#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkh s ASN 3 N 0.00 6.95 0.04 -2.24 -0.87 -1.26 -4.98 114.94 112.59 3fkh s ASN 3 Ca 0.00 2.11 -0.24 0.00 -1.57 0.00 0.00 52.86 53.16 3fkh s ASN 3 Cb 0.00 -2.60 -0.17 0.00 -0.02 0.00 0.00 41.25 38.46 3fkh s ASN 3 CO 0.00 -0.36 1.51 1.55 -2.57 0.00 0.00 177.10 177.23 3fkh h PRO 4 N 2.97 0.03 -6.18 -0.60 0.13 -1.93 -3.41 132.00 123.01 3fkh h PRO 4 Ca -0.48 -0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 3fkh h PRO 4 Cb 1.21 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3fkh h PRO 4 CO 0.64 0.27 0.22 0.08 -0.23 0.00 0.00 178.00 178.98 3fkh s VAL 5 N -5.21 4.96 -0.14 1.56 1.01 -1.26 -1.20 120.40 120.12 3fkh s VAL 5 Ca -0.14 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.55 3fkh s VAL 5 Cb 0.04 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.28 3fkh s VAL 5 CO 0.67 0.20 -0.14 0.21 0.00 0.00 0.00 175.10 176.04 3fkh s ASN 6 N 0.91 2.62 -0.31 3.32 2.47 0.67 -5.00 114.94 119.62 3fkh s ASN 6 Ca 0.43 -0.47 -0.27 0.00 0.42 0.00 0.00 52.86 52.98 3fkh s ASN 6 Cb -0.19 -1.15 0.01 0.00 -1.45 0.00 0.00 41.25 38.47 3fkh s ASN 6 CO 0.22 -0.05 0.95 -0.63 -3.72 0.00 0.00 177.10 173.87 3fkh s ILE 7 N 1.43 4.63 0.52 -5.21 1.01 -1.26 -1.00 121.20 121.33 3fkh s ILE 7 Ca 0.03 1.50 -0.17 0.00 0.00 0.00 0.00 60.65 62.02 3fkh s ILE 7 Cb -0.13 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 3fkh s ILE 7 CO -0.09 -0.38 1.00 -0.76 0.00 0.00 0.00 174.94 174.70 3fkh s LEU 8 N 3.35 3.62 0.64 2.97 1.02 -0.90 -4.99 118.68 124.40 3fkh s LEU 8 Ca 0.40 1.62 0.02 0.00 0.02 0.00 0.00 54.13 56.19 3fkh s LEU 8 Cb -0.13 -4.51 0.10 0.00 0.02 0.00 0.00 46.19 41.66 3fkh s LEU 8 CO 0.14 -0.67 0.89 0.54 0.02 0.00 0.00 176.35 177.27 3fkh s ASN 9 N -2.97 4.73 0.10 2.29 2.20 -1.26 -4.44 114.94 115.58 3fkh s ASN 9 Ca 0.60 -0.43 -0.29 0.00 -0.94 0.00 0.00 52.86 51.80 3fkh s ASN 9 Cb -0.11 -0.11 -0.11 0.00 -2.00 0.00 0.00 41.25 38.92 3fkh s ASN 9 CO 0.31 -1.57 1.47 1.05 -2.94 0.00 0.00 177.10 175.42 3fkh h GLU 10 N -0.21 -0.52 -0.89 3.55 -0.00 -1.99 -0.89 114.58 113.63 3fkh h GLU 10 Ca -0.36 0.04 0.10 0.00 -0.00 0.00 0.00 59.36 59.14 3fkh h GLU 10 Cb 1.28 0.12 -0.08 0.00 -0.00 0.00 0.00 28.75 30.07 3fkh h GLU 10 CO 0.42 -0.35 0.53 0.37 -0.00 0.00 0.00 179.01 179.98 3fkh h GLN 11 N -0.54 0.84 -0.08 1.06 5.75 -1.98 0.59 115.11 120.74 3fkh h GLN 11 Ca 0.02 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3fkh h GLN 11 Cb 0.60 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 3fkh h GLN 11 CO -0.33 0.55 0.02 0.93 -2.65 0.00 0.00 178.83 177.35 3fkh h GLU 12 N 0.86 0.13 -0.74 1.69 5.08 -1.87 0.15 114.58 119.87 3fkh h GLU 12 Ca 0.43 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.83 3fkh h GLU 12 Cb 0.41 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 3fkh h GLU 12 CO -0.26 0.32 0.42 0.00 -1.00 0.00 0.00 179.01 178.50 3fkh h ALA 13 N 0.80 1.01 -0.24 3.43 0.00 -0.74 -1.17 119.26 122.35 3fkh h ALA 13 Ca 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3fkh h ALA 13 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fkh h ALA 13 CO 0.00 0.10 0.01 1.25 0.00 0.00 0.00 179.25 180.61 3fkh h LEU 14 N 0.76 0.40 -0.58 0.00 5.85 -0.73 -2.13 115.31 118.89 3fkh h LEU 14 Ca 0.34 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3fkh h LEU 14 Cb 0.23 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3fkh h LEU 14 CO -0.20 0.60 0.27 -0.33 -0.34 0.00 0.00 178.44 178.44 3fkh h GLU 15 N 0.20 0.49 -0.03 1.25 3.07 -0.35 -1.22 114.58 117.99 3fkh h GLU 15 Ca 0.07 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.92 3fkh h GLU 15 Cb 0.38 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3fkh h GLU 15 CO 0.01 0.32 -0.07 0.00 -1.40 0.00 0.00 179.01 177.87 3fkh h ARG 16 N 0.50 -0.11 -0.98 2.33 -0.00 -1.08 -2.55 114.38 112.49 3fkh h ARG 16 Ca 0.27 0.01 0.12 0.00 -0.50 0.00 0.00 59.98 59.87 3fkh h ARG 16 Cb 0.23 0.02 -0.08 0.00 0.00 0.00 0.00 29.97 30.15 3fkh h ARG 16 CO -0.22 -0.07 0.62 -0.07 0.00 0.00 0.00 179.97 180.23 3fkh h LEU 17 N -0.11 0.89 -2.07 3.04 3.38 -1.01 -0.95 115.31 118.48 3fkh h LEU 17 Ca 0.04 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3fkh h LEU 17 Cb 0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3fkh h LEU 17 CO -0.09 0.49 -0.04 -0.61 0.09 0.00 0.00 178.44 178.27 3fkh h GLN 18 N 0.96 0.00 0.00 1.13 4.15 -0.84 -2.99 115.11 117.53 3fkh h GLN 18 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.90 3fkh h GLN 18 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3fkh h GLN 18 CO -0.24 0.04 -0.22 -1.13 -1.93 0.00 0.00 178.83 175.35 3fkh n SER 19 N -3.25 0.27 -4.32 -0.69 3.41 -0.36 -4.88 113.62 103.81 3fkh n SER 19 Ca -0.01 0.21 -0.20 0.00 -0.26 0.00 0.00 58.87 58.61 3fkh n SER 19 Cb 0.21 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 63.85 3fkh n SER 19 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3fkh s VAL 20 N -3.02 1.69 -0.12 -3.33 -7.23 -1.13 -5.07 120.40 102.19 3fkh s VAL 20 Ca 0.12 -1.96 0.18 0.00 -1.81 0.00 0.00 61.98 58.51 3fkh s VAL 20 Cb 0.18 -1.83 -0.26 0.00 0.56 0.00 0.00 36.38 35.03 3fkh s VAL 20 CO 0.61 -0.42 0.20 -1.54 -0.31 0.00 0.00 175.10 173.64 3fkh n SER 21 N 0.15 0.48 -4.76 4.85 3.41 -1.26 -4.93 113.62 111.56 3fkh n SER 21 Ca -0.12 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.11 3fkh n SER 21 Cb 0.58 1.30 -0.06 0.00 -0.26 0.00 0.00 64.21 65.77 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 -4.99 4.34 0.00 1.04 2.96 -1.26 -0.92 118.68 119.85 3fkh s LEU 22 Ca -0.08 0.82 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3fkh s LEU 22 Cb 0.08 -2.61 0.00 0.00 0.50 0.00 0.00 46.19 44.16 3fkh s LEU 22 CO 0.78 0.13 0.00 0.61 -1.32 0.00 0.00 176.35 176.54 3fkh n GLY 23 N 2.78 3.57 3.04 7.98 0.00 0.40 -4.70 105.19 118.26 3fkh n GLY 23 Ca -0.10 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.70 0.29 -0.06 1.61 0.52 0.19 -0.57 118.95 119.23 3fkh s ARG 24 Ca 0.00 -0.13 0.05 0.00 -0.52 0.00 0.00 55.73 55.13 3fkh s ARG 24 Cb 0.00 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.58 3fkh s ARG 24 CO 0.00 -0.06 -0.22 0.08 0.02 0.00 0.00 175.30 175.13 3fkh s VAL 25 N -0.64 2.36 -0.23 3.52 1.01 -0.72 -0.53 120.40 125.17 3fkh s VAL 25 Ca -0.07 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 3fkh s VAL 25 Cb -0.04 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.46 3fkh s VAL 25 CO 0.01 0.57 -0.06 -0.69 0.00 0.00 0.00 175.10 174.93 3fkh s VAL 26 N -0.23 3.07 0.23 2.92 1.01 0.68 -2.01 120.40 126.08 3fkh s VAL 26 Ca -0.01 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3fkh s VAL 26 Cb -0.13 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3fkh s VAL 26 CO 0.03 0.31 0.35 0.68 0.00 0.00 0.00 175.10 176.47 3fkh s VAL 27 N 1.40 5.23 -0.10 2.92 -7.23 -0.53 -1.93 120.40 120.17 3fkh s VAL 27 Ca 0.03 -0.99 -0.09 0.00 -1.81 0.00 0.00 61.98 59.12 3fkh s VAL 27 Cb -0.15 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 32.98 3fkh s VAL 27 CO -0.04 -0.32 0.26 -0.60 -0.31 0.00 0.00 175.10 174.09 3fkh s ARG 28 N -3.93 0.30 -0.14 4.82 3.52 -1.26 -2.35 118.95 119.92 3fkh s ARG 28 Ca 0.34 0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 56.25 3fkh s ARG 28 Cb -0.09 0.15 0.07 0.00 -1.56 0.00 0.00 34.95 33.51 3fkh s ARG 28 CO 0.29 -0.04 0.24 0.50 -0.81 0.00 0.00 175.30 175.48 3fkh s ARG 29 N 0.12 0.14 6.68 5.12 3.52 -0.25 0.62 118.95 134.90 3fkh s ARG 29 Ca -0.00 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 3fkh s ARG 29 Cb -0.02 -0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.10 3fkh s ARG 29 CO 0.00 -0.36 0.00 0.45 -0.81 0.00 0.00 175.30 174.59 3fkh n SER 30 N 5.34 0.00 -0.53 -2.12 2.88 -1.26 -1.32 113.62 116.61 3fkh n SER 30 Ca -0.06 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.55 3fkh n SER 30 Cb 0.50 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.12 3fkh n SER 30 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3fkh n ASP 31 N 10.21 3.01 -4.92 -3.46 9.92 -1.26 -5.15 116.55 124.90 3fkh n ASP 31 Ca 0.00 -2.49 -0.20 0.00 -0.53 0.00 0.00 54.79 51.57 3fkh n ASP 31 Cb 0.00 -0.32 -0.02 0.00 -0.64 0.00 0.00 41.12 40.14 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 -1.87 2.86 -0.30 -1.24 2.02 -0.43 -5.18 118.70 114.57 3fkh s GLU 32 Ca 0.27 -1.21 -0.33 0.00 0.02 0.00 0.00 54.97 53.72 3fkh s GLU 32 Cb 0.20 -2.62 0.18 0.00 0.10 0.00 0.00 34.13 31.98 3fkh s GLU 32 CO 0.09 0.01 1.39 0.34 0.02 0.00 0.00 175.26 177.11 3fkh s ASP 34 N -4.12 -0.01 -0.02 -0.19 2.15 -0.99 -1.09 116.67 112.40 3fkh s ASP 34 Ca 0.45 0.00 0.04 0.00 0.43 0.00 0.00 52.55 53.47 3fkh s ASP 34 Cb -0.07 0.01 -0.00 0.00 -0.30 0.00 0.00 42.92 42.55 3fkh s ASP 34 CO 0.29 -0.01 -0.12 -0.51 -0.17 0.00 0.00 175.17 174.65 3fkh s ILE 35 N -1.41 1.02 -0.07 4.11 2.07 -1.26 -1.45 121.20 124.22 3fkh s ILE 35 Ca 0.11 -0.52 -0.06 0.00 -1.41 0.00 0.00 60.65 58.76 3fkh s ILE 35 Cb -0.01 -0.87 0.02 0.00 0.13 0.00 0.00 42.46 41.73 3fkh s ILE 35 CO -0.06 0.30 0.18 0.72 -1.91 0.00 0.00 174.94 174.17 3fkh s PHE 36 N -0.07 -0.19 0.45 3.50 -0.12 -0.85 -5.00 117.98 115.69 3fkh s PHE 36 Ca 0.01 0.47 -0.23 0.00 -0.05 0.00 0.00 56.93 57.12 3fkh s PHE 36 Cb -0.07 0.06 -0.08 0.00 -0.63 0.00 0.00 43.02 42.30 3fkh s PHE 36 CO 0.00 -0.11 1.14 -1.25 -0.05 0.00 0.00 175.22 174.96 3fkh s PRO 37 N 0.03 3.84 0.03 1.99 0.04 -1.26 -1.75 135.00 137.91 3fkh s PRO 37 Ca -0.01 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.77 3fkh s PRO 37 Cb -0.02 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 3fkh s PRO 37 CO 0.00 -0.47 -0.07 0.14 0.04 0.00 0.00 177.00 176.65 3fkh s VAL 38 N -1.58 0.45 -0.16 -0.36 -7.23 0.27 -4.90 120.40 106.88 3fkh s VAL 38 Ca 0.62 -0.90 -0.13 0.00 -1.81 0.00 0.00 61.98 59.76 3fkh s VAL 38 Cb -0.27 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.12 3fkh s VAL 38 CO 0.33 -0.32 0.27 0.20 -0.31 0.00 0.00 175.10 175.28 3fkh s ASN 39 N -1.31 6.41 0.31 4.85 0.01 -1.26 -0.45 114.94 123.50 3fkh s ASN 39 Ca -0.09 0.48 0.03 0.00 -0.71 0.00 0.00 52.86 52.57 3fkh s ASN 39 Cb -0.09 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 3fkh s ASN 39 CO 0.00 0.11 0.11 0.72 -1.51 0.00 0.00 177.10 176.54 3fkh s PHE 40 N 0.44 1.68 -0.09 2.20 -0.71 -0.10 -4.36 117.98 117.04 3fkh s PHE 40 Ca 0.16 -1.22 -0.05 0.00 -1.04 0.00 0.00 56.93 54.78 3fkh s PHE 40 Cb -0.13 -1.00 0.04 0.00 -1.21 0.00 0.00 43.02 40.72 3fkh s PHE 40 CO 0.03 -0.32 0.21 -1.50 -1.34 0.00 0.00 175.22 172.30 3fkh s ILE 41 N -3.53 -0.03 0.07 -4.49 1.10 -0.78 -4.73 121.20 108.81 3fkh s ILE 41 Ca 0.35 0.11 -0.19 0.00 -0.51 0.00 0.00 60.65 60.41 3fkh s ILE 41 Cb 0.06 -0.32 -0.07 0.00 0.15 0.00 0.00 42.46 42.29 3fkh s ILE 41 CO 0.15 0.05 0.57 -0.69 -2.11 0.00 0.00 174.94 172.91 3fkh s VAL 42 N 0.92 4.75 -0.29 4.00 1.01 -1.26 -0.85 120.40 128.68 3fkh s VAL 42 Ca -0.07 1.22 -0.13 0.00 0.00 0.00 0.00 61.98 63.01 3fkh s VAL 42 Cb -0.08 -3.90 0.12 0.00 0.00 0.00 0.00 36.38 32.52 3fkh s VAL 42 CO -0.05 0.54 0.71 -0.62 0.00 0.00 0.00 175.10 175.68 3fkh s ASP 43 N -1.03 -1.00 -1.48 3.32 2.15 -0.01 -4.96 116.67 113.67 3fkh s ASP 43 Ca 0.29 1.44 -0.07 0.00 0.43 0.00 0.00 52.55 54.64 3fkh s ASP 43 Cb -0.19 1.92 0.02 0.00 -0.30 0.00 0.00 42.92 44.37 3fkh s ASP 43 CO 0.19 -0.21 0.83 0.29 -0.17 0.00 0.00 175.17 176.09 3fkh n LYS 44 N 4.99 -5.91 -1.06 4.34 4.76 -1.26 -1.85 118.16 122.16 3fkh n LYS 44 Ca -0.14 0.83 -0.02 0.00 -2.87 0.00 0.00 58.31 56.11 3fkh n LYS 44 Cb 0.53 -5.76 -0.01 0.00 -1.84 0.00 0.00 35.03 27.95 3fkh n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fkh n GLY 45 N -1.68 0.45 3.29 0.72 0.00 -1.26 -5.01 105.19 101.70 3fkh n GLY 45 Ca -0.05 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.71 1.87 -0.25 4.61 0.00 -0.77 -4.45 121.76 121.06 3fkh s ALA 46 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 3fkh s ALA 46 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 3fkh s ALA 46 CO 0.00 0.39 0.15 0.42 0.00 0.00 0.00 175.76 176.72 3fkh s ILE 47 N -1.07 5.13 -0.12 0.00 1.01 0.07 -0.83 121.20 125.39 3fkh s ILE 47 Ca 0.08 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 3fkh s ILE 47 Cb -0.10 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3fkh s ILE 47 CO 0.04 0.32 -0.05 -0.31 0.00 0.00 0.00 174.94 174.94 3fkh s TYR 48 N 1.34 3.00 0.01 3.97 1.51 -0.03 0.52 117.35 127.67 3fkh s TYR 48 Ca 0.07 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 3fkh s TYR 48 Cb -0.15 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 3fkh s TYR 48 CO 0.06 0.11 -0.12 0.42 -1.11 0.00 0.00 175.55 174.91 3fkh s ILE 49 N -0.09 0.98 -0.20 2.71 1.01 -0.39 -1.87 121.20 123.35 3fkh s ILE 49 Ca 0.02 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 3fkh s ILE 49 Cb -0.13 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3fkh s ILE 49 CO 0.03 0.15 0.07 -0.60 0.00 0.00 0.00 174.94 174.59 3fkh s ARG 50 N -0.62 3.91 -0.03 2.79 3.52 -1.26 -0.53 118.95 126.73 3fkh s ARG 50 Ca 0.03 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.31 3fkh s ARG 50 Cb -0.06 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 3fkh s ARG 50 CO 0.00 0.16 -0.16 -0.08 -0.81 0.00 0.00 175.30 174.41 3fkh s THR 51 N 0.69 1.33 -0.07 4.11 -1.32 0.40 -4.86 115.64 115.92 3fkh s THR 51 Ca 0.04 -0.70 -0.26 0.00 -1.21 0.00 0.00 61.69 59.56 3fkh s THR 51 Cb -0.13 -1.13 -0.24 0.00 -1.51 0.00 0.00 72.50 69.49 3fkh s THR 51 CO 0.02 0.38 0.98 0.00 -2.21 0.00 0.00 174.62 173.79 3fkh h ALA 52 N 5.97 0.02 0.00 11.08 0.00 -1.86 -1.45 119.26 133.01 3fkh h ALA 52 Ca -0.35 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.01 3fkh h ALA 52 Cb 1.16 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3fkh h ALA 52 CO 0.48 0.03 -0.17 -0.85 0.00 0.00 0.00 179.25 178.74 3fkh n GLU 53 N -4.56 1.42 -0.13 0.00 0.00 -1.26 -4.55 120.64 111.56 3fkh n GLU 53 Ca -0.10 -0.51 -0.11 0.00 0.00 0.00 0.00 57.16 56.45 3fkh n GLU 53 Cb 0.48 -1.55 -0.02 0.00 0.00 0.00 0.00 31.44 30.35 3fkh n GLU 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 3fkh h GLY 54 N 4.19 0.73 1.06 -1.84 0.00 -1.92 -1.70 103.07 103.59 3fkh h GLY 54 Ca 0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 3fkh h GLY 54 CO 0.14 0.50 0.20 3.45 0.00 0.00 0.00 176.54 180.83 3fkh h ASN 55 N 0.49 1.08 0.22 0.19 7.08 -1.94 -2.37 115.58 120.33 3fkh h ASN 55 Ca 0.11 -0.22 -0.01 0.00 -3.08 0.00 0.00 56.30 53.09 3fkh h ASN 55 Cb 0.48 -0.28 0.00 0.00 -2.08 0.00 0.00 38.32 36.44 3fkh h ASN 55 CO 0.02 1.02 -0.11 0.50 -2.08 0.00 0.00 177.43 176.78 3fkh h LYS 56 N 1.09 -0.28 -0.59 4.14 3.64 -1.90 -2.85 116.57 119.81 3fkh h LYS 56 Ca 0.23 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3fkh h LYS 56 Cb 0.34 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3fkh h LYS 56 CO -0.00 -0.02 0.18 1.25 -2.27 0.00 0.00 179.45 178.60 3fkh h LEU 57 N -0.54 0.81 -0.20 5.20 5.85 -1.33 -2.16 115.31 122.95 3fkh h LEU 57 Ca -0.03 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3fkh h LEU 57 Cb 0.40 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3fkh h LEU 57 CO 0.05 0.77 -0.08 0.49 -0.34 0.00 0.00 178.44 179.32 3fkh n PHE 58 N -4.29 0.00 -3.29 1.25 3.01 -0.90 -4.71 117.46 108.53 3fkh n PHE 58 Ca 0.05 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.16 3fkh n PHE 58 Cb 0.20 -0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.45 3fkh n PHE 58 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3fkh n SER 59 N -0.98 4.86 -1.66 4.37 7.64 -0.82 -4.97 113.62 122.06 3fkh n SER 59 Ca 0.15 -3.39 -0.04 0.00 1.01 0.00 0.00 58.87 56.59 3fkh n SER 59 Cb 0.26 -0.95 0.01 0.00 -1.01 0.00 0.00 64.21 62.52 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 1.22 -0.95 -4.77 6.43 3.02 -1.26 -5.01 115.26 113.94 3fkh n ASN 61 Ca 0.27 -2.08 -0.37 0.00 -0.03 0.00 0.00 54.58 52.38 3fkh n ASN 61 Cb 0.37 0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 39.90 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 -1.54 3.98 0.54 3.41 1.43 -1.26 -4.73 118.68 120.50 3fkh s LEU 62 Ca 0.06 2.27 -0.20 0.00 -1.03 0.00 0.00 54.13 55.23 3fkh s LEU 62 Cb 0.19 -4.29 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 3fkh s LEU 62 CO -0.06 -0.94 1.20 0.20 0.23 0.00 0.00 176.35 176.98 3fkh s ASN 63 N -1.44 5.58 0.28 2.29 0.01 0.20 -4.93 114.94 116.94 3fkh s ASN 63 Ca 0.65 2.37 0.02 0.00 -0.71 0.00 0.00 52.86 55.19 3fkh s ASN 63 Cb -0.27 -2.60 0.40 0.00 0.41 0.00 0.00 41.25 39.18 3fkh s ASN 63 CO 0.33 -1.32 1.71 0.45 -1.51 0.00 0.00 177.10 176.76 3fkh h HIS 64 N 1.34 0.55 -3.13 2.20 3.86 -1.88 -3.43 115.15 114.65 3fkh h HIS 64 Ca -0.50 -0.12 -0.55 0.00 -1.16 0.00 0.00 60.37 58.04 3fkh h HIS 64 Cb 1.28 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 3fkh h HIS 64 CO 0.49 0.70 0.66 -0.51 0.86 0.00 0.00 177.93 180.14 3fkh s ASP 65 N -6.81 7.10 0.21 2.45 1.01 -1.26 -0.41 116.67 118.96 3fkh s ASP 65 Ca -0.07 1.74 0.06 0.00 0.71 0.00 0.00 52.55 54.99 3fkh s ASP 65 Cb 0.14 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 3fkh s ASP 65 CO 0.79 -0.54 -0.09 0.68 0.21 0.00 0.00 175.17 176.22 3fkh s VAL 66 N 2.13 1.45 -0.14 -1.27 -7.23 0.14 -4.62 120.40 110.86 3fkh s VAL 66 Ca 0.54 -2.12 -0.05 0.00 -1.81 0.00 0.00 61.98 58.53 3fkh s VAL 66 Cb -0.23 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 3fkh s VAL 66 CO 0.21 -0.52 0.05 -0.76 -0.31 0.00 0.00 175.10 173.77 3fkh s LEU 67 N -3.30 3.81 -0.11 1.32 1.43 -0.81 -1.24 118.68 119.77 3fkh s LEU 67 Ca 0.24 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 3fkh s LEU 67 Cb 0.02 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 3fkh s LEU 67 CO 0.07 0.29 -0.20 0.12 0.23 0.00 0.00 176.35 176.86 3fkh s PHE 68 N -0.33 2.66 0.10 0.29 2.19 0.90 -0.23 117.98 123.56 3fkh s PHE 68 Ca 0.08 -0.94 0.07 0.00 0.33 0.00 0.00 56.93 56.47 3fkh s PHE 68 Cb -0.12 -1.77 -0.03 0.00 -1.31 0.00 0.00 43.02 39.79 3fkh s PHE 68 CO 0.02 -0.37 -0.17 -2.00 1.83 0.00 0.00 175.22 174.53 3fkh s GLU 69 N 0.40 1.01 -0.06 10.12 -6.30 0.32 0.20 118.70 124.38 3fkh s GLU 69 Ca -0.15 -1.14 -0.21 0.00 -2.50 0.00 0.00 54.97 50.98 3fkh s GLU 69 Cb -0.17 -1.08 0.04 0.00 0.00 0.00 0.00 34.13 32.93 3fkh s GLU 69 CO 0.07 0.23 0.47 0.00 0.02 0.00 0.00 175.26 176.05 3fkh s ALA 70 N -1.53 -1.20 0.25 6.30 0.00 -0.88 -0.64 121.76 124.06 3fkh s ALA 70 Ca 0.05 0.86 -0.20 0.00 0.00 0.00 0.00 51.96 52.67 3fkh s ALA 70 Cb -0.08 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3fkh s ALA 70 CO 0.03 -0.29 0.66 0.16 0.00 0.00 0.00 175.76 176.32 3fkh s ASP 71 N -0.98 -0.29 -0.07 0.00 1.47 -1.26 -1.17 116.67 114.37 3fkh s ASP 71 Ca -0.10 -0.53 -0.29 0.00 1.18 0.00 0.00 52.55 52.81 3fkh s ASP 71 Cb -0.03 0.68 0.07 0.00 -0.34 0.00 0.00 42.92 43.29 3fkh s ASP 71 CO 0.05 -1.24 0.65 -0.70 0.68 0.00 0.00 175.17 174.61 3fkh s GLU 72 N -3.90 1.00 -0.26 2.11 2.12 -0.82 -5.01 118.70 113.95 3fkh s GLU 72 Ca 0.10 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.73 3fkh s GLU 72 Cb -0.04 0.47 0.07 0.00 0.26 0.00 0.00 34.13 34.89 3fkh s GLU 72 CO 0.03 -0.29 0.01 0.08 -0.54 0.00 0.00 175.26 174.55 3fkh s VAL 73 N -1.03 1.31 -0.11 3.70 1.01 -1.26 -1.75 120.40 122.27 3fkh s VAL 73 Ca -0.10 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 3fkh s VAL 73 Cb -0.01 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3fkh s VAL 73 CO 0.08 -0.31 0.26 -0.75 0.00 0.00 0.00 175.10 174.39 3fkh s LYS 74 N 1.46 0.25 -1.16 2.72 2.20 -0.56 -4.98 119.74 119.68 3fkh s LYS 74 Ca 0.00 0.49 -0.05 0.00 -0.36 0.00 0.00 55.97 56.06 3fkh s LYS 74 Cb -0.18 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.08 3fkh s LYS 74 CO -0.11 -0.12 0.89 -0.25 -0.36 0.00 0.00 175.35 175.40 3fkh n ASP 75 N 3.81 -4.02 -1.22 1.43 8.00 -1.26 -2.60 116.55 120.69 3fkh n ASP 75 Ca -0.21 -0.74 -0.11 0.00 0.71 0.00 0.00 54.79 54.44 3fkh n ASP 75 Cb 0.55 -4.77 -0.05 0.00 -0.02 0.00 0.00 41.12 36.83 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 -1.31 1.10 3.09 0.44 0.00 -1.26 -4.93 105.19 102.31 3fkh n GLY 76 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.89 1.03 0.01 1.61 2.47 -1.07 -1.28 119.74 119.62 3fkh s LYS 77 Ca 0.00 -0.49 0.04 0.00 -1.56 0.00 0.00 55.97 53.96 3fkh s LYS 77 Cb 0.00 -1.00 -0.01 0.00 -1.46 0.00 0.00 37.83 35.35 3fkh s LYS 77 CO 0.00 0.27 -0.12 0.00 0.16 0.00 0.00 175.35 175.67 3fkh s ALA 78 N -0.35 0.97 0.04 3.13 0.00 -0.02 -1.50 121.76 124.04 3fkh s ALA 78 Ca 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 3fkh s ALA 78 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3fkh s ALA 78 CO -0.00 0.20 -0.02 1.67 0.00 0.00 0.00 175.76 177.61 3fkh s TRP 79 N -0.56 0.44 -0.05 0.00 1.48 -0.72 0.84 118.94 120.38 3fkh s TRP 79 Ca 0.02 -0.92 -0.05 0.00 -1.06 0.00 0.00 56.10 54.09 3fkh s TRP 79 Cb -0.06 -0.33 0.01 0.00 -1.16 0.00 0.00 33.47 31.93 3fkh s TRP 79 CO 0.00 -0.34 0.15 -1.54 -4.06 0.00 0.00 176.95 171.16 3fkh s SER 80 N -2.57 -0.13 -0.07 -2.66 1.04 -0.65 -1.94 113.70 106.72 3fkh s SER 80 Ca 0.02 0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.67 3fkh s SER 80 Cb 0.04 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.47 3fkh s SER 80 CO -0.08 -0.10 -0.07 -0.69 0.98 0.00 0.00 173.24 173.27 3fkh s VAL 81 N -0.15 0.85 -0.19 5.02 1.01 -0.32 -1.60 120.40 125.02 3fkh s VAL 81 Ca -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3fkh s VAL 81 Cb -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.52 3fkh s VAL 81 CO 0.00 0.31 -0.14 -0.69 0.00 0.00 0.00 175.10 174.58 3fkh s VAL 82 N 1.14 2.59 -0.10 2.92 1.01 -0.07 -2.07 120.40 125.82 3fkh s VAL 82 Ca -0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3fkh s VAL 82 Cb -0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3fkh s VAL 82 CO -0.01 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 3fkh s VAL 83 N 1.29 3.61 -0.31 2.92 1.01 0.13 -0.97 120.40 128.07 3fkh s VAL 83 Ca 0.04 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 3fkh s VAL 83 Cb -0.14 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 3fkh s VAL 83 CO -0.08 0.56 0.15 -0.13 0.00 0.00 0.00 175.10 175.60 3fkh s ARG 84 N -0.35 3.28 0.15 2.72 0.52 -0.13 -0.07 118.95 125.08 3fkh s ARG 84 Ca 0.05 -0.76 -0.00 0.00 -0.52 0.00 0.00 55.73 54.50 3fkh s ARG 84 Cb -0.12 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.74 3fkh s ARG 84 CO 0.02 -0.44 0.05 0.00 0.02 0.00 0.00 175.30 174.95 3fkh s ALA 85 N 1.60 1.03 -0.22 2.13 0.00 -0.38 -0.13 121.76 125.80 3fkh s ALA 85 Ca 0.04 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.40 3fkh s ALA 85 Cb -0.17 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 3fkh s ALA 85 CO 0.06 -0.46 0.05 0.99 0.00 0.00 0.00 175.76 176.40 3fkh s THR 86 N -3.95 4.30 0.13 0.00 2.01 -0.69 0.23 115.64 117.67 3fkh s THR 86 Ca 0.26 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 3fkh s THR 86 Cb 0.07 -2.98 -0.07 0.00 0.01 0.00 0.00 72.50 69.54 3fkh s THR 86 CO 0.04 0.39 0.58 0.00 -0.69 0.00 0.00 174.62 174.93 3fkh s ALA 87 N 1.19 3.56 -0.12 7.40 0.00 0.45 -1.09 121.76 133.16 3fkh s ALA 87 Ca 0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 3fkh s ALA 87 Cb -0.14 -2.59 0.03 0.00 0.00 0.00 0.00 23.12 20.42 3fkh s ALA 87 CO 0.03 0.42 0.32 -1.83 0.00 0.00 0.00 175.76 174.70 3fkh s GLU 88 N -1.71 0.35 0.12 0.00 -1.05 -0.24 -4.85 118.70 111.33 3fkh s GLU 88 Ca 0.36 0.47 -0.30 0.00 -0.15 0.00 0.00 54.97 55.35 3fkh s GLU 88 Cb -0.17 0.14 -0.06 0.00 -0.44 0.00 0.00 34.13 33.60 3fkh s GLU 88 CO 0.19 -0.06 0.99 0.42 0.95 0.00 0.00 175.26 177.75 3fkh s ILE 89 N 0.37 4.38 -0.43 1.83 -1.09 -1.26 -0.68 121.20 124.32 3fkh s ILE 89 Ca -0.02 1.97 -0.29 0.00 -2.23 0.00 0.00 60.65 60.09 3fkh s ILE 89 Cb -0.03 -4.26 0.02 0.00 -1.58 0.00 0.00 42.46 36.61 3fkh s ILE 89 CO -0.01 0.30 1.14 -0.69 -1.23 0.00 0.00 174.94 174.45 3fkh s VAL 90 N 0.00 4.27 -0.25 2.92 1.01 -0.21 -4.88 120.40 123.27 3fkh s VAL 90 Ca 0.48 1.35 -0.09 0.00 0.00 0.00 0.00 61.98 63.72 3fkh s VAL 90 Cb -0.25 -4.52 -0.12 0.00 0.00 0.00 0.00 36.38 31.50 3fkh s VAL 90 CO 0.31 -0.84 -0.30 0.54 0.00 0.00 0.00 175.10 174.82 3fkh n ARG 91 N 7.58 0.54 -1.67 2.72 1.74 -1.26 -4.64 116.66 121.67 3fkh n ARG 91 Ca 0.12 0.21 -0.45 0.00 -0.77 0.00 0.00 57.85 56.97 3fkh n ARG 91 Cb 0.48 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 3fkh n ARG 91 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3fkh n LYS 92 N -3.90 2.02 -0.00 5.56 5.02 -1.26 -4.90 118.16 120.70 3fkh n LYS 92 Ca -0.47 0.72 -0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3fkh n LYS 92 Cb 0.87 -2.36 0.29 0.00 -0.02 0.00 0.00 35.03 33.81 3fkh n LYS 92 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3fkh h LEU 93 N 3.99 0.50 -0.27 -0.35 6.46 -2.00 -2.35 115.31 121.29 3fkh h LEU 93 Ca -0.45 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.14 3fkh h LEU 93 Cb 1.28 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 3fkh h LEU 93 CO 0.74 0.58 -0.10 -2.24 -0.62 0.00 0.00 178.44 176.80 3fkh h ASP 94 N 0.50 0.56 -0.82 1.25 3.04 -2.00 -2.31 116.42 116.63 3fkh h ASP 94 Ca 0.11 -0.39 -0.00 0.00 -3.24 0.00 0.00 57.03 53.50 3fkh h ASP 94 Cb 0.35 -0.15 -0.04 0.00 -1.04 0.00 0.00 39.33 38.45 3fkh h ASP 94 CO 0.01 0.82 0.51 -0.33 -2.04 0.00 0.00 179.24 178.22 3fkh h GLU 95 N 0.29 1.11 -0.18 4.15 5.08 -1.91 -1.97 114.58 121.15 3fkh h GLU 95 Ca 0.06 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3fkh h GLU 95 Cb 0.60 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3fkh h GLU 95 CO 0.03 0.76 -0.03 0.82 -1.00 0.00 0.00 179.01 179.60 3fkh h ILE 96 N 1.13 1.28 -0.46 3.13 2.04 -1.40 -1.73 117.51 121.51 3fkh h ILE 96 Ca 0.30 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 65.27 3fkh h ILE 96 Cb -0.07 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 3fkh h ILE 96 CO -0.06 0.29 0.02 0.00 0.00 0.00 0.00 178.15 178.40 3fkh h ALA 97 N 0.74 0.44 -0.34 1.87 0.00 -1.19 -1.93 119.26 118.85 3fkh h ALA 97 Ca 0.05 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3fkh h ALA 97 Cb 0.46 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3fkh h ALA 97 CO 0.02 -0.37 0.16 -0.92 0.00 0.00 0.00 179.25 178.13 3fkh h TYR 98 N 0.13 0.29 -0.39 0.00 3.20 -1.31 -2.58 116.97 116.31 3fkh h TYR 98 Ca 0.23 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.15 3fkh h TYR 98 Cb 0.33 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3fkh h TYR 98 CO -0.28 0.15 0.26 0.00 -1.64 0.00 0.00 178.16 176.65 3fkh h ALA 99 N 1.19 1.91 0.00 1.82 0.00 -0.67 -0.94 119.26 122.56 3fkh h ALA 99 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3fkh h ALA 99 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fkh h ALA 99 CO -0.12 0.04 -0.06 -0.44 0.00 0.00 0.00 179.25 178.67 3fkh h ASP 100 N 0.37 0.00 0.16 0.00 3.32 -0.95 -2.75 116.42 116.57 3fkh h ASP 100 Ca 0.16 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 3fkh h ASP 100 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3fkh h ASP 100 CO -0.04 0.06 -0.36 0.71 -1.72 0.00 0.00 179.24 177.89 3fkh h THR 101 N 0.00 1.29 -3.73 0.35 1.35 -1.17 -3.45 112.91 107.54 3fkh h THR 101 Ca -0.00 -1.41 -0.52 0.00 -0.55 0.00 0.00 66.41 63.93 3fkh h THR 101 Cb 0.24 1.59 0.05 0.00 -1.73 0.00 0.00 68.15 68.30 3fkh h THR 101 CO 0.01 0.43 0.62 -0.76 -0.25 0.00 0.00 175.52 175.57 3fkh s LEU 102 N -8.37 4.44 -1.11 3.87 1.43 -1.04 -4.93 118.68 112.98 3fkh s LEU 102 Ca -0.05 2.55 -0.22 0.00 -1.03 0.00 0.00 54.13 55.39 3fkh s LEU 102 Cb 0.14 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.75 3fkh s LEU 102 CO 0.77 -0.48 1.64 -1.83 0.23 0.00 0.00 176.35 176.69 3fkh s GLU 103 N -1.27 3.49 -0.29 1.70 4.04 -1.26 -4.91 118.70 120.20 3fkh s GLU 103 Ca 0.51 -1.29 0.01 0.00 0.04 0.00 0.00 54.97 54.24 3fkh s GLU 103 Cb -0.38 -5.37 0.06 0.00 0.02 0.00 0.00 34.13 28.47 3fkh s GLU 103 CO 0.47 -2.52 -0.05 -1.17 -1.84 0.00 0.00 175.26 170.15 3fkh s LEU 104 N 5.90 3.81 -0.69 1.83 2.96 -1.26 -4.86 118.68 126.37 3fkh s LEU 104 Ca 0.53 -1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 52.96 3fkh s LEU 104 Cb 0.00 -1.62 0.17 0.00 0.50 0.00 0.00 46.19 45.25 3fkh s LEU 104 CO -0.01 -0.25 0.51 -1.59 -1.32 0.00 0.00 176.35 173.69 3fkh s LYS 105 N 1.13 2.68 0.74 1.98 -2.85 -1.26 -5.01 119.74 117.15 3fkh s LYS 105 Ca -0.05 -2.81 -0.13 0.00 -1.00 0.00 0.00 55.97 51.99 3fkh s LYS 105 Cb -0.20 -3.72 0.04 0.00 -2.06 0.00 0.00 37.83 31.89 3fkh s LYS 105 CO -0.04 -1.20 1.12 -1.25 0.10 0.00 0.00 175.35 174.08 3fkh s PRO 106 N -0.54 2.31 0.26 1.78 0.04 -1.26 -4.82 135.00 132.77 3fkh s PRO 106 Ca 0.20 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 3fkh s PRO 106 Cb -0.16 -1.89 0.39 0.00 0.04 0.00 0.00 34.50 32.87 3fkh s PRO 106 CO -0.06 -1.63 1.89 -1.49 0.04 0.00 0.00 177.00 175.74 3fkh h TRP 107 N -0.67 1.22 -3.07 0.56 6.55 -1.97 -3.35 115.95 115.21 3fkh h TRP 107 Ca -0.45 0.03 -0.58 0.00 0.95 0.00 0.00 58.89 58.84 3fkh h TRP 107 Cb 1.25 -0.40 -0.40 0.00 -0.86 0.00 0.00 29.16 28.75 3fkh h TRP 107 CO 0.54 0.65 -0.76 0.42 -1.05 0.00 0.00 178.44 178.25 3fkh s ILE 108 N -6.05 0.73 0.38 1.49 1.01 -1.26 -5.13 121.20 112.38 3fkh s ILE 108 Ca -0.13 -1.37 -0.23 0.00 0.00 0.00 0.00 60.65 58.93 3fkh s ILE 108 Cb 0.20 -1.56 -0.10 0.00 0.01 0.00 0.00 42.46 41.00 3fkh s ILE 108 CO 0.82 -0.71 0.94 -2.16 0.00 0.00 0.00 174.94 173.82 3fkh s PRO 109 N 1.61 4.35 0.40 2.79 0.04 -1.26 -4.88 135.00 138.05 3fkh s PRO 109 Ca 0.10 1.17 0.08 0.00 0.04 0.00 0.00 61.00 62.39 3fkh s PRO 109 Cb -0.18 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 3fkh s PRO 109 CO -0.25 0.10 0.16 0.95 0.04 0.00 0.00 177.00 178.00 3fkh s THR 110 N -1.95 2.44 -0.07 1.26 -4.23 -1.26 -5.06 115.64 106.76 3fkh s THR 110 Ca 0.57 -1.72 -0.26 0.00 -1.18 0.00 0.00 61.69 59.10 3fkh s THR 110 Cb -0.13 -2.98 -0.24 0.00 1.34 0.00 0.00 72.50 70.50 3fkh s THR 110 CO 0.17 -0.04 1.00 0.25 -0.54 0.00 0.00 174.62 175.46 3fkh h LEU 111 N 1.47 0.11 -9.43 4.79 5.85 -2.01 -3.43 115.31 112.67 3fkh h LEU 111 Ca -0.43 -0.78 -0.61 0.00 0.84 0.00 0.00 57.88 56.90 3fkh h LEU 111 Cb 1.25 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 3fkh h LEU 111 CO 0.69 0.88 -0.34 -0.54 -0.34 0.00 0.00 178.44 178.79 3fkh s LYS 112 N -3.10 4.04 0.31 1.25 3.01 -1.26 -5.08 119.74 118.91 3fkh s LYS 112 Ca -0.17 0.09 -0.18 0.00 -1.01 0.00 0.00 55.97 54.71 3fkh s LYS 112 Cb -0.00 -3.35 0.03 0.00 -1.01 0.00 0.00 37.83 33.50 3fkh s LYS 112 CO 0.71 0.42 0.70 1.52 0.51 0.00 0.00 175.35 179.21 3fkh s TYR 113 N -0.09 0.02 0.04 3.18 1.13 -1.26 -4.77 117.35 115.60 3fkh s TYR 113 Ca 0.17 -0.51 0.01 0.00 -1.41 0.00 0.00 57.07 55.33 3fkh s TYR 113 Cb -0.13 0.64 -0.03 0.00 -1.10 0.00 0.00 41.96 41.34 3fkh s TYR 113 CO 0.05 -1.29 -0.06 -0.80 -2.51 0.00 0.00 175.55 170.94 3fkh s ASN 114 N -2.99 0.69 -0.13 -0.18 -0.87 -0.55 -5.00 114.94 105.92 3fkh s ASN 114 Ca 0.15 -0.63 -0.08 0.00 -1.57 0.00 0.00 52.86 50.73 3fkh s ASN 114 Cb -0.05 0.07 -0.04 0.00 -0.02 0.00 0.00 41.25 41.21 3fkh s ASN 114 CO 0.09 -0.30 0.14 -0.31 -2.57 0.00 0.00 177.10 174.16 3fkh s TYR 115 N -1.89 3.57 -0.14 2.20 2.02 -1.26 -0.45 117.35 121.39 3fkh s TYR 115 Ca -0.08 0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 57.11 3fkh s TYR 115 Cb -0.07 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 3fkh s TYR 115 CO -0.01 0.67 -0.10 0.08 -1.57 0.00 0.00 175.55 174.61 3fkh s VAL 116 N -0.80 3.29 -0.24 0.71 1.01 0.30 -1.05 120.40 123.62 3fkh s VAL 116 Ca 0.14 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 3fkh s VAL 116 Cb -0.12 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3fkh s VAL 116 CO 0.03 0.51 0.10 -0.60 0.00 0.00 0.00 175.10 175.14 3fkh s ARG 117 N 0.44 3.79 -0.33 2.72 3.52 0.15 -1.26 118.95 127.97 3fkh s ARG 117 Ca -0.08 -0.41 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 3fkh s ARG 117 Cb -0.15 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 3fkh s ARG 117 CO 0.04 -0.10 0.16 0.42 -0.81 0.00 0.00 175.30 175.02 3fkh s ILE 118 N 1.40 4.49 -0.41 4.11 1.01 0.19 -1.08 121.20 130.90 3fkh s ILE 118 Ca 0.06 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 3fkh s ILE 118 Cb -0.15 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 38.97 3fkh s ILE 118 CO 0.05 -0.06 0.30 -0.69 0.00 0.00 0.00 174.94 174.54 3fkh s VAL 119 N 1.57 5.13 0.40 2.92 1.01 -0.25 -0.75 120.40 130.44 3fkh s VAL 119 Ca 0.03 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 3fkh s VAL 119 Cb -0.18 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 3fkh s VAL 119 CO 0.06 -0.34 1.42 -2.84 0.00 0.00 0.00 175.10 173.40 3fkh s PRO 120 N 1.65 3.96 -0.14 2.72 0.02 -1.26 -1.70 135.00 140.24 3fkh s PRO 120 Ca 0.04 2.43 -0.09 0.00 0.02 0.00 0.00 61.00 63.40 3fkh s PRO 120 Cb -0.20 -2.83 -0.06 0.00 0.02 0.00 0.00 34.50 31.43 3fkh s PRO 120 CO 0.09 -0.60 -0.21 0.09 -0.33 0.00 0.00 177.00 176.04 3fkh n ASN 121 N 0.20 1.22 -3.98 2.53 3.02 0.81 -4.92 115.26 114.14 3fkh n ASN 121 Ca 0.03 0.21 -0.24 0.00 -0.03 0.00 0.00 54.58 54.54 3fkh n ASN 121 Cb 0.41 -0.49 -0.17 0.00 -0.61 0.00 0.00 39.78 38.92 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 -2.34 1.51 -0.12 3.52 2.12 -1.09 -5.02 118.70 117.29 3fkh s GLU 122 Ca -0.21 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 54.78 3fkh s GLU 122 Cb 0.08 -1.32 -0.02 0.00 0.26 0.00 0.00 34.13 33.13 3fkh s GLU 122 CO 0.28 -0.03 -0.13 0.42 -0.54 0.00 0.00 175.26 175.26 3fkh s ILE 123 N 0.84 3.07 -0.21 -3.70 1.01 -1.26 -0.95 121.20 119.99 3fkh s ILE 123 Ca -0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 3fkh s ILE 123 Cb -0.15 -2.28 0.06 0.00 0.01 0.00 0.00 42.46 40.11 3fkh s ILE 123 CO 0.02 0.53 0.04 -0.89 0.00 0.00 0.00 174.94 174.64 3fkh s THR 124 N 0.19 0.64 0.18 2.92 2.01 -0.15 -4.85 115.64 116.57 3fkh s THR 124 Ca -0.08 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 61.31 3fkh s THR 124 Cb -0.15 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 3fkh s THR 124 CO 0.05 -0.26 -0.08 -0.83 -0.69 0.00 0.00 174.62 172.81 3fkh s GLY 125 N 1.80 1.73 -0.06 4.40 0.00 -1.26 -0.89 107.32 113.04 3fkh s GLY 125 Ca -0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 44.72 43.12 3fkh s GLY 125 CO -0.10 -1.47 0.34 0.50 0.00 0.00 0.00 173.10 172.37 3fkh s ARG 126 N -2.82 0.60 -0.03 2.90 0.52 -0.63 -2.12 118.95 117.37 3fkh s ARG 126 Ca 0.25 0.06 0.04 0.00 -0.52 0.00 0.00 55.73 55.56 3fkh s ARG 126 Cb -0.09 0.27 -0.00 0.00 0.52 0.00 0.00 34.95 35.65 3fkh s ARG 126 CO 0.15 -0.14 -0.15 -2.00 0.02 0.00 0.00 175.30 173.18 3fkh s GLU 127 N -0.80 1.48 -0.07 3.54 2.12 -0.17 -1.64 118.70 123.16 3fkh s GLU 127 Ca -0.09 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 54.74 3fkh s GLU 127 Cb -0.04 -1.34 0.00 0.00 0.26 0.00 0.00 34.13 33.01 3fkh s GLU 127 CO 0.03 0.25 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.77 3fkh s PHE 128 N -0.05 1.83 -0.31 5.30 0.40 0.25 -0.24 117.98 125.16 3fkh s PHE 128 Ca -0.01 -0.66 -0.16 0.00 -0.60 0.00 0.00 56.93 55.50 3fkh s PHE 128 Cb -0.09 -1.27 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 3fkh s PHE 128 CO 0.01 -0.28 0.44 0.99 0.70 0.00 0.00 175.22 177.08 3fkh s THR 129 N 0.39 5.10 0.72 0.64 2.01 -0.34 -0.84 115.64 123.32 3fkh s THR 129 Ca -0.12 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 3fkh s THR 129 Cb -0.15 -3.83 0.12 0.00 0.01 0.00 0.00 72.50 68.65 3fkh s THR 129 CO 0.05 -0.03 0.99 -0.76 -0.69 0.00 0.00 174.62 174.18 3fkh s LEU 130 N 2.20 2.98 -0.37 4.42 1.43 -0.41 -4.87 118.68 124.06 3fkh s LEU 130 Ca 0.17 -0.34 0.12 0.00 -1.03 0.00 0.00 54.13 53.05 3fkh s LEU 130 Cb -0.16 -2.02 0.40 0.00 0.03 0.00 0.00 46.19 44.45 3fkh s LEU 130 CO 0.11 -1.84 1.10 0.61 0.23 0.00 0.00 176.35 176.55 3fkh n GLY 131 N -2.83 1.60 1.18 -3.19 0.00 -1.26 -4.88 105.19 95.81 3fkh n GLY 131 Ca 0.15 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.59 3fkh n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fkh n GLU 132 N -0.17 -2.38 -0.56 1.61 1.02 -1.26 -5.23 120.64 113.67 3fkh n GLU 132 Ca 0.06 1.57 0.00 0.00 -0.02 0.00 0.00 57.16 58.78 3fkh n GLU 132 Cb 0.80 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 3fkh n GLU 132 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70