#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkh s ASP 2 N 0.00 6.14 0.38 1.61 1.01 -1.26 -5.24 116.67 119.31 3fkh s ASP 2 Ca 0.00 0.24 -0.26 0.00 0.71 0.00 0.00 52.55 53.23 3fkh s ASP 2 Cb 0.00 -1.76 -0.09 0.00 1.01 0.00 0.00 42.92 42.09 3fkh s ASP 2 CO 0.00 -0.37 1.23 0.21 0.21 0.00 0.00 175.17 176.45 3fkh s ASN 3 N -4.09 6.54 0.49 0.27 2.47 -1.26 -4.94 114.94 114.42 3fkh s ASN 3 Ca 0.42 2.49 0.18 0.00 0.42 0.00 0.00 52.86 56.36 3fkh s ASN 3 Cb -0.10 -2.63 1.22 0.00 -1.45 0.00 0.00 41.25 38.30 3fkh s ASN 3 CO 0.34 -0.68 2.08 1.55 -3.72 0.00 0.00 177.10 176.68 3fkh h PRO 4 N 2.84 0.00 -6.11 0.43 0.13 -1.96 -3.42 132.00 123.91 3fkh h PRO 4 Ca -0.49 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.05 3fkh h PRO 4 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 3fkh h PRO 4 CO 0.63 0.10 -0.17 0.08 -0.23 0.00 0.00 178.00 178.41 3fkh s VAL 5 N -4.74 4.97 -0.11 1.56 1.01 -1.26 -0.48 120.40 121.34 3fkh s VAL 5 Ca -0.04 0.83 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 3fkh s VAL 5 Cb 0.16 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3fkh s VAL 5 CO 0.66 0.48 0.03 0.21 0.00 0.00 0.00 175.10 176.48 3fkh s ASN 6 N -1.30 1.99 -0.09 3.32 2.47 0.33 -5.00 114.94 116.66 3fkh s ASN 6 Ca 0.28 -0.33 -0.30 0.00 0.42 0.00 0.00 52.86 52.93 3fkh s ASN 6 Cb -0.16 -0.42 -0.02 0.00 -1.45 0.00 0.00 41.25 39.20 3fkh s ASN 6 CO 0.16 -0.25 1.05 -0.63 -3.72 0.00 0.00 177.10 173.71 3fkh s ILE 7 N 1.99 4.66 0.20 -5.21 1.01 -1.26 -1.08 121.20 121.51 3fkh s ILE 7 Ca 0.03 1.93 -0.11 0.00 0.00 0.00 0.00 60.65 62.51 3fkh s ILE 7 Cb -0.14 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 3fkh s ILE 7 CO -0.06 0.01 0.54 -0.76 0.00 0.00 0.00 174.94 174.66 3fkh s LEU 8 N 2.04 4.22 0.95 2.97 1.43 0.15 -4.98 118.68 125.46 3fkh s LEU 8 Ca 0.50 0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 54.40 3fkh s LEU 8 Cb -0.20 -3.55 0.20 0.00 0.03 0.00 0.00 46.19 42.68 3fkh s LEU 8 CO 0.19 -0.02 1.30 0.54 0.23 0.00 0.00 176.35 178.59 3fkh s ASN 9 N -2.18 3.15 0.26 2.29 2.20 -1.26 -4.21 114.94 115.19 3fkh s ASN 9 Ca 0.44 0.16 -0.03 0.00 -0.94 0.00 0.00 52.86 52.49 3fkh s ASN 9 Cb -0.12 -0.20 0.33 0.00 -2.00 0.00 0.00 41.25 39.26 3fkh s ASN 9 CO 0.21 -2.70 1.80 -0.33 -2.94 0.00 0.00 177.10 173.14 3fkh h GLU 10 N -1.56 0.91 -0.07 3.55 5.08 -1.99 -1.62 114.58 118.88 3fkh h GLU 10 Ca -0.43 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 57.72 3fkh h GLU 10 Cb 1.23 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3fkh h GLU 10 CO 0.36 0.81 -0.02 1.96 -1.00 0.00 0.00 179.01 181.12 3fkh h GLN 11 N 0.87 0.14 -0.74 2.33 1.08 -1.96 -2.19 115.11 114.64 3fkh h GLN 11 Ca 0.19 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3fkh h GLN 11 Cb 0.31 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 3fkh h GLN 11 CO -0.00 0.49 0.46 0.93 -0.95 0.00 0.00 178.83 179.75 3fkh h GLU 12 N -0.22 0.99 -0.62 1.46 5.08 -1.92 -0.72 114.58 118.63 3fkh h GLU 12 Ca 0.02 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3fkh h GLU 12 Cb 0.44 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3fkh h GLU 12 CO 0.01 0.69 0.40 0.00 -1.00 0.00 0.00 179.01 179.11 3fkh h ALA 13 N 1.25 0.80 -0.29 3.43 0.00 -1.30 -0.79 119.26 122.35 3fkh h ALA 13 Ca 0.27 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3fkh h ALA 13 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3fkh h ALA 13 CO -0.05 0.19 -0.45 1.25 0.00 0.00 0.00 179.25 180.19 3fkh h LEU 14 N 0.82 0.81 -1.22 0.00 5.85 -1.01 -2.15 115.31 118.41 3fkh h LEU 14 Ca 0.24 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3fkh h LEU 14 Cb -0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3fkh h LEU 14 CO -0.07 1.14 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.75 3fkh h GLU 15 N 0.60 0.43 -0.40 1.25 3.07 -0.94 -2.89 114.58 115.70 3fkh h GLU 15 Ca 0.04 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 3fkh h GLU 15 Cb 1.01 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 3fkh h GLU 15 CO 0.10 0.53 -0.05 -0.09 -1.40 0.00 0.00 179.01 178.10 3fkh h ARG 16 N 0.41 0.74 -1.00 2.33 9.65 -0.84 -3.01 114.38 122.65 3fkh h ARG 16 Ca 0.08 -0.26 0.06 0.00 -1.10 0.00 0.00 59.98 58.76 3fkh h ARG 16 Cb 0.41 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.87 3fkh h ARG 16 CO 0.02 0.85 0.65 -0.07 2.80 0.00 0.00 179.97 184.22 3fkh h LEU 17 N 0.56 1.05 -2.26 3.80 3.38 -1.21 -2.28 115.31 118.34 3fkh h LEU 17 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fkh h LEU 17 Cb 0.55 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3fkh h LEU 17 CO 0.03 0.68 0.00 1.56 0.09 0.00 0.00 178.44 180.80 3fkh h GLN 18 N 1.19 0.00 0.00 1.13 4.20 -1.38 -2.51 115.11 117.75 3fkh h GLN 18 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 3fkh h GLN 18 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3fkh h GLN 18 CO -0.16 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.66 3fkh h SER 19 N 0.00 0.00 -3.44 1.46 4.64 -1.40 -3.46 113.55 111.35 3fkh h SER 19 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 3fkh h SER 19 Cb 0.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.12 3fkh h SER 19 CO 0.00 0.00 -0.71 0.68 -0.87 0.00 0.00 176.83 175.93 3fkh s VAL 20 N -3.29 1.51 -0.26 0.95 -7.23 -0.95 -5.07 120.40 106.06 3fkh s VAL 20 Ca 0.06 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 3fkh s VAL 20 Cb 0.10 -2.06 -0.08 0.00 0.56 0.00 0.00 36.38 34.89 3fkh s VAL 20 CO 0.50 -0.58 0.26 -1.54 -0.31 0.00 0.00 175.10 173.43 3fkh n SER 21 N -0.36 0.93 -4.65 4.85 3.41 -1.26 -4.94 113.62 111.60 3fkh n SER 21 Ca -0.08 -0.53 -0.34 0.00 -0.26 0.00 0.00 58.87 57.66 3fkh n SER 21 Cb 0.61 1.06 -0.10 0.00 -0.26 0.00 0.00 64.21 65.52 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 -2.55 3.42 0.00 1.04 2.96 -1.26 -0.56 118.68 121.73 3fkh s LEU 22 Ca 0.02 0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 3fkh s LEU 22 Cb 0.05 -1.80 0.05 0.00 0.50 0.00 0.00 46.19 44.99 3fkh s LEU 22 CO 0.28 0.36 0.61 0.61 -1.32 0.00 0.00 176.35 176.89 3fkh n GLY 23 N 2.07 1.14 3.18 7.98 0.00 -0.82 -4.68 105.19 114.06 3fkh n GLY 23 Ca -0.18 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.06 0.85 -0.14 1.61 3.00 0.62 0.04 118.95 122.88 3fkh s ARG 24 Ca 0.13 -0.96 0.02 0.00 0.00 0.00 0.00 55.73 54.91 3fkh s ARG 24 Cb -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 34.95 34.04 3fkh s ARG 24 CO 0.07 0.20 -0.20 0.08 0.00 0.00 0.00 175.30 175.45 3fkh s VAL 25 N -1.24 2.28 -0.22 3.52 1.01 -0.73 -0.80 120.40 124.22 3fkh s VAL 25 Ca -0.01 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3fkh s VAL 25 Cb -0.10 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 3fkh s VAL 25 CO 0.02 0.54 0.17 -0.69 0.00 0.00 0.00 175.10 175.14 3fkh s VAL 26 N 0.76 5.36 0.11 2.92 1.01 0.85 -2.31 120.40 129.10 3fkh s VAL 26 Ca -0.08 0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.23 3fkh s VAL 26 Cb -0.16 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3fkh s VAL 26 CO -0.00 0.37 -0.26 0.68 0.00 0.00 0.00 175.10 175.89 3fkh s VAL 27 N 0.86 2.31 -0.18 2.92 -7.23 0.41 -1.89 120.40 117.59 3fkh s VAL 27 Ca 0.09 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 3fkh s VAL 27 Cb -0.13 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.82 3fkh s VAL 27 CO 0.03 0.15 -0.17 -0.60 -0.31 0.00 0.00 175.10 174.20 3fkh s ARG 28 N -1.89 3.09 -0.44 4.82 3.52 -1.26 -0.84 118.95 125.94 3fkh s ARG 28 Ca 0.14 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 3fkh s ARG 28 Cb -0.10 -2.65 0.13 0.00 -1.56 0.00 0.00 34.95 30.77 3fkh s ARG 28 CO 0.06 -0.17 0.21 -0.98 -0.81 0.00 0.00 175.30 173.60 3fkh s ARG 29 N 1.25 1.50 7.57 5.12 1.04 -0.11 -1.59 118.95 133.73 3fkh s ARG 29 Ca 0.03 -2.12 0.00 0.00 -1.04 0.00 0.00 55.73 52.60 3fkh s ARG 29 Cb -0.14 -2.74 0.00 0.00 -2.04 0.00 0.00 34.95 30.03 3fkh s ARG 29 CO -0.09 -1.10 0.00 0.45 -0.04 0.00 0.00 175.30 174.52 3fkh n SER 30 N 3.59 0.00 -0.91 -2.89 2.88 -1.26 -2.34 113.62 112.69 3fkh n SER 30 Ca 0.06 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.60 3fkh n SER 30 Cb 0.35 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.89 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 5.70 2.30 -1.80 -3.46 8.00 -1.26 -5.15 116.55 120.88 3fkh n ASP 31 Ca 0.00 -2.23 -0.06 0.00 0.71 0.00 0.00 54.79 53.20 3fkh n ASP 31 Cb 0.00 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.53 3fkh n ASP 31 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fkh n GLU 32 N 0.14 0.23 -3.53 -1.24 1.02 -0.99 -5.24 120.64 111.02 3fkh n GLU 32 Ca 0.08 -1.15 -0.12 0.00 -0.02 0.00 0.00 57.16 55.94 3fkh n GLU 32 Cb 0.53 1.04 -0.04 0.00 -0.02 0.00 0.00 31.44 32.94 3fkh n GLU 32 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fkh s ASP 34 N -1.86 -0.47 -0.01 1.62 1.01 -0.02 -0.93 116.67 116.01 3fkh s ASP 34 Ca 0.13 0.38 0.05 0.00 0.71 0.00 0.00 52.55 53.81 3fkh s ASP 34 Cb 0.00 0.41 -0.01 0.00 1.01 0.00 0.00 42.92 44.33 3fkh s ASP 34 CO 0.09 -0.53 -0.15 -0.51 0.21 0.00 0.00 175.17 174.28 3fkh s ILE 35 N -1.77 1.22 -0.13 0.77 2.07 -1.26 -0.45 121.20 121.66 3fkh s ILE 35 Ca -0.03 -0.66 -0.11 0.00 -1.41 0.00 0.00 60.65 58.45 3fkh s ILE 35 Cb -0.00 -1.02 0.04 0.00 0.13 0.00 0.00 42.46 41.60 3fkh s ILE 35 CO 0.01 0.35 0.33 0.72 -1.91 0.00 0.00 174.94 174.44 3fkh s PHE 36 N -0.34 -0.39 0.42 3.50 -0.12 -0.98 -5.00 117.98 115.07 3fkh s PHE 36 Ca 0.05 0.93 -0.24 0.00 -0.05 0.00 0.00 56.93 57.63 3fkh s PHE 36 Cb -0.06 0.13 -0.08 0.00 -0.63 0.00 0.00 43.02 42.38 3fkh s PHE 36 CO -0.00 -0.20 1.11 -1.25 -0.05 0.00 0.00 175.22 174.83 3fkh s PRO 37 N 0.43 4.02 0.03 1.99 0.04 -1.26 -1.77 135.00 138.48 3fkh s PRO 37 Ca -0.02 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.70 3fkh s PRO 37 Cb -0.04 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 3fkh s PRO 37 CO -0.02 -0.30 -0.05 0.14 0.04 0.00 0.00 177.00 176.81 3fkh s VAL 38 N -1.56 0.28 0.08 -0.36 -7.23 0.11 -4.91 120.40 106.81 3fkh s VAL 38 Ca 0.59 -0.88 -0.21 0.00 -1.81 0.00 0.00 61.98 59.67 3fkh s VAL 38 Cb -0.26 -0.38 -0.07 0.00 0.56 0.00 0.00 36.38 36.23 3fkh s VAL 38 CO 0.32 -0.39 0.63 0.20 -0.31 0.00 0.00 175.10 175.55 3fkh s ASN 39 N -1.34 7.14 0.16 4.85 0.01 -1.26 -1.95 114.94 122.54 3fkh s ASN 39 Ca -0.12 1.35 -0.04 0.00 -0.71 0.00 0.00 52.86 53.34 3fkh s ASN 39 Cb -0.09 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 3fkh s ASN 39 CO -0.00 0.22 0.17 0.72 -1.51 0.00 0.00 177.10 176.70 3fkh s PHE 40 N -0.94 0.71 -0.02 2.20 -0.71 0.27 -4.29 117.98 115.20 3fkh s PHE 40 Ca 0.31 -1.06 -0.02 0.00 -1.04 0.00 0.00 56.93 55.12 3fkh s PHE 40 Cb -0.20 -0.31 0.00 0.00 -1.21 0.00 0.00 43.02 41.30 3fkh s PHE 40 CO 0.21 -0.63 0.05 -1.50 -1.34 0.00 0.00 175.22 172.01 3fkh s ILE 41 N -4.03 0.01 -0.18 -4.49 1.10 -0.79 -4.67 121.20 108.15 3fkh s ILE 41 Ca 0.23 -0.04 -0.09 0.00 -0.51 0.00 0.00 60.65 60.24 3fkh s ILE 41 Cb 0.06 -0.09 -0.05 0.00 0.15 0.00 0.00 42.46 42.53 3fkh s ILE 41 CO 0.03 -0.02 0.13 -0.69 -2.11 0.00 0.00 174.94 172.27 3fkh s VAL 42 N -0.05 5.38 -0.18 4.00 1.01 -1.26 -0.67 120.40 128.63 3fkh s VAL 42 Ca -0.01 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 3fkh s VAL 42 Cb -0.01 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 33.03 3fkh s VAL 42 CO 0.00 0.49 0.39 -0.62 0.00 0.00 0.00 175.10 175.36 3fkh s ASP 43 N 0.01 -0.22 -1.43 3.32 2.15 0.59 -4.93 116.67 116.17 3fkh s ASP 43 Ca 0.09 0.91 -0.06 0.00 0.43 0.00 0.00 52.55 53.92 3fkh s ASP 43 Cb -0.11 1.13 0.04 0.00 -0.30 0.00 0.00 42.92 43.68 3fkh s ASP 43 CO -0.00 -0.22 0.77 0.29 -0.17 0.00 0.00 175.17 175.84 3fkh n LYS 44 N 5.16 -4.84 -0.87 4.34 5.02 -1.26 -1.66 118.16 124.05 3fkh n LYS 44 Ca -0.11 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3fkh n LYS 44 Cb 0.51 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 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 -1.67 0.55 3.51 0.72 0.00 -1.26 -5.01 105.19 102.02 3fkh n GLY 45 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.57 2.74 -0.21 4.61 0.00 -0.66 -4.46 121.76 121.22 3fkh s ALA 46 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.59 3fkh s ALA 46 Cb 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 3fkh s ALA 46 CO 0.00 0.60 0.12 0.42 0.00 0.00 0.00 175.76 176.91 3fkh s ILE 47 N -1.10 5.26 -0.06 0.00 1.01 -0.49 -0.30 121.20 125.52 3fkh s ILE 47 Ca 0.18 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.00 3fkh s ILE 47 Cb -0.11 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 3fkh s ILE 47 CO 0.10 0.41 -0.14 -0.31 0.00 0.00 0.00 174.94 175.00 3fkh s TYR 48 N 0.59 2.72 0.06 3.97 1.51 0.15 -0.22 117.35 126.14 3fkh s TYR 48 Ca 0.07 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 3fkh s TYR 48 Cb -0.12 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 3fkh s TYR 48 CO 0.00 0.12 -0.10 0.96 -1.11 0.00 0.00 175.55 175.43 3fkh s ILE 49 N -0.55 0.79 -0.14 2.71 -4.36 -0.87 -1.88 121.20 116.89 3fkh s ILE 49 Ca 0.08 -1.26 -0.01 0.00 -0.26 0.00 0.00 60.65 59.19 3fkh s ILE 49 Cb -0.11 -0.90 -0.02 0.00 1.25 0.00 0.00 42.46 42.68 3fkh s ILE 49 CO 0.01 -0.37 -0.11 -0.60 0.24 0.00 0.00 174.94 174.11 3fkh s ARG 50 N -1.88 3.45 0.31 0.37 3.52 -1.26 -1.04 118.95 122.42 3fkh s ARG 50 Ca -0.04 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 3fkh s ARG 50 Cb -0.08 -2.70 -0.06 0.00 -1.56 0.00 0.00 34.95 30.55 3fkh s ARG 50 CO 0.01 0.22 0.07 -0.08 -0.81 0.00 0.00 175.30 174.71 3fkh s THR 51 N 0.34 1.02 0.36 4.11 -1.32 -0.57 -4.87 115.64 114.71 3fkh s THR 51 Ca -0.09 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.29 3fkh s THR 51 Cb -0.15 -2.74 -0.06 0.00 -1.51 0.00 0.00 72.50 68.03 3fkh s THR 51 CO 0.05 0.00 0.71 0.00 -2.21 0.00 0.00 174.62 173.17 3fkh s ALA 52 N -3.39 3.41 -0.46 11.08 0.00 -1.26 -1.61 121.76 129.52 3fkh s ALA 52 Ca 0.36 -0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 3fkh s ALA 52 Cb 0.08 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.60 3fkh s ALA 52 CO 0.15 0.10 1.36 -1.21 0.00 0.00 0.00 175.76 176.17 3fkh s GLU 53 N -3.64 3.53 0.00 0.00 2.02 -1.24 -4.74 118.70 114.63 3fkh s GLU 53 Ca 0.50 0.74 0.00 0.00 0.02 0.00 0.00 54.97 56.23 3fkh s GLU 53 Cb -0.10 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.10 3fkh s GLU 53 CO 0.29 -1.63 0.00 1.28 0.02 0.00 0.00 175.26 175.22 3fkh n LEU 62 N 8.85 0.00 -4.78 1.80 4.32 -1.26 -5.10 117.00 120.83 3fkh n LEU 62 Ca 0.15 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.80 3fkh n LEU 62 Cb 0.48 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.31 3fkh n LEU 62 CO 0.71 0.00 0.75 0.20 -1.22 0.00 0.00 177.39 177.83 3fkh s ASN 63 N 0.00 5.41 0.48 -1.43 0.01 -0.62 -4.98 114.94 113.80 3fkh s ASN 63 Ca 0.00 2.04 0.27 0.00 -0.71 0.00 0.00 52.86 54.46 3fkh s ASN 63 Cb 0.00 -2.56 0.82 0.00 0.41 0.00 0.00 41.25 39.92 3fkh s ASN 63 CO 0.00 -1.43 1.78 0.45 -1.51 0.00 0.00 177.10 176.39 3fkh h HIS 64 N 0.50 0.00 -3.37 2.20 3.86 -1.90 -3.43 115.15 113.01 3fkh h HIS 64 Ca -0.48 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.13 3fkh h HIS 64 Cb 1.25 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.62 3fkh h HIS 64 CO 0.54 0.06 0.38 -0.51 0.86 0.00 0.00 177.93 179.26 3fkh s ASP 65 N -6.01 6.73 0.26 2.45 1.01 -1.26 0.04 116.67 119.88 3fkh s ASP 65 Ca 0.04 0.86 0.08 0.00 0.71 0.00 0.00 52.55 54.23 3fkh s ASP 65 Cb 0.07 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 3fkh s ASP 65 CO 0.62 -0.51 -0.11 0.68 0.21 0.00 0.00 175.17 176.06 3fkh s VAL 66 N 2.79 1.82 -0.06 -1.27 -7.23 0.22 -4.61 120.40 112.07 3fkh s VAL 66 Ca 0.32 -2.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 3fkh s VAL 66 Cb -0.15 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 3fkh s VAL 66 CO 0.09 -0.41 0.04 -0.76 -0.31 0.00 0.00 175.10 173.75 3fkh s LEU 67 N -3.42 3.78 -0.05 1.32 1.43 -0.79 -1.46 118.68 119.49 3fkh s LEU 67 Ca 0.27 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.60 3fkh s LEU 67 Cb 0.01 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3fkh s LEU 67 CO 0.11 0.34 -0.21 0.12 0.23 0.00 0.00 176.35 176.95 3fkh s PHE 68 N -1.01 2.04 -0.00 0.29 2.19 0.25 -0.11 117.98 121.63 3fkh s PHE 68 Ca 0.17 -0.60 0.01 0.00 0.33 0.00 0.00 56.93 56.84 3fkh s PHE 68 Cb -0.12 -1.36 -0.00 0.00 -1.31 0.00 0.00 43.02 40.24 3fkh s PHE 68 CO 0.06 -0.19 -0.04 -2.00 1.83 0.00 0.00 175.22 174.89 3fkh s GLU 69 N -0.05 0.28 -0.07 10.12 -6.30 0.02 -0.03 118.70 122.68 3fkh s GLU 69 Ca -0.04 -0.14 -0.10 0.00 -2.50 0.00 0.00 54.97 52.19 3fkh s GLU 69 Cb -0.13 -0.27 0.02 0.00 0.00 0.00 0.00 34.13 33.76 3fkh s GLU 69 CO 0.03 0.07 0.25 0.00 0.02 0.00 0.00 175.26 175.63 3fkh s ALA 70 N -0.12 -0.62 0.30 6.30 0.00 -0.87 -0.28 121.76 126.47 3fkh s ALA 70 Ca 0.01 0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 3fkh s ALA 70 Cb -0.02 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3fkh s ALA 70 CO -0.00 -0.16 0.52 0.16 0.00 0.00 0.00 175.76 176.28 3fkh s ASP 71 N -0.30 0.27 -0.17 0.00 1.47 -1.26 -0.74 116.67 115.94 3fkh s ASP 71 Ca -0.04 -1.15 -0.29 0.00 1.18 0.00 0.00 52.55 52.25 3fkh s ASP 71 Cb -0.03 0.65 0.11 0.00 -0.34 0.00 0.00 42.92 43.31 3fkh s ASP 71 CO 0.01 -1.27 0.92 -0.70 0.68 0.00 0.00 175.17 174.81 3fkh s GLU 72 N -3.45 0.68 -0.22 2.11 2.12 -0.69 -4.99 118.70 114.26 3fkh s GLU 72 Ca 0.24 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.90 3fkh s GLU 72 Cb -0.01 0.33 0.05 0.00 0.26 0.00 0.00 34.13 34.76 3fkh s GLU 72 CO 0.13 -0.18 -0.09 0.08 -0.54 0.00 0.00 175.26 174.66 3fkh s VAL 73 N -0.75 1.74 -0.14 3.70 1.01 -1.26 -1.83 120.40 122.87 3fkh s VAL 73 Ca -0.02 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 3fkh s VAL 73 Cb -0.02 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.54 3fkh s VAL 73 CO 0.02 0.05 0.34 -0.75 0.00 0.00 0.00 175.10 174.75 3fkh s LYS 74 N 1.32 0.30 -1.33 2.72 2.20 -0.79 -4.97 119.74 119.19 3fkh s LYS 74 Ca -0.04 0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 56.09 3fkh s LYS 74 Cb -0.18 -0.05 0.02 0.00 -1.51 0.00 0.00 37.83 36.11 3fkh s LYS 74 CO -0.07 -0.17 0.46 -0.40 -0.36 0.00 0.00 175.35 174.81 3fkh n ASP 75 N 4.37 -2.21 -1.28 1.43 5.68 -1.26 -2.25 116.55 121.03 3fkh n ASP 75 Ca -0.22 -1.21 -0.15 0.00 -0.50 0.00 0.00 54.79 52.71 3fkh n ASP 75 Cb 0.54 -2.13 -0.06 0.00 -1.14 0.00 0.00 41.12 38.33 3fkh n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fkh n GLY 76 N -2.16 1.23 2.76 6.12 0.00 -1.26 -5.00 105.19 106.89 3fkh n GLY 76 Ca -0.20 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 3fkh n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fkh s LYS 77 N -3.57 0.37 0.26 1.61 -2.85 -0.96 -1.46 119.74 113.15 3fkh s LYS 77 Ca 0.00 0.16 0.09 0.00 -1.00 0.00 0.00 55.97 55.22 3fkh s LYS 77 Cb 0.00 -0.74 -0.04 0.00 -2.06 0.00 0.00 37.83 34.99 3fkh s LYS 77 CO 0.00 -0.26 0.06 0.00 0.10 0.00 0.00 175.35 175.25 3fkh s ALA 78 N 1.76 3.30 0.12 0.59 0.00 -0.03 -1.89 121.76 125.61 3fkh s ALA 78 Ca 0.01 -1.58 -0.24 0.00 0.00 0.00 0.00 51.96 50.15 3fkh s ALA 78 Cb -0.13 -0.94 0.07 0.00 0.00 0.00 0.00 23.12 22.12 3fkh s ALA 78 CO -0.04 0.26 0.64 1.67 0.00 0.00 0.00 175.76 178.29 3fkh s TRP 79 N -2.26 -0.53 -0.02 0.00 1.48 -0.76 0.45 118.94 117.30 3fkh s TRP 79 Ca 0.32 0.39 -0.13 0.00 -1.06 0.00 0.00 56.10 55.61 3fkh s TRP 79 Cb -0.07 0.54 0.02 0.00 -1.16 0.00 0.00 33.47 32.81 3fkh s TRP 79 CO 0.21 -0.80 0.28 -1.54 -4.06 0.00 0.00 176.95 171.04 3fkh s SER 80 N -2.58 -0.16 -0.07 -2.66 1.04 -0.61 -1.71 113.70 106.96 3fkh s SER 80 Ca 0.00 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.49 3fkh s SER 80 Cb -0.01 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.45 3fkh s SER 80 CO -0.11 -0.41 -0.02 -0.69 0.98 0.00 0.00 173.24 172.99 3fkh s VAL 81 N -1.25 0.50 -0.10 5.02 1.01 0.08 -1.89 120.40 123.76 3fkh s VAL 81 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3fkh s VAL 81 Cb -0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 3fkh s VAL 81 CO 0.04 0.26 -0.04 -0.69 0.00 0.00 0.00 175.10 174.67 3fkh s VAL 82 N 1.64 3.91 -0.05 2.92 1.01 -0.19 -2.05 120.40 127.59 3fkh s VAL 82 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3fkh s VAL 82 Cb -0.13 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3fkh s VAL 82 CO -0.04 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 3fkh s VAL 83 N -0.51 1.07 -0.16 2.92 1.01 0.96 -1.04 120.40 124.64 3fkh s VAL 83 Ca 0.08 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 3fkh s VAL 83 Cb -0.12 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3fkh s VAL 83 CO 0.02 0.33 0.19 -0.13 0.00 0.00 0.00 175.10 175.52 3fkh s ARG 84 N 0.53 4.07 0.19 2.72 0.52 -0.24 -0.59 118.95 126.14 3fkh s ARG 84 Ca -0.11 -0.08 -0.17 0.00 -0.52 0.00 0.00 55.73 54.85 3fkh s ARG 84 Cb -0.14 -3.37 0.03 0.00 0.52 0.00 0.00 34.95 31.98 3fkh s ARG 84 CO 0.03 0.38 0.50 0.00 0.02 0.00 0.00 175.30 176.23 3fkh s ALA 85 N 0.09 -0.87 -0.21 2.13 0.00 -0.53 -0.07 121.76 122.29 3fkh s ALA 85 Ca 0.13 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 3fkh s ALA 85 Cb -0.12 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 3fkh s ALA 85 CO 0.02 -0.78 0.17 0.99 0.00 0.00 0.00 175.76 176.15 3fkh s THR 86 N -3.87 5.37 -0.16 0.00 2.01 -0.59 -0.61 115.64 117.78 3fkh s THR 86 Ca 0.09 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 3fkh s THR 86 Cb -0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3fkh s THR 86 CO -0.03 0.39 0.08 0.00 -0.69 0.00 0.00 174.62 174.37 3fkh s ALA 87 N 0.68 3.55 -0.05 7.40 0.00 0.11 -0.00 121.76 133.43 3fkh s ALA 87 Ca 0.09 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 3fkh s ALA 87 Cb -0.12 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.10 3fkh s ALA 87 CO 0.01 0.32 0.13 -1.83 0.00 0.00 0.00 175.76 174.39 3fkh s GLU 88 N -0.08 0.09 0.12 0.00 -1.05 -0.46 -4.76 118.70 112.56 3fkh s GLU 88 Ca 0.08 0.29 -0.31 0.00 -0.15 0.00 0.00 54.97 54.88 3fkh s GLU 88 Cb -0.12 -0.11 -0.08 0.00 -0.44 0.00 0.00 34.13 33.38 3fkh s GLU 88 CO 0.01 -0.12 1.36 0.42 0.95 0.00 0.00 175.26 177.88 3fkh s ILE 89 N 0.83 3.37 -0.31 1.83 -1.09 -1.26 -0.48 121.20 124.09 3fkh s ILE 89 Ca -0.06 1.00 -0.29 0.00 -2.23 0.00 0.00 60.65 59.07 3fkh s ILE 89 Cb -0.08 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 3fkh s ILE 89 CO -0.04 0.09 1.15 -0.69 -1.23 0.00 0.00 174.94 174.22 3fkh s VAL 90 N 0.98 4.38 -0.03 2.92 1.01 0.14 -4.86 120.40 124.94 3fkh s VAL 90 Ca 0.63 1.59 0.03 0.00 0.00 0.00 0.00 61.98 64.23 3fkh s VAL 90 Cb -0.36 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 3fkh s VAL 90 CO 0.31 -0.46 0.01 0.54 0.00 0.00 0.00 175.10 175.50 3fkh n ARG 91 N 6.99 3.32 -1.86 2.72 1.74 -1.26 -4.56 116.66 123.76 3fkh n ARG 91 Ca 0.13 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 3fkh n ARG 91 Cb 0.47 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.80 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 -2.09 3.92 0.52 5.56 1.02 -1.26 -4.88 119.74 122.54 3fkh s LYS 92 Ca -0.02 2.19 0.23 0.00 0.02 0.00 0.00 55.97 58.39 3fkh s LYS 92 Cb 0.01 -4.11 1.42 0.00 -0.52 0.00 0.00 37.83 34.63 3fkh s LYS 92 CO 0.13 -1.17 2.12 -0.07 -0.92 0.00 0.00 175.35 175.44 3fkh h LEU 93 N 11.41 0.00 -0.59 3.17 4.07 -2.00 -2.29 115.31 129.08 3fkh h LEU 93 Ca -0.42 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.47 3fkh h LEU 93 Cb 1.20 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.92 3fkh h LEU 93 CO 0.96 0.08 0.09 -2.24 -1.08 0.00 0.00 178.44 176.25 3fkh h ASP 94 N 0.00 0.94 -0.63 -0.43 3.04 -2.00 -1.67 116.42 115.67 3fkh h ASP 94 Ca -0.00 -0.26 -0.06 0.00 -3.24 0.00 0.00 57.03 53.46 3fkh h ASP 94 Cb 0.18 -0.25 -0.03 0.00 -1.04 0.00 0.00 39.33 38.19 3fkh h ASP 94 CO 0.01 0.97 0.15 -0.33 -2.04 0.00 0.00 179.24 177.99 3fkh h GLU 95 N 0.88 1.02 -0.49 4.15 5.08 -1.82 -2.24 114.58 121.16 3fkh h GLU 95 Ca 0.18 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3fkh h GLU 95 Cb 0.43 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3fkh h GLU 95 CO 0.01 0.92 0.29 0.82 -1.00 0.00 0.00 179.01 180.05 3fkh h ILE 96 N 0.93 1.04 -0.63 3.13 2.04 -1.33 0.77 117.51 123.47 3fkh h ILE 96 Ca 0.20 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3fkh h ILE 96 Cb 0.37 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3fkh h ILE 96 CO 0.00 0.11 0.38 0.00 0.00 0.00 0.00 178.15 178.64 3fkh h ALA 97 N 1.22 0.82 -0.46 1.87 0.00 -1.06 -1.70 119.26 119.95 3fkh h ALA 97 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3fkh h ALA 97 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3fkh h ALA 97 CO -0.09 0.11 0.15 -0.92 0.00 0.00 0.00 179.25 178.49 3fkh h TYR 98 N 0.73 0.74 -0.76 0.00 3.20 -1.05 -3.01 116.97 116.82 3fkh h TYR 98 Ca 0.26 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.15 3fkh h TYR 98 Cb 0.06 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.06 3fkh h TYR 98 CO -0.06 0.66 0.50 0.00 -1.64 0.00 0.00 178.16 177.62 3fkh h ALA 99 N 1.00 1.81 0.00 1.82 0.00 -0.24 -0.83 119.26 122.82 3fkh h ALA 99 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3fkh h ALA 99 Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fkh h ALA 99 CO -0.01 0.04 -0.12 -0.44 0.00 0.00 0.00 179.25 178.72 3fkh h ASP 100 N 0.67 0.00 0.74 0.00 3.32 -1.19 -2.16 116.42 117.81 3fkh h ASP 100 Ca 0.35 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.37 3fkh h ASP 100 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3fkh h ASP 100 CO -0.13 0.12 -0.14 0.71 -1.72 0.00 0.00 179.24 178.08 3fkh h THR 101 N 0.00 0.43 -3.52 0.35 1.35 -1.17 -3.44 112.91 106.91 3fkh h THR 101 Ca -0.00 -0.79 -0.52 0.00 -0.55 0.00 0.00 66.41 64.55 3fkh h THR 101 Cb 0.23 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3fkh h THR 101 CO 0.02 0.14 0.46 -0.76 -0.25 0.00 0.00 175.52 175.13 3fkh s LEU 102 N -6.77 4.47 -0.56 3.87 1.43 -0.81 -4.96 118.68 115.35 3fkh s LEU 102 Ca -0.01 2.02 -0.27 0.00 -1.03 0.00 0.00 54.13 54.84 3fkh s LEU 102 Cb 0.11 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 3fkh s LEU 102 CO 0.59 -0.23 1.66 -1.83 0.23 0.00 0.00 176.35 176.78 3fkh s GLU 103 N -0.10 3.00 -0.32 1.70 4.04 -1.26 -4.90 118.70 120.86 3fkh s GLU 103 Ca 0.50 0.62 -0.02 0.00 0.04 0.00 0.00 54.97 56.11 3fkh s GLU 103 Cb -0.28 -4.26 0.11 0.00 0.02 0.00 0.00 34.13 29.73 3fkh s GLU 103 CO 0.33 -2.30 0.16 -1.17 -1.84 0.00 0.00 175.26 170.44 3fkh s LEU 104 N 7.51 0.97 -0.67 1.83 2.96 -1.26 -4.79 118.68 125.22 3fkh s LEU 104 Ca 0.62 -1.66 -0.10 0.00 -0.22 0.00 0.00 54.13 52.77 3fkh s LEU 104 Cb -0.13 -0.46 0.17 0.00 0.50 0.00 0.00 46.19 46.28 3fkh s LEU 104 CO 0.24 -0.39 0.56 -1.59 -1.32 0.00 0.00 176.35 173.85 3fkh s LYS 105 N 1.65 3.01 0.76 1.98 0.00 -1.26 -4.97 119.74 120.90 3fkh s LYS 105 Ca 0.12 -2.30 -0.12 0.00 0.00 0.00 0.00 55.97 53.68 3fkh s LYS 105 Cb -0.19 -4.10 0.05 0.00 0.00 0.00 0.00 37.83 33.60 3fkh s LYS 105 CO -0.22 -1.24 1.11 -1.25 0.00 0.00 0.00 175.35 173.75 3fkh s PRO 106 N 0.43 2.23 0.14 1.78 0.04 -1.26 -4.84 135.00 133.52 3fkh s PRO 106 Ca 0.14 1.31 -0.21 0.00 0.04 0.00 0.00 61.00 62.29 3fkh s PRO 106 Cb -0.18 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.48 3fkh s PRO 106 CO -0.05 -1.68 1.67 -1.49 0.04 0.00 0.00 177.00 175.49 3fkh h TRP 107 N -0.86 -0.35 -3.27 0.56 6.55 -1.98 -3.34 115.95 113.25 3fkh h TRP 107 Ca -0.45 0.03 -0.62 0.00 0.95 0.00 0.00 58.89 58.80 3fkh h TRP 107 Cb 1.24 0.19 -0.40 0.00 -0.86 0.00 0.00 29.16 29.33 3fkh h TRP 107 CO 0.55 -0.21 -0.72 0.42 -1.05 0.00 0.00 178.44 177.44 3fkh s ILE 108 N -6.16 1.68 0.61 1.49 1.01 -1.26 -5.13 121.20 113.45 3fkh s ILE 108 Ca -0.14 -2.33 -0.14 0.00 0.00 0.00 0.00 60.65 58.04 3fkh s ILE 108 Cb 0.11 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3fkh s ILE 108 CO 0.68 -0.75 1.05 -2.16 0.00 0.00 0.00 174.94 173.76 3fkh s PRO 109 N 0.71 3.31 0.14 2.79 0.04 -1.26 -4.99 135.00 135.74 3fkh s PRO 109 Ca 0.14 1.09 0.06 0.00 0.04 0.00 0.00 61.00 62.32 3fkh s PRO 109 Cb -0.22 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3fkh s PRO 109 CO -0.08 -0.81 -0.13 0.95 0.04 0.00 0.00 177.00 176.96 3fkh s THR 110 N -2.66 1.35 0.11 1.26 -4.23 -1.26 -5.07 115.64 105.14 3fkh s THR 110 Ca 0.61 -1.85 -0.19 0.00 -1.18 0.00 0.00 61.69 59.07 3fkh s THR 110 Cb -0.14 -1.66 -0.07 0.00 1.34 0.00 0.00 72.50 71.96 3fkh s THR 110 CO 0.42 -0.51 1.71 -0.07 -0.54 0.00 0.00 174.62 175.63 3fkh h LEU 111 N 3.24 0.27 -9.14 4.79 -0.00 -2.00 -3.40 115.31 109.07 3fkh h LEU 111 Ca -0.39 -0.08 -0.60 0.00 -0.00 0.00 0.00 57.88 56.81 3fkh h LEU 111 Cb 1.20 -0.07 -0.11 0.00 -0.00 0.00 0.00 40.66 41.68 3fkh h LEU 111 CO 0.55 0.28 -0.16 -0.75 -0.00 0.00 0.00 178.44 178.35 3fkh s LYS 112 N -5.89 4.18 0.01 1.13 2.47 -1.26 -5.06 119.74 115.33 3fkh s LYS 112 Ca -0.13 0.26 -0.20 0.00 -1.56 0.00 0.00 55.97 54.34 3fkh s LYS 112 Cb 0.08 -3.54 0.04 0.00 -1.46 0.00 0.00 37.83 32.95 3fkh s LYS 112 CO 0.70 -0.06 0.44 1.52 0.16 0.00 0.00 175.35 178.12 3fkh s TYR 113 N 1.36 -0.33 0.13 4.03 1.13 -1.26 -3.62 117.35 118.78 3fkh s TYR 113 Ca 0.21 0.43 0.08 0.00 -1.41 0.00 0.00 57.07 56.37 3fkh s TYR 113 Cb -0.15 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 3fkh s TYR 113 CO 0.08 -0.54 -0.09 -0.80 -2.51 0.00 0.00 175.55 171.70 3fkh s ASN 114 N -1.67 4.39 -0.13 -0.18 -0.87 -0.63 -4.93 114.94 110.92 3fkh s ASN 114 Ca -0.09 -0.44 -0.04 0.00 -1.57 0.00 0.00 52.86 50.72 3fkh s ASN 114 Cb -0.02 -0.82 -0.03 0.00 -0.02 0.00 0.00 41.25 40.35 3fkh s ASN 114 CO 0.02 0.15 0.02 -0.31 -2.57 0.00 0.00 177.10 174.41 3fkh s TYR 115 N -1.39 3.19 -0.17 2.20 2.02 -1.26 -1.51 117.35 120.42 3fkh s TYR 115 Ca 0.23 0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.98 3fkh s TYR 115 Cb -0.10 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3fkh s TYR 115 CO 0.15 0.28 -0.11 0.08 -1.57 0.00 0.00 175.55 174.38 3fkh s VAL 116 N -0.23 3.02 -0.32 0.71 1.01 -0.21 0.27 120.40 124.65 3fkh s VAL 116 Ca 0.06 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3fkh s VAL 116 Cb -0.12 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3fkh s VAL 116 CO 0.02 0.49 0.32 -0.60 0.00 0.00 0.00 175.10 175.33 3fkh s ARG 117 N 0.96 3.66 -0.37 2.72 3.52 0.36 -2.05 118.95 127.76 3fkh s ARG 117 Ca -0.02 -0.38 -0.13 0.00 -0.13 0.00 0.00 55.73 55.07 3fkh s ARG 117 Cb -0.15 -3.77 0.01 0.00 -1.56 0.00 0.00 34.95 29.48 3fkh s ARG 117 CO -0.01 -0.44 0.24 0.42 -0.81 0.00 0.00 175.30 174.70 3fkh s ILE 118 N 1.94 5.02 -0.39 4.11 1.01 0.69 -1.35 121.20 132.23 3fkh s ILE 118 Ca 0.11 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 3fkh s ILE 118 Cb -0.17 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.63 3fkh s ILE 118 CO 0.11 -0.15 0.25 -0.69 0.00 0.00 0.00 174.94 174.46 3fkh s VAL 119 N 1.65 4.90 0.06 2.92 1.01 0.99 -1.39 120.40 130.54 3fkh s VAL 119 Ca 0.05 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 60.95 3fkh s VAL 119 Cb -0.18 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 3fkh s VAL 119 CO 0.09 -0.26 1.88 -2.65 0.00 0.00 0.00 175.10 174.15 3fkh n PRO 120 N 5.07 2.67 -0.10 2.72 -0.02 -1.26 -1.55 135.00 142.54 3fkh n PRO 120 Ca -0.11 0.98 -0.20 0.00 -2.02 0.00 0.00 63.50 62.15 3fkh n PRO 120 Cb 0.47 -2.88 -0.12 0.00 -0.02 0.00 0.00 33.50 30.95 3fkh n PRO 120 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3fkh h ASN 121 N 9.23 0.00 -4.13 2.55 2.35 -0.83 -3.48 115.58 121.27 3fkh h ASN 121 Ca -0.48 -0.60 -0.39 0.00 -0.55 0.00 0.00 56.30 54.28 3fkh h ASN 121 Cb 1.24 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 39.33 3fkh h ASN 121 CO 0.94 1.37 -0.78 -0.70 -1.65 0.00 0.00 177.43 176.61 3fkh s GLU 122 N -2.32 0.74 -0.16 0.81 2.12 -1.01 -5.01 118.70 113.87 3fkh s GLU 122 Ca -0.26 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 54.64 3fkh s GLU 122 Cb 0.04 -0.70 0.05 0.00 0.26 0.00 0.00 34.13 33.77 3fkh s GLU 122 CO 0.60 0.19 0.00 0.42 -0.54 0.00 0.00 175.26 175.93 3fkh s ILE 123 N -0.39 0.69 -0.13 -3.70 1.01 -1.26 -1.08 121.20 116.34 3fkh s ILE 123 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3fkh s ILE 123 Cb -0.05 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 3fkh s ILE 123 CO -0.00 -0.00 -0.14 -0.89 0.00 0.00 0.00 174.94 173.90 3fkh s THR 124 N 1.81 2.93 -0.03 2.92 2.01 -0.20 -4.63 115.64 120.45 3fkh s THR 124 Ca 0.01 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 3fkh s THR 124 Cb -0.16 -2.22 0.02 0.00 0.01 0.00 0.00 72.50 70.15 3fkh s THR 124 CO -0.07 0.53 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.53 3fkh s GLY 125 N 0.40 0.30 -0.04 4.40 0.00 -1.26 -1.03 107.32 110.10 3fkh s GLY 125 Ca -0.11 0.00 0.02 0.00 0.00 0.00 0.00 44.72 44.64 3fkh s GLY 125 CO 0.05 0.34 -0.10 0.50 0.00 0.00 0.00 173.10 173.90 3fkh s ARG 126 N 0.68 1.17 -0.07 2.90 0.52 -0.79 0.32 118.95 123.67 3fkh s ARG 126 Ca -0.08 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.85 3fkh s ARG 126 Cb -0.11 -1.05 -0.01 0.00 0.52 0.00 0.00 34.95 34.30 3fkh s ARG 126 CO -0.01 0.08 -0.20 -2.00 0.02 0.00 0.00 175.30 173.19 3fkh s GLU 127 N 0.38 2.75 -0.01 3.54 2.12 -0.24 -1.57 118.70 125.68 3fkh s GLU 127 Ca -0.07 -0.82 0.06 0.00 0.36 0.00 0.00 54.97 54.51 3fkh s GLU 127 Cb -0.11 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.95 3fkh s GLU 127 CO 0.01 0.38 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.85 3fkh s PHE 128 N -0.13 1.79 -0.39 5.30 0.40 0.17 -0.51 117.98 124.61 3fkh s PHE 128 Ca -0.03 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 3fkh s PHE 128 Cb -0.14 -1.14 0.03 0.00 0.51 0.00 0.00 43.02 42.28 3fkh s PHE 128 CO 0.04 -0.02 0.24 0.99 0.70 0.00 0.00 175.22 177.18 3fkh s THR 129 N -0.51 4.77 0.61 0.64 2.01 0.37 -0.85 115.64 122.69 3fkh s THR 129 Ca 0.08 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 3fkh s THR 129 Cb -0.08 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 3fkh s THR 129 CO -0.00 -0.29 0.99 -0.76 -0.69 0.00 0.00 174.62 173.86 3fkh s LEU 130 N 1.59 3.24 -0.34 4.42 1.43 -0.54 -4.84 118.68 123.64 3fkh s LEU 130 Ca 0.03 1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 54.29 3fkh s LEU 130 Cb -0.20 -4.17 0.05 0.00 0.03 0.00 0.00 46.19 41.91 3fkh s LEU 130 CO 0.07 -0.92 0.09 -0.83 0.23 0.00 0.00 176.35 174.99 3fkh s GLY 131 N -4.21 1.84 0.00 -3.19 0.00 -1.26 -4.88 107.32 95.61 3fkh s GLY 131 Ca 0.54 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 43.40 3fkh s GLY 131 CO 0.51 0.79 0.18 -2.21 0.00 0.00 0.00 173.10 172.37