#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkh s ASN 6 N 0.00 4.00 -0.22 4.52 2.47 0.89 -4.97 114.94 121.63 3fkh s ASN 6 Ca 0.00 -0.39 -0.25 0.00 0.42 0.00 0.00 52.86 52.64 3fkh s ASN 6 Cb 0.00 -1.64 -0.01 0.00 -1.45 0.00 0.00 41.25 38.16 3fkh s ASN 6 CO 0.00 0.08 0.83 -0.63 -3.72 0.00 0.00 177.10 173.67 3fkh s ILE 7 N 0.84 4.85 0.47 -5.21 1.01 -1.26 -0.81 121.20 121.08 3fkh s ILE 7 Ca -0.03 1.60 -0.12 0.00 0.00 0.00 0.00 60.65 62.10 3fkh s ILE 7 Cb -0.15 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 3fkh s ILE 7 CO 0.00 -0.05 0.87 -0.76 0.00 0.00 0.00 174.94 175.01 3fkh s LEU 8 N 2.64 3.68 0.61 2.97 1.02 -0.77 -4.99 118.68 123.84 3fkh s LEU 8 Ca 0.36 1.28 0.00 0.00 0.02 0.00 0.00 54.13 55.79 3fkh s LEU 8 Cb -0.16 -4.20 0.06 0.00 0.02 0.00 0.00 46.19 41.91 3fkh s LEU 8 CO 0.09 -0.53 0.86 0.54 0.02 0.00 0.00 176.35 177.33 3fkh s ASN 9 N -3.34 4.97 0.16 2.29 2.20 -1.26 -4.34 114.94 115.62 3fkh s ASN 9 Ca 0.54 -0.09 -0.17 0.00 -0.94 0.00 0.00 52.86 52.20 3fkh s ASN 9 Cb -0.10 -0.63 0.08 0.00 -2.00 0.00 0.00 41.25 38.60 3fkh s ASN 9 CO 0.35 -1.39 1.70 -0.33 -2.94 0.00 0.00 177.10 174.49 3fkh h GLU 10 N -0.15 0.07 -0.14 3.55 5.08 -1.99 -0.80 114.58 120.20 3fkh h GLU 10 Ca -0.40 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.83 3fkh h GLU 10 Cb 1.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3fkh h GLU 10 CO 0.49 0.05 -0.45 1.96 -1.00 0.00 0.00 179.01 180.06 3fkh h GLN 11 N 0.07 0.35 -0.41 2.33 1.08 -1.95 -0.93 115.11 115.64 3fkh h GLN 11 Ca 0.18 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3fkh h GLN 11 Cb 0.25 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3fkh h GLN 11 CO -0.32 0.73 0.18 0.93 -0.95 0.00 0.00 178.83 179.40 3fkh h GLU 12 N 0.28 0.61 -0.23 1.46 5.08 -1.84 -0.68 114.58 119.25 3fkh h GLU 12 Ca 0.02 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3fkh h GLU 12 Cb 0.91 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3fkh h GLU 12 CO 0.08 0.55 0.12 0.00 -1.00 0.00 0.00 179.01 178.75 3fkh h ALA 13 N 1.03 0.28 -0.13 3.43 0.00 -0.79 -1.93 119.26 121.15 3fkh h ALA 13 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3fkh h ALA 13 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fkh h ALA 13 CO -0.01 -0.28 -0.05 -0.07 0.00 0.00 0.00 179.25 178.83 3fkh h LEU 14 N 0.25 0.17 0.06 0.00 4.07 -1.09 -1.53 115.31 117.24 3fkh h LEU 14 Ca 0.09 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 3fkh h LEU 14 Cb 0.02 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3fkh h LEU 14 CO -0.06 0.25 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.19 3fkh h GLU 15 N 0.18 -0.08 -0.33 1.13 3.07 -0.53 -2.82 114.58 115.20 3fkh h GLU 15 Ca 0.04 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.84 3fkh h GLU 15 Cb 0.22 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3fkh h GLU 15 CO 0.01 -0.02 -0.07 0.00 -1.40 0.00 0.00 179.01 177.53 3fkh h ARG 16 N -0.12 0.54 -1.01 2.33 3.08 -1.00 -2.35 114.38 115.85 3fkh h ARG 16 Ca -0.01 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 59.96 3fkh h ARG 16 Cb 0.10 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 3fkh h ARG 16 CO 0.01 0.61 0.65 -0.07 -1.07 0.00 0.00 179.97 180.11 3fkh h LEU 17 N 0.50 1.06 -1.47 3.04 4.07 -1.22 -2.20 115.31 119.10 3fkh h LEU 17 Ca 0.10 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.01 3fkh h LEU 17 Cb 0.43 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 3fkh h LEU 17 CO 0.02 0.69 -0.24 1.56 -1.08 0.00 0.00 178.44 179.39 3fkh h GLN 18 N 1.20 0.00 0.00 1.13 4.20 -1.17 -3.18 115.11 117.30 3fkh h GLN 18 Ca 0.43 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.10 3fkh h GLN 18 Cb 0.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3fkh h GLN 18 CO -0.16 0.24 -0.15 0.66 -0.67 0.00 0.00 178.83 178.75 3fkh h SER 19 N 0.00 0.00 -2.79 1.46 4.64 -1.18 -3.45 113.55 112.24 3fkh h SER 19 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 3fkh h SER 19 Cb 0.57 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.52 3fkh h SER 19 CO 0.03 0.15 -0.65 0.68 -0.87 0.00 0.00 176.83 176.17 3fkh s VAL 20 N -3.74 1.62 0.00 0.95 -7.23 -1.20 -5.08 120.40 105.71 3fkh s VAL 20 Ca 0.00 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3fkh s VAL 20 Cb 0.10 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.43 3fkh s VAL 20 CO 0.60 -0.19 0.45 -1.54 -0.31 0.00 0.00 175.10 174.11 3fkh n SER 21 N -0.67 0.83 -4.39 4.85 3.41 -1.26 -4.91 113.62 111.48 3fkh n SER 21 Ca -0.05 -1.15 -0.33 0.00 -0.26 0.00 0.00 58.87 57.08 3fkh n SER 21 Cb 0.65 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.46 3fkh n SER 21 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fkh s LEU 22 N -0.15 2.84 0.00 1.04 2.96 -1.26 -1.18 118.68 122.93 3fkh s LEU 22 Ca 0.00 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3fkh s LEU 22 Cb 0.00 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 3fkh s LEU 22 CO 0.00 0.14 0.18 0.61 -1.32 0.00 0.00 176.35 175.96 3fkh n GLY 23 N 3.70 3.05 3.11 7.98 0.00 -0.58 -4.63 105.19 117.81 3fkh n GLY 23 Ca -0.18 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 3fkh n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fkh s ARG 24 N -2.45 1.11 -0.20 1.61 3.00 0.12 -0.73 118.95 121.42 3fkh s ARG 24 Ca 0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 55.73 55.33 3fkh s ARG 24 Cb 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 34.95 33.85 3fkh s ARG 24 CO 0.10 0.30 -0.02 0.08 0.00 0.00 0.00 175.30 175.75 3fkh s VAL 25 N -0.35 3.71 -0.25 3.52 1.01 -0.70 -0.29 120.40 127.06 3fkh s VAL 25 Ca 0.05 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 3fkh s VAL 25 Cb -0.05 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3fkh s VAL 25 CO -0.00 0.44 0.13 -0.69 0.00 0.00 0.00 175.10 174.97 3fkh s VAL 26 N 1.04 4.94 0.33 2.92 1.01 0.57 -2.28 120.40 128.93 3fkh s VAL 26 Ca 0.01 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.11 3fkh s VAL 26 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3fkh s VAL 26 CO 0.01 0.32 0.16 0.68 0.00 0.00 0.00 175.10 176.27 3fkh s VAL 27 N 1.41 3.17 -0.03 2.92 -7.23 0.15 -1.32 120.40 119.47 3fkh s VAL 27 Ca 0.06 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 3fkh s VAL 27 Cb -0.15 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.80 3fkh s VAL 27 CO 0.06 -0.20 0.08 -0.60 -0.31 0.00 0.00 175.10 174.13 3fkh s ARG 28 N -3.86 0.06 -0.23 4.82 3.52 -1.26 -1.64 118.95 120.37 3fkh s ARG 28 Ca 0.38 0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 56.12 3fkh s ARG 28 Cb -0.03 -0.08 0.08 0.00 -1.56 0.00 0.00 34.95 33.35 3fkh s ARG 28 CO 0.23 -0.08 0.09 1.03 -0.81 0.00 0.00 175.30 175.76 3fkh s ARG 29 N 0.55 0.25 8.00 5.12 3.00 0.32 0.04 118.95 136.24 3fkh s ARG 29 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 55.73 55.32 3fkh s ARG 29 Cb -0.06 -1.67 0.00 0.00 0.00 0.00 0.00 34.95 33.22 3fkh s ARG 29 CO -0.02 -0.81 0.00 0.43 0.00 0.00 0.00 175.30 174.90 3fkh n SER 30 N 5.20 0.00 -1.13 0.23 7.64 -1.26 -1.00 113.62 123.30 3fkh n SER 30 Ca -0.07 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.92 3fkh n SER 30 Cb 0.46 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.89 3fkh n SER 30 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3fkh n ASP 31 N 8.96 3.48 -4.98 6.43 9.92 -1.26 -5.12 116.55 133.98 3fkh n ASP 31 Ca 0.00 -1.97 -0.19 0.00 -0.53 0.00 0.00 54.79 52.10 3fkh n ASP 31 Cb 0.00 -0.30 0.03 0.00 -0.64 0.00 0.00 41.12 40.21 3fkh n ASP 31 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3fkh s GLU 32 N -1.27 2.60 -0.22 -1.24 8.01 -0.17 -5.18 118.70 121.22 3fkh s GLU 32 Ca 0.39 -1.10 -0.34 0.00 0.01 0.00 0.00 54.97 53.92 3fkh s GLU 32 Cb 0.22 -2.62 0.15 0.00 -4.31 0.00 0.00 34.13 27.57 3fkh s GLU 32 CO 0.30 -0.57 1.26 0.34 0.01 0.00 0.00 175.26 176.59 3fkh s ASP 34 N -4.43 -0.11 0.00 -0.19 -1.08 -0.65 -0.52 116.67 109.69 3fkh s ASP 34 Ca 0.57 0.03 0.02 0.00 -0.52 0.00 0.00 52.55 52.65 3fkh s ASP 34 Cb -0.09 0.11 -0.01 0.00 -1.46 0.00 0.00 42.92 41.47 3fkh s ASP 34 CO 0.36 -0.16 -0.06 -0.51 0.52 0.00 0.00 175.17 175.32 3fkh s ILE 35 N -2.00 0.47 -0.10 4.11 2.07 -1.26 -0.67 121.20 123.82 3fkh s ILE 35 Ca 0.09 -0.36 -0.14 0.00 -1.41 0.00 0.00 60.65 58.83 3fkh s ILE 35 Cb -0.01 -0.42 0.03 0.00 0.13 0.00 0.00 42.46 42.19 3fkh s ILE 35 CO -0.04 0.06 0.36 0.72 -1.91 0.00 0.00 174.94 174.12 3fkh s PHE 36 N -0.30 -0.34 0.53 3.50 -0.12 -0.97 -5.01 117.98 115.28 3fkh s PHE 36 Ca 0.01 0.75 -0.19 0.00 -0.05 0.00 0.00 56.93 57.45 3fkh s PHE 36 Cb -0.03 0.13 -0.06 0.00 -0.63 0.00 0.00 43.02 42.42 3fkh s PHE 36 CO -0.00 -0.27 1.06 -1.25 -0.05 0.00 0.00 175.22 174.71 3fkh s PRO 37 N -0.33 3.56 0.00 1.99 0.04 -1.26 -1.72 135.00 137.27 3fkh s PRO 37 Ca -0.05 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 3fkh s PRO 37 Cb -0.03 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3fkh s PRO 37 CO 0.02 -0.64 0.05 0.14 0.04 0.00 0.00 177.00 176.61 3fkh s VAL 38 N -2.07 0.07 -0.11 -0.36 -7.23 0.09 -4.88 120.40 105.91 3fkh s VAL 38 Ca 0.67 -0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 60.09 3fkh s VAL 38 Cb -0.18 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.44 3fkh s VAL 38 CO 0.26 -0.33 0.38 0.20 -0.31 0.00 0.00 175.10 175.30 3fkh s ASN 39 N -1.04 6.60 0.19 4.85 0.01 -1.26 -1.53 114.94 122.76 3fkh s ASN 39 Ca -0.11 0.71 0.00 0.00 -0.71 0.00 0.00 52.86 52.75 3fkh s ASN 39 Cb -0.07 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 3fkh s ASN 39 CO 0.00 0.12 0.07 0.72 -1.51 0.00 0.00 177.10 176.50 3fkh s PHE 40 N 0.15 1.21 -0.04 2.20 -0.71 -0.32 -4.33 117.98 116.14 3fkh s PHE 40 Ca 0.21 -1.19 -0.02 0.00 -1.04 0.00 0.00 56.93 54.89 3fkh s PHE 40 Cb -0.14 -0.67 0.02 0.00 -1.21 0.00 0.00 43.02 41.01 3fkh s PHE 40 CO 0.08 -0.41 0.08 -1.50 -1.34 0.00 0.00 175.22 172.14 3fkh s ILE 41 N -3.88 -0.03 -0.21 -4.49 1.10 -0.58 -4.70 121.20 108.40 3fkh s ILE 41 Ca 0.31 0.11 -0.14 0.00 -0.51 0.00 0.00 60.65 60.42 3fkh s ILE 41 Cb 0.07 -0.14 -0.04 0.00 0.15 0.00 0.00 42.46 42.50 3fkh s ILE 41 CO 0.08 0.05 0.31 -0.69 -2.11 0.00 0.00 174.94 172.57 3fkh s VAL 42 N 0.65 5.26 -0.13 4.00 1.01 -1.26 -0.88 120.40 129.05 3fkh s VAL 42 Ca -0.05 0.51 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 3fkh s VAL 42 Cb -0.07 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.73 3fkh s VAL 42 CO -0.03 0.29 0.28 -0.62 0.00 0.00 0.00 175.10 175.02 3fkh s ASP 43 N 1.03 0.09 -1.29 3.32 2.15 -0.40 -4.92 116.67 116.65 3fkh s ASP 43 Ca 0.15 0.62 -0.02 0.00 0.43 0.00 0.00 52.55 53.73 3fkh s ASP 43 Cb -0.14 0.66 -0.00 0.00 -0.30 0.00 0.00 42.92 43.14 3fkh s ASP 43 CO 0.07 -0.22 0.69 0.29 -0.17 0.00 0.00 175.17 175.83 3fkh n LYS 44 N 4.97 -4.41 0.00 4.34 5.02 -1.26 -2.76 118.16 124.07 3fkh n LYS 44 Ca -0.13 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3fkh n LYS 44 Cb 0.51 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.45 3fkh n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fkh n GLY 45 N -1.60 2.12 3.94 0.72 0.00 -1.26 -4.98 105.19 104.12 3fkh n GLY 45 Ca -0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3fkh n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fkh s ALA 46 N -0.64 3.69 -0.17 4.61 0.00 -1.11 -4.54 121.76 123.60 3fkh s ALA 46 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 3fkh s ALA 46 Cb 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 3fkh s ALA 46 CO 0.00 -0.02 -0.05 0.42 0.00 0.00 0.00 175.76 176.11 3fkh s ILE 47 N -2.32 3.61 -0.11 0.00 1.01 0.01 -1.27 121.20 122.13 3fkh s ILE 47 Ca 0.40 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3fkh s ILE 47 Cb -0.10 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 3fkh s ILE 47 CO 0.36 0.47 -0.14 -0.31 0.00 0.00 0.00 174.94 175.32 3fkh s TYR 48 N 0.73 2.76 0.18 3.97 1.51 -0.06 0.13 117.35 126.58 3fkh s TYR 48 Ca -0.02 -0.54 0.06 0.00 -1.01 0.00 0.00 57.07 55.55 3fkh s TYR 48 Cb -0.15 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 3fkh s TYR 48 CO 0.02 -0.12 -0.10 0.96 -1.11 0.00 0.00 175.55 175.19 3fkh s ILE 49 N 0.06 1.38 -0.05 2.71 -4.36 -1.01 -1.53 121.20 118.39 3fkh s ILE 49 Ca -0.06 -2.11 0.04 0.00 -0.26 0.00 0.00 60.65 58.26 3fkh s ILE 49 Cb -0.15 -1.99 0.00 0.00 1.25 0.00 0.00 42.46 41.57 3fkh s ILE 49 CO 0.05 -0.63 -0.16 -0.60 0.24 0.00 0.00 174.94 173.83 3fkh s ARG 50 N -3.72 1.80 0.27 0.37 3.52 -1.26 -1.55 118.95 118.38 3fkh s ARG 50 Ca 0.20 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 3fkh s ARG 50 Cb 0.02 -1.53 -0.05 0.00 -1.56 0.00 0.00 34.95 31.83 3fkh s ARG 50 CO 0.04 0.19 0.11 0.95 -0.81 0.00 0.00 175.30 175.78 3fkh s THR 51 N 0.18 0.50 0.69 4.11 -4.23 -0.90 -4.84 115.64 111.15 3fkh s THR 51 Ca -0.07 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.28 3fkh s THR 51 Cb -0.13 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.13 3fkh s THR 51 CO 0.03 0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.30 3fkh s ALA 52 N -3.70 2.27 0.04 3.99 0.00 -1.26 -1.68 121.76 121.41 3fkh s ALA 52 Ca 0.37 0.87 -0.25 0.00 0.00 0.00 0.00 51.96 52.95 3fkh s ALA 52 Cb 0.07 -3.45 -0.17 0.00 0.00 0.00 0.00 23.12 19.57 3fkh s ALA 52 CO 0.15 -1.63 1.50 1.49 0.00 0.00 0.00 175.76 177.27 3fkh h GLU 53 N 0.04 -0.18 -2.23 0.00 4.81 -1.73 -3.22 114.58 112.08 3fkh h GLU 53 Ca -0.48 0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.13 3fkh h GLU 53 Cb 1.29 0.04 -0.18 0.00 0.63 0.00 0.00 28.75 30.54 3fkh h GLU 53 CO 0.52 0.05 1.20 0.41 -0.73 0.00 0.00 179.01 180.45 3fkh n GLY 54 N -0.63 4.90 3.69 1.92 0.00 -1.26 -4.88 105.19 108.93 3fkh n GLY 54 Ca -0.09 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 3fkh n GLY 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fkh s ASN 55 N 0.09 7.24 0.46 1.61 2.47 -1.22 -4.94 114.94 120.65 3fkh s ASN 55 Ca 0.55 1.52 0.25 0.00 0.42 0.00 0.00 52.86 55.60 3fkh s ASN 55 Cb 0.31 -2.55 1.28 0.00 -1.45 0.00 0.00 41.25 38.83 3fkh s ASN 55 CO -0.19 -0.42 1.82 0.07 -3.72 0.00 0.00 177.10 174.66 3fkh h LYS 56 N 7.07 0.22 0.00 0.43 2.10 -1.94 -0.93 116.57 123.53 3fkh h LYS 56 Ca -0.32 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.31 3fkh h LYS 56 Cb 1.15 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3fkh h LYS 56 CO 0.84 0.15 -0.05 -0.07 -2.00 0.00 0.00 179.45 178.31 3fkh h LEU 57 N 0.23 0.00 0.00 7.07 3.38 -2.00 -1.82 115.31 122.17 3fkh h LEU 57 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3fkh h LEU 57 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3fkh h LEU 57 CO -0.15 0.05 0.00 0.49 0.09 0.00 0.00 178.44 178.93 3fkh n PHE 58 N -4.16 0.00 -3.44 1.13 3.72 -0.35 -4.54 117.46 109.82 3fkh n PHE 58 Ca -0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 3fkh n PHE 58 Cb 0.14 -0.42 -0.07 0.00 -0.94 0.00 0.00 39.48 38.18 3fkh n PHE 58 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3fkh n SER 59 N -1.42 4.06 -2.69 4.37 7.64 -0.69 -4.99 113.62 119.89 3fkh n SER 59 Ca 0.07 -3.40 -0.06 0.00 1.01 0.00 0.00 58.87 56.49 3fkh n SER 59 Cb 0.22 -0.78 0.11 0.00 -1.01 0.00 0.00 64.21 62.75 3fkh n SER 59 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3fkh n ASN 61 N 1.12 -1.60 -4.80 6.43 3.02 -1.26 -5.13 115.26 113.05 3fkh n ASN 61 Ca 0.28 -2.44 -0.34 0.00 -0.03 0.00 0.00 54.58 52.04 3fkh n ASN 61 Cb 0.39 0.86 -0.06 0.00 -0.61 0.00 0.00 39.78 40.36 3fkh n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fkh s LEU 62 N -3.33 4.04 0.35 3.41 1.43 -1.26 -4.74 118.68 118.58 3fkh s LEU 62 Ca 0.21 1.80 -0.28 0.00 -1.03 0.00 0.00 54.13 54.83 3fkh s LEU 62 Cb 0.41 -4.38 -0.10 0.00 0.03 0.00 0.00 46.19 42.15 3fkh s LEU 62 CO -0.09 -0.37 1.25 0.20 0.23 0.00 0.00 176.35 177.57 3fkh s ASN 63 N -1.94 6.74 0.46 2.29 0.01 0.11 -4.93 114.94 117.68 3fkh s ASN 63 Ca 0.60 2.56 0.21 0.00 -0.71 0.00 0.00 52.86 55.52 3fkh s ASN 63 Cb -0.14 -2.64 1.14 0.00 0.41 0.00 0.00 41.25 40.02 3fkh s ASN 63 CO 0.18 -0.54 1.98 0.45 -1.51 0.00 0.00 177.10 177.66 3fkh h HIS 64 N 3.22 0.00 -3.03 2.20 3.86 -1.89 -3.42 115.15 116.10 3fkh h HIS 64 Ca -0.49 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.16 3fkh h HIS 64 Cb 1.23 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.66 3fkh h HIS 64 CO 0.56 0.20 0.79 -0.51 0.86 0.00 0.00 177.93 179.83 3fkh s ASP 65 N -6.54 7.03 0.17 2.45 1.01 -1.26 0.14 116.67 119.68 3fkh s ASP 65 Ca -0.03 1.66 0.02 0.00 0.71 0.00 0.00 52.55 54.91 3fkh s ASP 65 Cb 0.14 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 3fkh s ASP 65 CO 0.65 -0.66 -0.01 0.68 0.21 0.00 0.00 175.17 176.04 3fkh s VAL 66 N 2.90 0.72 -0.06 -1.27 -7.23 0.50 -4.55 120.40 111.41 3fkh s VAL 66 Ca 0.53 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.68 3fkh s VAL 66 Cb -0.21 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 3fkh s VAL 66 CO 0.16 -0.50 0.09 -0.76 -0.31 0.00 0.00 175.10 173.77 3fkh s LEU 67 N -3.17 4.00 -0.13 1.32 1.43 -0.44 -1.08 118.68 120.61 3fkh s LEU 67 Ca 0.23 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3fkh s LEU 67 Cb 0.06 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 44.16 3fkh s LEU 67 CO 0.04 0.34 -0.17 0.12 0.23 0.00 0.00 176.35 176.90 3fkh s PHE 68 N -1.08 2.30 0.08 0.29 2.19 0.76 -0.31 117.98 122.21 3fkh s PHE 68 Ca 0.19 -1.19 0.08 0.00 0.33 0.00 0.00 56.93 56.34 3fkh s PHE 68 Cb -0.12 -1.63 -0.03 0.00 -1.31 0.00 0.00 43.02 39.93 3fkh s PHE 68 CO 0.09 -0.60 -0.21 -2.00 1.83 0.00 0.00 175.22 174.33 3fkh s GLU 69 N 1.08 1.21 -0.07 10.12 -6.30 0.60 -0.25 118.70 125.10 3fkh s GLU 69 Ca -0.03 -1.09 -0.15 0.00 -2.50 0.00 0.00 54.97 51.20 3fkh s GLU 69 Cb -0.14 -1.43 0.03 0.00 0.00 0.00 0.00 34.13 32.59 3fkh s GLU 69 CO -0.05 0.34 0.35 0.00 0.02 0.00 0.00 175.26 175.92 3fkh s ALA 70 N -1.04 -0.88 0.26 6.30 0.00 -0.94 0.16 121.76 125.62 3fkh s ALA 70 Ca 0.07 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 3fkh s ALA 70 Cb -0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 3fkh s ALA 70 CO 0.03 -0.23 0.49 0.16 0.00 0.00 0.00 175.76 176.21 3fkh s ASP 71 N -0.69 0.01 -0.15 0.00 1.47 -1.26 -1.26 116.67 114.79 3fkh s ASP 71 Ca -0.08 -1.00 -0.29 0.00 1.18 0.00 0.00 52.55 52.36 3fkh s ASP 71 Cb -0.04 0.60 0.10 0.00 -0.34 0.00 0.00 42.92 43.24 3fkh s ASP 71 CO 0.03 -1.17 0.85 -0.70 0.68 0.00 0.00 175.17 174.86 3fkh s GLU 72 N -3.86 0.78 -0.22 2.11 2.12 -0.84 -5.02 118.70 113.78 3fkh s GLU 72 Ca 0.23 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.92 3fkh s GLU 72 Cb -0.01 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.81 3fkh s GLU 72 CO 0.10 -0.21 -0.06 0.08 -0.54 0.00 0.00 175.26 174.63 3fkh s VAL 73 N -0.77 1.46 -0.20 3.70 1.01 -1.26 -1.82 120.40 122.51 3fkh s VAL 73 Ca -0.04 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 3fkh s VAL 73 Cb -0.01 -1.69 0.07 0.00 0.00 0.00 0.00 36.38 34.75 3fkh s VAL 73 CO 0.04 -0.02 0.48 -0.75 0.00 0.00 0.00 175.10 174.85 3fkh s LYS 74 N 1.44 0.47 -1.22 2.72 2.20 -0.56 -4.97 119.74 119.82 3fkh s LYS 74 Ca -0.04 0.93 -0.00 0.00 -0.36 0.00 0.00 55.97 56.50 3fkh s LYS 74 Cb -0.18 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 3fkh s LYS 74 CO -0.07 -0.16 0.96 -0.25 -0.36 0.00 0.00 175.35 175.47 3fkh n ASP 75 N 4.39 -1.97 -2.00 1.43 8.00 -1.26 -2.62 116.55 122.52 3fkh n ASP 75 Ca -0.21 -0.65 -0.18 0.00 0.71 0.00 0.00 54.79 54.46 3fkh n ASP 75 Cb 0.56 -4.97 -0.04 0.00 -0.02 0.00 0.00 41.12 36.65 3fkh n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fkh n GLY 76 N -1.21 0.54 2.85 0.44 0.00 -1.26 -4.97 105.19 101.58 3fkh n GLY 76 Ca -0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3fkh n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fkh s LYS 77 N -4.35 0.93 0.08 1.61 2.47 -1.08 -1.50 119.74 117.91 3fkh s LYS 77 Ca 0.00 -0.06 0.07 0.00 -1.56 0.00 0.00 55.97 54.41 3fkh s LYS 77 Cb 0.00 -1.08 -0.04 0.00 -1.46 0.00 0.00 37.83 35.25 3fkh s LYS 77 CO 0.00 -0.21 -0.12 0.00 0.16 0.00 0.00 175.35 175.19 3fkh s ALA 78 N 1.51 2.88 0.00 3.13 0.00 0.08 -1.50 121.76 127.85 3fkh s ALA 78 Ca -0.01 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.47 3fkh s ALA 78 Cb -0.13 -0.88 0.06 0.00 0.00 0.00 0.00 23.12 22.17 3fkh s ALA 78 CO -0.04 0.62 0.60 1.67 0.00 0.00 0.00 175.76 178.61 3fkh s TRP 79 N -1.13 -0.55 0.03 0.00 1.48 -0.76 -0.28 118.94 117.73 3fkh s TRP 79 Ca 0.19 0.80 0.01 0.00 -1.06 0.00 0.00 56.10 56.04 3fkh s TRP 79 Cb -0.11 0.39 -0.02 0.00 -1.16 0.00 0.00 33.47 32.57 3fkh s TRP 79 CO 0.11 -0.63 -0.06 -1.54 -4.06 0.00 0.00 176.95 170.77 3fkh s SER 80 N -1.59 0.64 -0.14 -2.66 1.04 -0.67 -1.98 113.70 108.34 3fkh s SER 80 Ca -0.08 -0.47 -0.00 0.00 0.48 0.00 0.00 55.95 55.88 3fkh s SER 80 Cb -0.01 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.19 3fkh s SER 80 CO 0.04 -0.19 -0.07 -0.69 0.98 0.00 0.00 173.24 173.30 3fkh s VAL 81 N -1.21 1.14 -0.16 5.02 1.01 -0.39 -1.49 120.40 124.32 3fkh s VAL 81 Ca -0.10 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 3fkh s VAL 81 Cb -0.09 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3fkh s VAL 81 CO -0.00 0.27 0.01 -0.69 0.00 0.00 0.00 175.10 174.69 3fkh s VAL 82 N 1.64 4.33 -0.10 2.92 1.01 -0.57 -2.20 120.40 127.43 3fkh s VAL 82 Ca 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3fkh s VAL 82 Cb -0.14 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.34 3fkh s VAL 82 CO -0.08 0.49 -0.16 -0.69 0.00 0.00 0.00 175.10 174.66 3fkh s VAL 83 N 0.23 1.51 -0.21 2.92 1.01 0.65 -1.25 120.40 125.26 3fkh s VAL 83 Ca 0.01 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 3fkh s VAL 83 Cb -0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3fkh s VAL 83 CO 0.02 0.44 0.45 -0.13 0.00 0.00 0.00 175.10 175.88 3fkh s ARG 84 N 0.84 4.15 0.17 2.72 0.52 0.08 -0.17 118.95 127.27 3fkh s ARG 84 Ca -0.10 0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 55.31 3fkh s ARG 84 Cb -0.15 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 3fkh s ARG 84 CO 0.01 -0.13 0.25 0.00 0.02 0.00 0.00 175.30 175.45 3fkh s ALA 85 N 1.60 0.20 -0.19 2.13 0.00 -0.24 0.18 121.76 125.44 3fkh s ALA 85 Ca 0.21 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.06 3fkh s ALA 85 Cb -0.15 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 3fkh s ALA 85 CO 0.09 -0.63 0.06 0.99 0.00 0.00 0.00 175.76 176.26 3fkh s THR 86 N -4.00 4.62 -0.10 0.00 2.01 -0.52 -0.37 115.64 117.29 3fkh s THR 86 Ca 0.20 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 3fkh s THR 86 Cb 0.04 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 3fkh s THR 86 CO 0.02 0.44 -0.03 0.00 -0.69 0.00 0.00 174.62 174.35 3fkh s ALA 87 N 0.62 3.11 -0.02 7.40 0.00 0.12 -1.15 121.76 131.83 3fkh s ALA 87 Ca 0.03 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 3fkh s ALA 87 Cb -0.13 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.58 3fkh s ALA 87 CO 0.02 0.48 0.18 -1.83 0.00 0.00 0.00 175.76 174.61 3fkh s GLU 88 N -0.51 0.44 0.13 0.00 -1.05 -0.77 -4.74 118.70 112.20 3fkh s GLU 88 Ca 0.08 -0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.43 3fkh s GLU 88 Cb -0.12 0.19 -0.07 0.00 -0.44 0.00 0.00 34.13 33.69 3fkh s GLU 88 CO 0.02 -0.10 1.20 0.42 0.95 0.00 0.00 175.26 177.75 3fkh s ILE 89 N -0.95 3.79 -0.38 1.83 1.01 -1.26 -0.86 121.20 124.39 3fkh s ILE 89 Ca -0.10 1.39 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 3fkh s ILE 89 Cb -0.05 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.54 3fkh s ILE 89 CO 0.02 0.17 1.21 -0.69 0.00 0.00 0.00 174.94 175.65 3fkh s VAL 90 N 0.49 4.22 -0.11 2.92 1.01 -0.24 -4.88 120.40 123.81 3fkh s VAL 90 Ca 0.56 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.92 3fkh s VAL 90 Cb -0.31 -4.37 -0.11 0.00 0.00 0.00 0.00 36.38 31.59 3fkh s VAL 90 CO 0.33 -0.68 -0.02 0.54 0.00 0.00 0.00 175.10 175.26 3fkh n ARG 91 N 7.48 1.56 -1.95 2.72 1.74 -1.26 -4.60 116.66 122.35 3fkh n ARG 91 Ca 0.13 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.82 3fkh n ARG 91 Cb 0.48 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.63 3fkh n ARG 91 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3fkh s LYS 92 N -2.25 4.18 0.38 5.56 1.02 -1.26 -4.92 119.74 122.44 3fkh s LYS 92 Ca -0.10 2.27 0.16 0.00 0.02 0.00 0.00 55.97 58.32 3fkh s LYS 92 Cb 0.04 -3.99 1.03 0.00 -0.52 0.00 0.00 37.83 34.39 3fkh s LYS 92 CO 0.37 -0.86 1.79 -0.07 -0.92 0.00 0.00 175.35 175.67 3fkh h LEU 93 N 10.18 0.50 0.14 3.17 3.38 -1.99 -2.00 115.31 128.69 3fkh h LEU 93 Ca -0.41 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3fkh h LEU 93 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3fkh h LEU 93 CO 0.95 0.14 -0.07 -2.24 0.09 0.00 0.00 178.44 177.31 3fkh h ASP 94 N 0.47 -0.17 0.27 -0.43 3.04 -2.00 -2.45 116.42 115.15 3fkh h ASP 94 Ca 0.57 0.01 -0.09 0.00 -3.24 0.00 0.00 57.03 54.28 3fkh h ASP 94 Cb 1.32 0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 39.64 3fkh h ASP 94 CO -0.29 -0.12 -0.35 -0.33 -2.04 0.00 0.00 179.24 176.11 3fkh h GLU 95 N -0.20 0.13 -0.66 4.15 5.08 -1.78 -2.24 114.58 119.06 3fkh h GLU 95 Ca -0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3fkh h GLU 95 Cb 0.15 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3fkh h GLU 95 CO 0.03 0.47 0.20 0.82 -1.00 0.00 0.00 179.01 179.53 3fkh h ILE 96 N 0.11 1.25 -0.21 3.13 2.04 -1.35 -0.73 117.51 121.76 3fkh h ILE 96 Ca 0.01 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 64.89 3fkh h ILE 96 Cb 0.68 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3fkh h ILE 96 CO 0.05 0.33 -0.36 0.00 0.00 0.00 0.00 178.15 178.18 3fkh h ALA 97 N 1.23 1.00 -0.36 1.87 0.00 -1.11 -2.41 119.26 119.48 3fkh h ALA 97 Ca 0.22 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3fkh h ALA 97 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3fkh h ALA 97 CO -0.01 0.60 -0.12 -0.92 0.00 0.00 0.00 179.25 178.81 3fkh h TYR 98 N 0.38 0.81 -0.36 0.00 3.20 -1.10 -3.12 116.97 116.77 3fkh h TYR 98 Ca 0.04 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 3fkh h TYR 98 Cb 0.80 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3fkh h TYR 98 CO 0.03 0.88 0.07 0.00 -1.64 0.00 0.00 178.16 177.50 3fkh h ALA 99 N 0.81 1.45 0.00 1.82 0.00 -1.03 -2.11 119.26 120.19 3fkh h ALA 99 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fkh h ALA 99 Cb 0.64 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fkh h ALA 99 CO 0.04 0.40 -0.01 -0.44 0.00 0.00 0.00 179.25 179.24 3fkh h ASP 100 N 0.53 0.00 0.50 0.00 3.32 -1.37 -2.01 116.42 117.39 3fkh h ASP 100 Ca 0.12 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.97 3fkh h ASP 100 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3fkh h ASP 100 CO -0.00 0.01 -0.88 0.71 -1.72 0.00 0.00 179.24 177.35 3fkh h THR 101 N 0.00 1.46 -3.64 0.35 1.35 -1.40 -3.46 112.91 107.58 3fkh h THR 101 Ca -0.00 -2.54 -0.53 0.00 -0.55 0.00 0.00 66.41 62.79 3fkh h THR 101 Cb 0.06 2.43 0.06 0.00 -1.73 0.00 0.00 68.15 68.97 3fkh h THR 101 CO 0.00 0.75 0.70 -0.76 -0.25 0.00 0.00 175.52 175.96 3fkh s LEU 102 N -7.54 4.40 -1.34 3.87 1.43 -0.76 -4.91 118.68 113.83 3fkh s LEU 102 Ca -0.04 2.69 -0.15 0.00 -1.03 0.00 0.00 54.13 55.60 3fkh s LEU 102 Cb 0.10 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3fkh s LEU 102 CO 0.84 -0.64 2.19 -1.84 0.23 0.00 0.00 176.35 177.13 3fkh n GLU 103 N 1.55 2.62 -3.65 1.70 -0.00 -1.26 -4.91 120.64 116.69 3fkh n GLU 103 Ca 0.03 -2.45 -0.37 0.00 -0.00 0.00 0.00 57.16 54.37 3fkh n GLU 103 Cb 0.41 -3.21 -0.11 0.00 -0.00 0.00 0.00 31.44 28.53 3fkh n GLU 103 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3fkh s LEU 104 N 1.96 3.90 -0.56 -1.84 2.96 -1.26 -4.97 118.68 118.87 3fkh s LEU 104 Ca 0.49 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 3fkh s LEU 104 Cb 0.14 -2.07 0.14 0.00 0.50 0.00 0.00 46.19 44.90 3fkh s LEU 104 CO -0.05 -0.02 0.31 -0.54 -1.32 0.00 0.00 176.35 174.72 3fkh s LYS 105 N 1.58 2.09 0.91 1.98 -0.14 -1.26 -5.05 119.74 119.84 3fkh s LYS 105 Ca 0.07 -2.75 -0.11 0.00 -1.36 0.00 0.00 55.97 51.82 3fkh s LYS 105 Cb -0.15 -3.35 0.14 0.00 -1.68 0.00 0.00 37.83 32.78 3fkh s LYS 105 CO 0.08 -1.14 1.11 -2.14 -0.76 0.00 0.00 175.35 172.50 3fkh s PRO 106 N -0.49 1.14 0.07 -1.68 0.02 -1.26 -4.77 135.00 128.03 3fkh s PRO 106 Ca 0.18 1.24 -0.20 0.00 0.02 0.00 0.00 61.00 62.25 3fkh s PRO 106 Cb -0.22 -1.76 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 3fkh s PRO 106 CO -0.03 -2.45 1.48 -1.49 -0.33 0.00 0.00 177.00 174.19 3fkh h TRP 107 N -1.72 0.38 -3.21 6.54 6.55 -1.98 -3.36 115.95 119.16 3fkh h TRP 107 Ca -0.47 -0.07 -0.63 0.00 0.95 0.00 0.00 58.89 58.67 3fkh h TRP 107 Cb 1.27 -0.10 -0.41 0.00 -0.86 0.00 0.00 29.16 29.06 3fkh h TRP 107 CO 0.48 0.57 -0.64 0.42 -1.05 0.00 0.00 178.44 178.22 3fkh s ILE 108 N -4.89 2.40 0.23 1.49 1.01 -1.26 -5.10 121.20 115.08 3fkh s ILE 108 Ca -0.14 -3.42 -0.30 0.00 0.00 0.00 0.00 60.65 56.79 3fkh s ILE 108 Cb 0.06 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 3fkh s ILE 108 CO 0.73 -0.88 1.32 -2.16 0.00 0.00 0.00 174.94 173.95 3fkh s PRO 109 N -0.47 4.38 0.30 2.79 0.04 -1.26 -4.90 135.00 135.87 3fkh s PRO 109 Ca 0.20 2.11 0.07 0.00 0.04 0.00 0.00 61.00 63.42 3fkh s PRO 109 Cb -0.19 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3fkh s PRO 109 CO -0.05 -0.24 0.23 0.95 0.04 0.00 0.00 177.00 177.93 3fkh s THR 110 N -0.20 3.86 0.04 1.26 -4.23 -1.26 -5.06 115.64 110.06 3fkh s THR 110 Ca 0.55 -1.43 -0.25 0.00 -1.18 0.00 0.00 61.69 59.37 3fkh s THR 110 Cb -0.38 -3.24 -0.17 0.00 1.34 0.00 0.00 72.50 70.05 3fkh s THR 110 CO 0.42 -0.26 1.48 0.25 -0.54 0.00 0.00 174.62 175.97 3fkh h LEU 111 N 1.40 -0.13 -9.22 4.79 5.85 -2.00 -3.40 115.31 112.60 3fkh h LEU 111 Ca -0.46 -0.18 -0.60 0.00 0.84 0.00 0.00 57.88 57.47 3fkh h LEU 111 Cb 1.25 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.19 3fkh h LEU 111 CO 0.60 0.11 -0.47 -0.54 -0.34 0.00 0.00 178.44 177.80 3fkh s LYS 112 N -5.28 4.16 0.09 1.25 -0.14 -1.26 -5.09 119.74 113.48 3fkh s LYS 112 Ca -0.15 -0.18 -0.13 0.00 -1.36 0.00 0.00 55.97 54.15 3fkh s LYS 112 Cb 0.04 -3.46 0.02 0.00 -1.68 0.00 0.00 37.83 32.75 3fkh s LYS 112 CO 0.64 0.22 0.31 1.52 -0.76 0.00 0.00 175.35 177.27 3fkh s TYR 113 N 0.60 -0.07 -0.04 3.18 1.13 -1.26 -2.10 117.35 118.78 3fkh s TYR 113 Ca 0.09 -0.24 0.03 0.00 -1.41 0.00 0.00 57.07 55.55 3fkh s TYR 113 Cb -0.12 0.12 0.00 0.00 -1.10 0.00 0.00 41.96 40.86 3fkh s TYR 113 CO 0.01 -0.60 -0.14 -0.80 -2.51 0.00 0.00 175.55 171.51 3fkh s ASN 114 N -2.62 1.85 0.28 -0.18 0.02 -0.68 -4.78 114.94 108.83 3fkh s ASN 114 Ca 0.01 -0.30 -0.19 0.00 -1.02 0.00 0.00 52.86 51.36 3fkh s ASN 114 Cb 0.02 -0.58 -0.09 0.00 0.02 0.00 0.00 41.25 40.63 3fkh s ASN 114 CO -0.09 0.11 0.77 -0.31 0.02 0.00 0.00 177.10 177.60 3fkh s TYR 115 N 0.20 3.56 -0.17 2.20 2.02 -1.26 -2.13 117.35 121.77 3fkh s TYR 115 Ca -0.06 1.41 0.01 0.00 -0.37 0.00 0.00 57.07 58.07 3fkh s TYR 115 Cb -0.12 -2.65 0.02 0.00 -0.40 0.00 0.00 41.96 38.81 3fkh s TYR 115 CO 0.02 0.22 -0.19 0.08 -1.57 0.00 0.00 175.55 174.11 3fkh s VAL 116 N -1.70 1.96 -0.24 0.71 1.01 -0.59 -1.08 120.40 120.47 3fkh s VAL 116 Ca 0.48 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 3fkh s VAL 116 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3fkh s VAL 116 CO 0.20 0.53 0.41 -0.60 0.00 0.00 0.00 175.10 175.63 3fkh s ARG 117 N 1.26 4.09 -0.37 2.72 3.52 -0.04 -2.40 118.95 127.73 3fkh s ARG 117 Ca 0.03 0.16 -0.07 0.00 -0.13 0.00 0.00 55.73 55.72 3fkh s ARG 117 Cb -0.13 -3.61 0.05 0.00 -1.56 0.00 0.00 34.95 29.70 3fkh s ARG 117 CO -0.11 -0.20 0.16 0.42 -0.81 0.00 0.00 175.30 174.76 3fkh s ILE 118 N 1.83 3.96 -0.35 4.11 1.01 0.12 -1.84 121.20 130.03 3fkh s ILE 118 Ca 0.18 -1.22 -0.13 0.00 0.00 0.00 0.00 60.65 59.48 3fkh s ILE 118 Cb -0.15 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 3fkh s ILE 118 CO 0.09 -0.30 0.24 -0.69 0.00 0.00 0.00 174.94 174.28 3fkh s VAL 119 N 1.41 5.15 0.20 2.92 1.01 -0.30 -0.81 120.40 129.98 3fkh s VAL 119 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 3fkh s VAL 119 Cb -0.21 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 3fkh s VAL 119 CO 0.03 -0.06 1.58 -2.84 0.00 0.00 0.00 175.10 173.81 3fkh s PRO 120 N 1.69 4.20 -0.15 2.72 0.02 -1.26 -1.44 135.00 140.77 3fkh s PRO 120 Ca 0.05 2.42 -0.12 0.00 0.02 0.00 0.00 61.00 63.38 3fkh s PRO 120 Cb -0.18 -3.12 -0.23 0.00 0.02 0.00 0.00 34.50 30.99 3fkh s PRO 120 CO 0.10 -0.61 0.30 0.09 -0.33 0.00 0.00 177.00 176.54 3fkh n ASN 121 N 3.57 2.03 -3.83 2.53 3.02 0.13 -4.92 115.26 117.79 3fkh n ASN 121 Ca 0.13 0.28 -0.12 0.00 -0.03 0.00 0.00 54.58 54.84 3fkh n ASN 121 Cb 0.38 -0.90 -0.10 0.00 -0.61 0.00 0.00 39.78 38.56 3fkh n ASN 121 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3fkh s GLU 122 N -2.49 0.52 -0.16 3.52 2.12 -0.81 -5.01 118.70 116.39 3fkh s GLU 122 Ca -0.25 -0.25 -0.04 0.00 0.36 0.00 0.00 54.97 54.79 3fkh s GLU 122 Cb 0.06 0.22 0.05 0.00 0.26 0.00 0.00 34.13 34.73 3fkh s GLU 122 CO 0.70 -0.13 0.06 0.42 -0.54 0.00 0.00 175.26 175.77 3fkh s ILE 123 N -1.20 0.17 0.13 -3.70 1.01 -1.26 -0.74 121.20 115.61 3fkh s ILE 123 Ca -0.13 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.36 3fkh s ILE 123 Cb -0.06 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 3fkh s ILE 123 CO 0.02 -0.16 0.02 -0.89 0.00 0.00 0.00 174.94 173.93 3fkh s THR 124 N 2.03 3.97 -0.01 2.92 2.01 -0.38 -4.56 115.64 121.62 3fkh s THR 124 Ca 0.02 -1.16 -0.20 0.00 0.31 0.00 0.00 61.69 60.65 3fkh s THR 124 Cb -0.16 -2.95 0.04 0.00 0.01 0.00 0.00 72.50 69.44 3fkh s THR 124 CO -0.08 0.00 0.43 -0.83 -0.69 0.00 0.00 174.62 173.45 3fkh s GLY 125 N -2.66 -0.29 0.02 4.40 0.00 -1.26 -1.51 107.32 106.02 3fkh s GLY 125 Ca 0.27 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.57 3fkh s GLY 125 CO 0.19 0.32 -0.03 0.50 0.00 0.00 0.00 173.10 174.08 3fkh s ARG 126 N -1.54 0.27 -0.03 2.90 0.52 -0.55 -1.85 118.95 118.65 3fkh s ARG 126 Ca -0.11 -0.52 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 3fkh s ARG 126 Cb -0.03 0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.55 3fkh s ARG 126 CO 0.04 -0.04 0.07 -2.00 0.02 0.00 0.00 175.30 173.39 3fkh s GLU 127 N -1.23 0.04 0.08 3.54 2.12 0.01 -1.66 118.70 121.60 3fkh s GLU 127 Ca -0.13 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.44 3fkh s GLU 127 Cb -0.08 -0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.18 3fkh s GLU 127 CO -0.01 -0.09 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.37 3fkh s PHE 128 N 0.56 1.72 -0.18 5.30 0.08 0.61 -0.07 117.98 125.99 3fkh s PHE 128 Ca -0.04 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 3fkh s PHE 128 Cb -0.06 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 3fkh s PHE 128 CO -0.02 0.16 0.04 0.99 -0.10 0.00 0.00 175.22 176.28 3fkh s THR 129 N -1.06 4.52 -2.17 0.64 2.01 -1.26 -0.74 115.64 117.57 3fkh s THR 129 Ca 0.06 -0.13 0.31 0.00 0.31 0.00 0.00 61.69 62.23 3fkh s THR 129 Cb -0.10 -3.03 0.79 0.00 0.01 0.00 0.00 72.50 70.17 3fkh s THR 129 CO 0.03 0.45 2.06 0.18 -0.69 0.00 0.00 174.62 176.66