ASN 53 N 0.51 0.00 0.60 1.72 -0.26 0.19 0.16 115.58 118.51 2hf5 h ASN 53 Ca 0.11 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.57 2hf5 h ASN 53 Cb 0.35 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 2hf5 h ASN 53 CO 0.01 0.20 -1.34 -0.08 -1.06 0.00 0.00 177.43 175.17 2hf5 h GLU 54 N 0.00 0.22 0.01 0.81 4.81 -0.72 -3.32 114.58 116.39 2hf5 h GLU 54 Ca -0.00 -0.38 -0.19 0.00 -0.13 0.00 0.00 59.36 58.66 2hf5 h GLU 54 Cb 0.97 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2hf5 h GLU 54 CO 0.03 1.13 -0.88 0.28 -0.73 0.00 0.00 179.01 178.84 2hf5 h VAL 55 N 0.06 1.59 -1.91 0.32 2.07 -0.97 -3.42 116.25 113.99 2hf5 h VAL 55 Ca -0.17 -2.88 -0.59 0.00 0.82 0.00 0.00 66.70 63.88 2hf5 h VAL 55 Cb 1.97 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 34.31 2hf5 h VAL 55 CO 0.18 0.83 1.50 -0.67 0.02 0.00 0.00 177.57 179.42 2hf5 n ASP 56 N -3.55 3.16 -0.10 0.57 2.03 0.55 -4.77 116.55 114.44 2hf5 n ASP 56 Ca -0.01 0.18 -0.22 0.00 0.52 0.00 0.00 54.79 55.26 2hf5 n ASP 56 Cb 0.83 -1.54 -0.12 0.00 -0.72 0.00 0.00 41.12 39.57 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 11.78 1.18 -0.13 -1.67 0.00 -1.26 -4.66 120.51 125.76 2hf5 n ALA 57 Ca 0.31 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2hf5 n ALA 57 Cb 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -3.70 0.38 0.00 0.00 5.75 -1.26 -5.03 116.55 112.68 2hf5 n ASP 58 Ca -0.44 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 2hf5 n ASP 58 Cb 0.94 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 41.40 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 0.37 0.75 0.00 6.12 0.00 -1.26 -5.07 105.19 106.11 2hf5 n GLY 59 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2hf5 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hf5 n ASN 60 N 0.00 3.80 0.00 1.61 4.13 -1.26 -4.99 115.26 118.55 2hf5 n ASN 60 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2hf5 n ASN 60 Cb 0.00 0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 2hf5 n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hf5 n GLY 61 N 2.36 1.47 3.79 7.41 0.00 -1.26 -4.92 105.19 114.04 2hf5 n GLY 61 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.62 0.00 0.07 2.61 -1.32 -1.26 -4.89 115.64 107.23 2hf5 s THR 62 Ca 0.00 -1.04 -0.07 0.00 -1.21 0.00 0.00 61.69 59.37 2hf5 s THR 62 Cb 0.00 -2.72 -0.05 0.00 -1.51 0.00 0.00 72.50 68.21 2hf5 s THR 62 CO 0.00 0.00 0.34 -0.51 -2.21 0.00 0.00 174.62 172.24 2hf5 s ILE 63 N -2.62 5.20 0.50 5.08 2.07 0.50 -4.63 121.20 127.31 2hf5 s ILE 63 Ca 0.16 0.20 0.06 0.00 -1.41 0.00 0.00 60.65 59.66 2hf5 s ILE 63 Cb -0.05 -3.61 0.01 0.00 0.13 0.00 0.00 42.46 38.94 2hf5 s ILE 63 CO 0.11 0.25 0.34 -0.62 -1.91 0.00 0.00 174.94 173.11 2hf5 s ASP 64 N -1.94 4.62 0.10 4.50 -1.08 -1.26 -3.22 116.67 118.39 2hf5 s ASP 64 Ca 0.33 -1.17 -0.31 0.00 -0.52 0.00 0.00 52.55 50.87 2hf5 s ASP 64 Cb -0.13 0.14 -0.13 0.00 -1.46 0.00 0.00 42.92 41.34 2hf5 s ASP 64 CO 0.19 -0.94 1.61 -0.26 0.52 0.00 0.00 175.17 176.29 2hf5 h PHE 65 N 0.93 -1.00 -0.43 -5.34 0.04 -1.99 0.35 116.94 109.51 2hf5 h PHE 65 Ca -0.39 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.39 2hf5 h PHE 65 Cb 1.29 0.39 -0.02 0.00 2.20 0.00 0.00 35.95 39.81 2hf5 h PHE 65 CO 0.89 -0.51 0.25 -1.00 -0.60 0.00 0.00 178.31 177.34 2hf5 h PRO 66 N -0.74 0.57 -0.14 1.51 0.13 -1.99 -1.43 132.00 129.92 2hf5 h PRO 66 Ca -0.02 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.92 2hf5 h PRO 66 Cb 0.68 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2hf5 h PRO 66 CO -0.08 0.41 -0.46 0.93 -0.23 0.00 0.00 178.00 178.57 2hf5 h GLU 67 N 0.58 0.56 -0.80 0.86 5.08 -1.82 -1.32 114.58 117.72 2hf5 h GLU 67 Ca 0.15 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2hf5 h GLU 67 Cb -0.01 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2hf5 h GLU 67 CO -0.03 1.04 0.53 0.35 -1.00 0.00 0.00 179.01 179.89 2hf5 h PHE 68 N 0.19 1.01 -0.27 4.33 3.57 -0.08 0.24 116.94 125.93 2hf5 h PHE 68 Ca -0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2hf5 h PHE 68 Cb 1.09 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2hf5 h PHE 68 CO 0.10 0.64 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.74 2hf5 h LEU 69 N 1.08 0.37 0.21 0.59 3.38 -1.18 0.19 115.31 119.96 2hf5 h LEU 69 Ca 0.29 -0.06 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 2hf5 h LEU 69 Cb -0.12 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 40.56 2hf5 h LEU 69 CO -0.06 0.44 -1.30 0.74 0.09 0.00 0.00 178.44 178.35 2hf5 h THR 70 N 0.39 1.32 0.00 0.22 2.02 -0.48 -1.08 112.91 115.30 2hf5 h THR 70 Ca 0.09 -2.62 -0.06 0.00 0.77 0.00 0.00 66.41 64.59 2hf5 h THR 70 Cb 0.27 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 2hf5 h THR 70 CO 0.01 0.78 -0.26 0.24 0.37 0.00 0.00 175.52 176.65 2hf5 h MET 71 N -0.04 0.00 0.12 6.66 2.86 -0.41 0.67 114.93 124.80 2hf5 h MET 71 Ca -0.23 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2hf5 h MET 71 Cb 1.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.65 2hf5 h MET 71 CO 0.22 0.26 -0.06 1.98 1.06 0.00 0.00 176.91 180.38 2hf5 h MET 72 N 0.00 -0.16 0.00 1.72 -1.53 -0.63 -3.21 114.93 111.13 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 0.48 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 2hf5 h MET 72 CO 0.03 -0.10 0.17 0.00 0.14 0.00 0.00 176.91 177.15 2hf5 n ALA 73 N -2.12 0.78 -0.28 0.39 0.00 -0.41 -1.23 120.51 117.65 2hf5 n ALA 73 Ca -0.02 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.63 2hf5 n ALA 73 Cb 0.06 -0.95 0.22 0.00 0.00 0.00 0.00 19.45 18.79 2hf5 n ALA 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2hf5 h ARG 74 N 0.00 0.17 0.00 0.00 9.65 0.36 -3.36 114.38 121.21 2hf5 h ARG 74 Ca 0.00 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2hf5 h ARG 74 Cb 0.34 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2hf5 h ARG 74 CO 0.00 0.11 -0.82 0.36 2.80 0.00 0.00 179.97 182.42 2hf5 n LYS 75 N -5.26 0.02 -3.89 0.20 2.85 -0.93 -5.05 118.16 106.10 2hf5 n LYS 75 Ca 0.17 0.01 -0.35 0.00 -1.05 0.00 0.00 58.31 57.09 2hf5 n LYS 75 Cb 0.56 -0.54 -0.14 0.00 -0.65 0.00 0.00 35.03 34.27 2hf5 n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2hf5 s MET 76 N -2.02 3.35 -0.36 -1.58 0.23 -0.36 -5.07 119.30 113.47 2hf5 s MET 76 Ca -0.01 -0.65 -0.18 0.00 -1.03 0.00 0.00 55.69 53.81 2hf5 s MET 76 Cb 0.01 -3.05 0.00 0.00 -1.53 0.00 0.00 34.83 30.25 2hf5 s MET 76 CO 0.02 -0.22 0.52 0.21 -2.03 0.00 0.00 175.02 173.52 2hf5 s LYS 77 N 1.48 3.54 0.00 3.16 2.47 -1.26 -2.45 119.74 126.68 2hf5 s LYS 77 Ca 0.05 -0.23 0.00 0.00 -1.56 0.00 0.00 55.97 54.23 2hf5 s LYS 77 Cb -0.15 -3.84 0.00 0.00 -1.46 0.00 0.00 37.83 32.39 2hf5 s LYS 77 CO -0.03 -0.70 0.00 -3.47 0.16 0.00 0.00 175.35 171.32 2hf5 n ASP 78 N 5.79 0.00 -4.75 1.43 -0.08 -1.26 -5.03 116.55 112.64 2hf5 n ASP 78 Ca -0.05 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.82 2hf5 n ASP 78 Cb 0.49 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.93 2hf5 n ASP 78 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2hf5 s THR 79 N 3.38 2.03 -0.57 5.18 2.01 -1.26 -4.98 115.64 121.43 2hf5 s THR 79 Ca 0.00 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.08 2hf5 s THR 79 Cb 0.00 -3.02 0.19 0.00 0.01 0.00 0.00 72.50 69.69 2hf5 s THR 79 CO 0.00 0.00 0.50 -0.90 -0.69 0.00 0.00 174.62 173.54 2hf5 n ASP 80 N 2.18 1.81 -3.93 3.53 5.68 -1.26 -4.93 116.55 119.62 2hf5 n ASP 80 Ca 0.08 -2.95 -0.23 0.00 -0.50 0.00 0.00 54.79 51.19 2hf5 n ASP 80 Cb 0.37 -0.67 -0.17 0.00 -1.14 0.00 0.00 41.12 39.52 2hf5 n ASP 80 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2hf5 s SER 81 N -1.18 1.46 0.26 -1.12 1.04 -1.26 -5.06 113.70 107.85 2hf5 s SER 81 Ca 0.31 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.52 2hf5 s SER 81 Cb 0.04 -0.64 0.52 0.00 0.10 0.00 0.00 66.02 66.04 2hf5 s SER 81 CO -0.14 -0.04 1.77 -0.08 0.98 0.00 0.00 173.24 175.73 2hf5 h GLU 82 N 7.32 0.65 -0.64 4.02 4.81 -1.98 -1.69 114.58 127.07 2hf5 h GLU 82 Ca -0.33 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2hf5 h GLU 82 Cb 1.16 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 2hf5 h GLU 82 CO 0.45 0.43 0.42 0.93 -0.73 0.00 0.00 179.01 180.51 2hf5 h GLU 83 N 0.67 0.85 -0.49 1.92 3.07 -1.98 0.63 114.58 119.24 2hf5 h GLU 83 Ca 0.46 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 59.15 2hf5 h GLU 83 Cb 0.61 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 2hf5 h GLU 83 CO -0.34 0.57 -0.14 0.93 -1.40 0.00 0.00 179.01 178.63 2hf5 h GLU 84 N 0.87 0.94 -0.32 2.33 4.39 -1.76 -1.47 114.58 119.56 2hf5 h GLU 84 Ca 0.23 -0.35 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 2hf5 h GLU 84 Cb -0.08 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2hf5 h GLU 84 CO -0.05 1.01 -0.22 0.82 -1.16 0.00 0.00 179.01 179.41 2hf5 h ILE 85 N 0.83 1.27 -0.62 3.13 1.08 -0.82 -1.37 117.51 121.00 2hf5 h ILE 85 Ca 0.13 -1.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.30 2hf5 h ILE 85 Cb 0.68 1.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.67 2hf5 h ILE 85 CO 0.05 0.41 0.30 0.03 -0.69 0.00 0.00 178.15 178.25 2hf5 h ARG 86 N 0.54 0.90 0.00 2.37 3.08 0.66 0.73 114.38 122.66 2hf5 h ARG 86 Ca 0.08 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2hf5 h ARG 86 Cb 0.67 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2hf5 h ARG 86 CO 0.05 0.72 -0.41 1.49 -1.07 0.00 0.00 179.97 180.75 2hf5 h GLU 87 N 0.86 0.00 -0.29 0.04 4.81 -0.97 -2.30 114.58 116.72 2hf5 h GLU 87 Ca 0.21 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 2hf5 h GLU 87 Cb 0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2hf5 h GLU 87 CO -0.03 0.41 -0.27 0.00 -0.73 0.00 0.00 179.01 178.40 2hf5 h ALA 88 N 1.59 0.43 -0.77 2.92 0.00 -0.51 -1.57 119.26 121.34 2hf5 h ALA 88 Ca -0.00 -0.39 0.13 0.00 0.00 0.00 0.00 54.91 54.65 2hf5 h ALA 88 Cb 0.79 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2hf5 h ALA 88 CO 0.05 0.43 0.51 0.74 0.00 0.00 0.00 179.25 180.98 2hf5 h PHE 89 N 0.45 0.61 -0.21 0.00 -1.00 -0.50 0.48 116.94 116.76 2hf5 h PHE 89 Ca 0.05 0.02 -0.18 0.00 2.81 0.00 0.00 57.97 60.67 2hf5 h PHE 89 Cb 0.83 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 40.19 2hf5 h PHE 89 CO 0.07 0.25 -0.58 0.00 -1.61 0.00 0.00 178.31 176.44 2hf5 h ARG 90 N 0.53 0.68 0.00 1.51 3.08 -1.05 -3.13 114.38 116.00 2hf5 h ARG 90 Ca 0.38 -0.45 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2hf5 h ARG 90 Cb 0.71 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2hf5 h ARG 90 CO -0.14 1.07 -0.80 -0.24 -1.07 0.00 0.00 179.97 178.79 2hf5 h VAL 91 N 0.51 0.22 -0.56 2.04 3.04 -0.17 -3.22 116.25 118.12 2hf5 h VAL 91 Ca 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 2hf5 h VAL 91 Cb 1.15 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.28 2hf5 h VAL 91 CO 0.12 0.13 0.00 0.49 -1.01 0.00 0.00 177.57 177.29 2hf5 n PHE 92 N -2.89 1.32 -4.80 3.17 3.72 0.15 -4.63 117.46 113.50 2hf5 n PHE 92 Ca -0.01 -0.52 -0.26 0.00 -0.05 0.00 0.00 57.45 56.60 2hf5 n PHE 92 Cb 0.63 -0.23 -0.16 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.83 2.16 0.19 4.37 -1.08 -1.18 -3.25 116.67 117.04 2hf5 s ASP 93 Ca 0.45 -0.36 -0.00 0.00 -0.52 0.00 0.00 52.55 52.11 2hf5 s ASP 93 Cb 0.29 -0.80 0.11 0.00 -1.46 0.00 0.00 42.92 41.06 2hf5 s ASP 93 CO 0.21 0.11 1.47 0.07 0.52 0.00 0.00 175.17 177.56 2hf5 h LYS 94 N 6.57 0.38 -0.44 4.34 2.10 -1.86 -2.93 116.57 124.73 2hf5 h LYS 94 Ca -0.30 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 2hf5 h LYS 94 Cb 1.19 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2hf5 h LYS 94 CO 0.48 0.92 0.00 -0.40 -2.00 0.00 0.00 179.45 178.45 2hf5 n ASP 95 N -3.86 3.68 -3.62 7.07 5.75 -1.26 -4.95 116.55 119.36 2hf5 n ASP 95 Ca -0.04 -2.34 -0.27 0.00 -0.01 0.00 0.00 54.79 52.14 2hf5 n ASP 95 Cb 0.67 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.53 -0.47 0.65 6.12 0.00 -1.11 -4.84 105.19 106.07 2hf5 n GLY 96 Ca 0.18 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.38 1.53 -0.07 1.61 6.94 -1.26 -4.83 115.26 116.80 2hf5 n ASN 97 Ca 0.02 -2.11 -0.01 0.00 -0.02 0.00 0.00 54.58 52.46 2hf5 n ASN 97 Cb 0.52 -0.50 -0.00 0.00 -2.36 0.00 0.00 39.78 37.44 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 0.10 0.40 3.33 4.83 0.00 -1.26 -5.02 105.19 107.57 2hf5 n GLY 98 Ca 0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.03 0.07 -0.30 1.61 2.02 -1.26 -4.94 117.35 112.52 2hf5 s TYR 99 Ca 0.00 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2hf5 s TYR 99 Cb 0.00 0.11 0.08 0.00 -0.40 0.00 0.00 41.96 41.75 2hf5 s TYR 99 CO 0.00 -0.70 0.00 0.42 -1.57 0.00 0.00 175.55 173.70 2hf5 s ILE 100 N -3.88 1.91 0.39 2.71 1.01 -1.20 -4.38 121.20 117.76 2hf5 s ILE 100 Ca 0.08 -1.84 0.07 0.00 0.00 0.00 0.00 60.65 58.97 2hf5 s ILE 100 Cb 0.03 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 2hf5 s ILE 100 CO -0.07 -0.40 0.49 -0.55 0.00 0.00 0.00 174.94 174.42 2hf5 s SER 101 N 1.14 5.64 0.04 3.58 0.15 -1.26 -0.37 113.70 122.62 2hf5 s SER 101 Ca 0.03 -0.40 -0.27 0.00 0.70 0.00 0.00 55.95 56.01 2hf5 s SER 101 Cb -0.19 -0.84 -0.17 0.00 -1.71 0.00 0.00 66.02 63.11 2hf5 s SER 101 CO -0.10 -0.62 1.43 0.00 1.20 0.00 0.00 173.24 175.16 2hf5 h ALA 102 N 0.82 -0.54 -0.90 5.45 0.00 -1.89 0.64 119.26 122.84 2hf5 h ALA 102 Ca -0.42 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.50 2hf5 h ALA 102 Cb 1.27 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 2hf5 h ALA 102 CO 0.50 -0.71 0.58 0.00 0.00 0.00 0.00 179.25 179.62 2hf5 h ALA 103 N -0.20 2.00 -0.01 0.00 0.00 -1.93 0.24 119.26 119.37 2hf5 h ALA 103 Ca -0.05 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hf5 h ALA 103 Cb 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2hf5 h ALA 103 CO 0.09 -0.28 0.00 0.93 0.00 0.00 0.00 179.25 180.00 2hf5 h GLU 104 N 0.55 0.01 -0.70 0.00 4.39 -1.74 -1.63 114.58 115.47 2hf5 h GLU 104 Ca 0.47 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.28 2hf5 h GLU 104 Cb 0.96 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.52 2hf5 h GLU 104 CO -0.21 0.04 0.30 -0.07 -1.16 0.00 0.00 179.01 177.91 2hf5 h LEU 105 N -0.02 0.33 0.02 1.33 3.38 0.12 -0.83 115.31 119.64 2hf5 h LEU 105 Ca 0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2hf5 h LEU 105 Cb 0.03 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2hf5 h LEU 105 CO -0.00 0.17 -0.01 0.03 0.09 0.00 0.00 178.44 178.72 2hf5 h ARG 106 N 0.49 -0.03 0.00 1.13 3.08 -1.41 -2.41 114.38 115.23 2hf5 h ARG 106 Ca 0.36 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.37 2hf5 h ARG 106 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2hf5 h ARG 106 CO -0.33 0.60 -0.20 0.45 -1.07 0.00 0.00 179.97 179.41 2hf5 h HIS 107 N -0.97 0.00 0.05 3.04 3.86 -1.07 0.74 115.15 120.81 2hf5 h HIS 107 Ca -0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 2hf5 h HIS 107 Cb 0.64 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 2hf5 h HIS 107 CO 0.17 0.20 -0.97 -0.24 0.86 0.00 0.00 177.93 177.95 2hf5 h VAL 108 N 0.00 1.22 0.22 2.45 3.04 -1.29 -1.61 116.25 120.28 2hf5 h VAL 108 Ca -0.00 -2.33 -0.01 0.00 -1.01 0.00 0.00 66.70 63.35 2hf5 h VAL 108 Cb 0.50 2.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.55 2hf5 h VAL 108 CO 0.03 0.56 -0.11 -0.03 -1.01 0.00 0.00 177.57 177.01 2hf5 h MET 109 N -0.70 -0.29 0.00 4.17 -1.53 -1.02 -3.43 114.93 112.13 2hf5 h MET 109 Ca -0.23 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.05 2hf5 h MET 109 Cb 1.42 0.07 0.00 0.00 -0.55 0.00 0.00 31.60 32.54 2hf5 h MET 109 CO -0.03 0.08 -0.59 2.41 0.14 0.00 0.00 176.91 178.91 2hf5 n THR 110 N -5.03 0.00 -0.87 -0.77 -1.04 0.20 -5.07 114.28 101.69 2hf5 n THR 110 Ca -0.09 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.82 2hf5 n THR 110 Cb 0.26 -0.41 0.08 0.00 -1.82 0.00 0.00 70.33 68.44 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 -0.95 -4.63 8.00 4.13 0.23 -4.96 115.26 114.88 2hf5 n ASN 111 Ca 0.00 -0.85 -0.38 0.00 1.68 0.00 0.00 54.58 55.02 2hf5 n ASN 111 Cb 0.30 -0.34 -0.09 0.00 -1.54 0.00 0.00 39.78 38.11 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 4.08 0.00 3.41 2.01 -1.24 -4.39 118.68 122.55 2hf5 s LEU 112 Ca 0.24 0.31 0.00 0.00 0.01 0.00 0.00 54.13 54.70 2hf5 s LEU 112 Cb -0.02 -2.40 0.00 0.00 0.01 0.00 0.00 46.19 43.78 2hf5 s LEU 112 CO 0.18 -0.12 0.00 0.61 1.01 0.00 0.00 176.35 178.03