#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 6.43 0.76 1.61 1.01 -1.26 -5.27 116.67 119.95 3fkh s ASP 2 Ca 0.00 0.46 -0.11 0.00 0.71 0.00 0.00 52.55 53.61 3fkh s ASP 2 Cb 0.00 -2.04 0.05 0.00 1.01 0.00 0.00 42.92 41.94 3fkh s ASP 2 CO 0.00 0.05 1.08 0.54 0.21 0.00 0.00 175.17 177.05 3fkh s ASN 3 N -2.65 4.73 0.46 0.27 4.22 -1.26 -4.95 114.94 115.76 3fkh s ASN 3 Ca 0.39 1.62 0.18 0.00 -2.14 0.00 0.00 52.86 52.91 3fkh s ASN 3 Cb -0.12 -2.40 1.12 0.00 1.28 0.00 0.00 41.25 41.13 3fkh s ASN 3 CO 0.27 -1.86 2.01 1.55 -2.04 0.00 0.00 177.10 177.02 3fkh h PRO 4 N -1.01 0.00 -6.03 3.55 0.13 -1.95 -3.42 132.00 123.27 3fkh h PRO 4 Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 3fkh h PRO 4 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 3fkh h PRO 4 CO 0.55 0.18 0.13 0.08 -0.23 0.00 0.00 178.00 178.71 3fkh s VAL 5 N -4.48 5.02 -0.23 1.56 1.01 -1.26 -1.68 120.40 120.34 3fkh s VAL 5 Ca -0.04 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 3fkh s VAL 5 Cb 0.15 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3fkh s VAL 5 CO 0.67 0.22 -0.08 0.21 0.00 0.00 0.00 175.10 176.12 3fkh s ASN 6 N 0.86 4.10 -0.17 3.32 2.47 0.13 -4.97 114.94 120.67 3fkh s ASN 6 Ca 0.38 -0.68 -0.29 0.00 0.42 0.00 0.00 52.86 52.68 3fkh s ASN 6 Cb -0.18 -1.65 -0.00 0.00 -1.45 0.00 0.00 41.25 37.96 3fkh s ASN 6 CO 0.18 -0.07 1.10 -0.63 -3.72 0.00 0.00 177.10 173.95 3fkh s ILE 7 N 1.37 4.57 0.26 -5.21 1.01 -1.26 -1.04 121.20 120.89 3fkh s ILE 7 Ca 0.03 1.88 -0.12 0.00 0.00 0.00 0.00 60.65 62.44 3fkh s ILE 7 Cb -0.15 -4.21 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 3fkh s ILE 7 CO -0.06 -0.11 0.62 -0.76 0.00 0.00 0.00 174.94 174.63 3fkh s LEU 8 N 2.91 4.15 0.73 2.97 1.02 -0.14 -4.98 118.68 125.34 3fkh s LEU 8 Ca 0.48 1.08 -0.07 0.00 0.02 0.00 0.00 54.13 55.64 3fkh s LEU 8 Cb -0.18 -3.79 0.08 0.00 0.02 0.00 0.00 46.19 42.32 3fkh s LEU 8 CO 0.12 -0.10 1.05 0.54 0.02 0.00 0.00 176.35 177.98 3fkh s ASN 9 N -2.25 4.63 0.18 2.29 2.20 -1.26 -4.45 114.94 116.27 3fkh s ASN 9 Ca 0.49 0.42 -0.13 0.00 -0.94 0.00 0.00 52.86 52.70 3fkh s ASN 9 Cb -0.11 -1.00 0.18 0.00 -2.00 0.00 0.00 41.25 38.32 3fkh s ASN 9 CO 0.20 -1.73 1.71 -0.08 -2.94 0.00 0.00 177.10 174.25 3fkh h GLU 10 N -0.72 0.19 -0.35 3.55 4.81 -1.99 0.11 114.58 120.19 3fkh h GLU 10 Ca -0.44 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3fkh h GLU 10 Cb 1.31 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 3fkh h GLU 10 CO 0.58 0.13 0.21 1.96 -0.73 0.00 0.00 179.01 181.15 3fkh h GLN 11 N 0.20 0.48 -0.71 1.92 4.20 -1.99 -0.24 115.11 118.97 3fkh h GLN 11 Ca 0.24 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3fkh h GLN 11 Cb 0.34 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3fkh h GLN 11 CO -0.34 0.37 0.41 0.93 -0.67 0.00 0.00 178.83 179.53 3fkh h GLU 12 N 0.45 0.98 -0.28 1.46 5.08 -1.82 0.87 114.58 121.33 3fkh h GLU 12 Ca 0.12 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3fkh h GLU 12 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3fkh h GLU 12 CO -0.02 0.71 0.16 0.00 -1.00 0.00 0.00 179.01 178.86 3fkh h ALA 13 N 1.21 0.35 -0.66 3.43 0.00 -0.46 -1.85 119.26 121.29 3fkh h ALA 13 Ca 0.25 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3fkh h ALA 13 Cb -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3fkh h ALA 13 CO -0.04 -0.14 0.12 -0.07 0.00 0.00 0.00 179.25 179.12 3fkh h LEU 14 N 0.34 1.03 -0.98 0.00 3.38 -0.76 -0.53 115.31 117.80 3fkh h LEU 14 Ca 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3fkh h LEU 14 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3fkh h LEU 14 CO -0.02 1.01 0.48 -0.33 0.09 0.00 0.00 178.44 179.67 3fkh h GLU 15 N 1.01 1.19 -0.24 1.13 5.08 -0.73 -0.97 114.58 121.05 3fkh h GLU 15 Ca 0.20 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 3fkh h GLU 15 Cb 0.41 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3fkh h GLU 15 CO 0.01 0.87 -0.44 -0.09 -1.00 0.00 0.00 179.01 178.35 3fkh h ARG 16 N 1.20 0.62 -0.48 2.33 9.65 -0.97 -2.78 114.38 123.95 3fkh h ARG 16 Ca 0.30 -0.34 -0.06 0.00 -1.10 0.00 0.00 59.98 58.79 3fkh h ARG 16 Cb 0.02 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 3fkh h ARG 16 CO -0.05 0.94 0.07 1.25 2.80 0.00 0.00 179.97 184.98 3fkh h LEU 17 N 0.50 0.76 -1.92 3.80 5.85 -0.67 -2.69 115.31 120.94 3fkh h LEU 17 Ca 0.03 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3fkh h LEU 17 Cb 0.97 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3fkh h LEU 17 CO 0.09 0.84 -0.09 1.56 -0.34 0.00 0.00 178.44 180.50 3fkh h GLN 18 N 0.66 0.00 0.00 1.25 4.20 -1.11 -3.12 115.11 116.99 3fkh h GLN 18 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3fkh h GLN 18 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3fkh h GLN 18 CO 0.01 0.09 0.00 0.66 -0.67 0.00 0.00 178.83 178.92 3fkh h SER 19 N 0.00 0.00 -2.17 1.46 4.64 -1.19 -3.44 113.55 112.85 3fkh h SER 19 Ca -0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3fkh h SER 19 Cb 0.36 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.31 3fkh h SER 19 CO 0.01 0.00 -0.67 0.68 -0.87 0.00 0.00 176.83 175.99 3fkh s VAL 20 N -3.57 2.04 -0.08 0.95 -7.23 -1.18 -5.08 120.40 106.24 3fkh s VAL 20 Ca 0.02 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.05 3fkh s VAL 20 Cb 0.09 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 3fkh s VAL 20 CO 0.51 -0.19 0.15 -1.54 -0.31 0.00 0.00 175.10 173.73 3fkh n SER 21 N -0.77 0.28 -4.50 4.85 3.41 -1.26 -4.95 113.62 110.68 3fkh n SER 21 Ca -0.05 -0.64 -0.34 0.00 -0.26 0.00 0.00 58.87 57.58 3fkh n SER 21 Cb 0.64 0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 65.27 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 -1.66 3.28 0.00 1.04 2.96 -1.26 -1.17 118.68 121.86 3fkh s LEU 22 Ca 0.01 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3fkh s LEU 22 Cb 0.01 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3fkh s LEU 22 CO 0.05 0.16 0.20 0.61 -1.32 0.00 0.00 176.35 176.04 3fkh n GLY 23 N 3.60 3.06 3.13 7.98 0.00 0.02 -4.70 105.19 118.28 3fkh n GLY 23 Ca -0.17 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.58 1.24 -0.11 1.61 3.00 0.86 -0.08 118.95 122.89 3fkh s ARG 24 Ca 0.19 -0.55 0.01 0.00 0.00 0.00 0.00 55.73 55.37 3fkh s ARG 24 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 34.95 33.74 3fkh s ARG 24 CO 0.13 0.33 -0.13 0.08 0.00 0.00 0.00 175.30 175.71 3fkh s VAL 25 N -0.37 3.13 -0.20 3.52 1.01 -0.89 0.00 120.40 126.60 3fkh s VAL 25 Ca 0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3fkh s VAL 25 Cb -0.06 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3fkh s VAL 25 CO -0.01 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.91 3fkh s VAL 26 N 0.00 3.54 0.23 2.92 1.01 0.78 -1.99 120.40 126.89 3fkh s VAL 26 Ca -0.04 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3fkh s VAL 26 Cb -0.14 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3fkh s VAL 26 CO 0.04 0.44 0.06 0.68 0.00 0.00 0.00 175.10 176.33 3fkh s VAL 27 N 1.08 3.87 0.00 2.92 -7.23 -0.07 -1.65 120.40 119.33 3fkh s VAL 27 Ca 0.01 -1.59 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 3fkh s VAL 27 Cb -0.15 -3.04 -0.00 0.00 0.56 0.00 0.00 36.38 33.76 3fkh s VAL 27 CO 0.00 -0.28 0.12 -0.60 -0.31 0.00 0.00 175.10 174.03 3fkh s ARG 28 N -3.49 0.44 -0.35 4.82 3.52 -1.26 -1.76 118.95 120.87 3fkh s ARG 28 Ca 0.31 -0.38 0.04 0.00 -0.13 0.00 0.00 55.73 55.57 3fkh s ARG 28 Cb -0.08 0.18 0.17 0.00 -1.56 0.00 0.00 34.95 33.66 3fkh s ARG 28 CO 0.21 -0.10 0.48 0.50 -0.81 0.00 0.00 175.30 175.58 3fkh s ARG 29 N -1.29 0.62 7.96 5.12 3.52 -0.30 0.01 118.95 134.60 3fkh s ARG 29 Ca -0.14 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 3fkh s ARG 29 Cb -0.07 -0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.02 3fkh s ARG 29 CO 0.01 -1.14 0.00 0.43 -0.81 0.00 0.00 175.30 173.79 3fkh n SER 30 N 4.69 0.00 -0.09 -2.12 7.64 -1.26 -2.77 113.62 119.70 3fkh n SER 30 Ca 0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.86 3fkh n SER 30 Cb 0.50 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.75 3fkh n SER 30 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3fkh h ASP 31 N 0.00 0.85 -3.83 6.43 3.32 -2.04 -3.53 116.42 117.62 3fkh h ASP 31 Ca 0.00 -0.35 -0.46 0.00 0.02 0.00 0.00 57.03 56.23 3fkh h ASP 31 Cb 0.00 -0.24 0.08 0.00 0.22 0.00 0.00 39.33 39.39 3fkh h ASP 31 CO 0.00 1.10 0.24 -1.61 -1.72 0.00 0.00 179.24 177.24 3fkh s GLU 32 N -4.46 2.37 -0.18 3.56 2.02 -1.12 -5.16 118.70 115.73 3fkh s GLU 32 Ca -0.10 -0.14 -0.33 0.00 0.02 0.00 0.00 54.97 54.43 3fkh s GLU 32 Cb 0.12 -2.17 0.14 0.00 0.10 0.00 0.00 34.13 32.32 3fkh s GLU 32 CO 0.85 -1.14 1.16 0.34 0.02 0.00 0.00 175.26 176.49 3fkh s ASP 34 N -4.47 -0.19 0.00 -0.19 2.15 -0.72 -1.16 116.67 112.10 3fkh s ASP 34 Ca 0.59 0.08 0.05 0.00 0.43 0.00 0.00 52.55 53.70 3fkh s ASP 34 Cb -0.11 0.18 -0.02 0.00 -0.30 0.00 0.00 42.92 42.68 3fkh s ASP 34 CO 0.45 -0.26 -0.16 -0.51 -0.17 0.00 0.00 175.17 174.52 3fkh s ILE 35 N -2.04 1.30 -0.08 4.11 2.07 -1.26 -0.89 121.20 124.41 3fkh s ILE 35 Ca 0.07 -0.80 -0.06 0.00 -1.41 0.00 0.00 60.65 58.45 3fkh s ILE 35 Cb -0.01 -1.10 0.03 0.00 0.13 0.00 0.00 42.46 41.51 3fkh s ILE 35 CO -0.05 0.29 0.20 0.72 -1.91 0.00 0.00 174.94 174.19 3fkh s PHE 36 N -0.50 -0.23 0.59 3.50 -0.12 -0.84 -5.00 117.98 115.37 3fkh s PHE 36 Ca 0.06 0.58 -0.18 0.00 -0.05 0.00 0.00 56.93 57.33 3fkh s PHE 36 Cb -0.07 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 3fkh s PHE 36 CO -0.00 -0.14 1.16 -1.25 -0.05 0.00 0.00 175.22 174.95 3fkh s PRO 37 N 0.47 3.07 -0.01 1.99 0.04 -1.26 -2.10 135.00 137.19 3fkh s PRO 37 Ca -0.03 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 3fkh s PRO 37 Cb -0.04 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.54 3fkh s PRO 37 CO -0.02 -1.09 0.17 0.14 0.04 0.00 0.00 177.00 176.23 3fkh s VAL 38 N -1.77 0.07 0.15 -0.36 -7.23 0.88 -4.90 120.40 107.25 3fkh s VAL 38 Ca 0.74 -0.56 -0.14 0.00 -1.81 0.00 0.00 61.98 60.21 3fkh s VAL 38 Cb -0.27 -0.44 -0.07 0.00 0.56 0.00 0.00 36.38 36.17 3fkh s VAL 38 CO 0.32 -0.31 0.54 0.20 -0.31 0.00 0.00 175.10 175.55 3fkh s ASN 39 N -1.16 6.80 0.21 4.85 0.01 -1.26 -0.80 114.94 123.60 3fkh s ASN 39 Ca -0.12 1.06 -0.12 0.00 -0.71 0.00 0.00 52.86 52.97 3fkh s ASN 39 Cb -0.06 -2.28 -0.00 0.00 0.41 0.00 0.00 41.25 39.31 3fkh s ASN 39 CO 0.02 0.09 0.41 0.72 -1.51 0.00 0.00 177.10 176.83 3fkh s PHE 40 N -1.49 0.35 0.00 2.20 -0.71 -0.32 -4.51 117.98 113.51 3fkh s PHE 40 Ca 0.38 -0.70 0.01 0.00 -1.04 0.00 0.00 56.93 55.58 3fkh s PHE 40 Cb -0.15 0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.76 3fkh s PHE 40 CO 0.19 -0.88 -0.04 -1.50 -1.34 0.00 0.00 175.22 171.65 3fkh s ILE 41 N -3.99 0.28 -0.18 -4.49 1.10 -0.91 -4.72 121.20 108.28 3fkh s ILE 41 Ca 0.20 -0.29 -0.09 0.00 -0.51 0.00 0.00 60.65 59.95 3fkh s ILE 41 Cb 0.01 -0.27 -0.05 0.00 0.15 0.00 0.00 42.46 42.30 3fkh s ILE 41 CO 0.05 -0.01 0.12 -0.69 -2.11 0.00 0.00 174.94 172.30 3fkh s VAL 42 N -0.31 5.37 -0.15 4.00 1.01 -1.26 -0.98 120.40 128.08 3fkh s VAL 42 Ca -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 3fkh s VAL 42 Cb -0.03 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 33.00 3fkh s VAL 42 CO -0.00 0.47 0.26 -0.62 0.00 0.00 0.00 175.10 175.21 3fkh s ASP 43 N 0.13 0.56 -1.43 3.32 2.15 0.14 -4.90 116.67 116.63 3fkh s ASP 43 Ca 0.09 0.40 -0.07 0.00 0.43 0.00 0.00 52.55 53.40 3fkh s ASP 43 Cb -0.11 0.66 0.04 0.00 -0.30 0.00 0.00 42.92 43.21 3fkh s ASP 43 CO -0.01 -0.26 0.82 0.29 -0.17 0.00 0.00 175.17 175.84 3fkh n LYS 44 N 5.35 -5.06 -1.16 4.34 5.02 -1.26 -1.89 118.16 123.49 3fkh n LYS 44 Ca -0.06 0.59 -0.06 0.00 -2.02 0.00 0.00 58.31 56.76 3fkh n LYS 44 Cb 0.50 -5.28 -0.02 0.00 -0.02 0.00 0.00 35.03 30.21 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 -1.66 0.76 3.27 0.72 0.00 -1.26 -5.02 105.19 102.00 3fkh n GLY 45 Ca -0.13 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.99 1.95 -0.22 4.61 0.00 -0.79 -4.42 121.76 120.89 3fkh s ALA 46 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 3fkh s ALA 46 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3fkh s ALA 46 CO 0.00 0.47 0.28 0.42 0.00 0.00 0.00 175.76 176.93 3fkh s ILE 47 N -0.59 5.28 -0.09 0.00 1.01 -0.08 -0.68 121.20 126.05 3fkh s ILE 47 Ca 0.09 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.20 3fkh s ILE 47 Cb -0.09 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3fkh s ILE 47 CO -0.00 0.30 -0.14 -0.31 0.00 0.00 0.00 174.94 174.79 3fkh s TYR 48 N 1.19 2.76 -0.00 3.97 1.51 -0.15 0.34 117.35 126.96 3fkh s TYR 48 Ca 0.13 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 3fkh s TYR 48 Cb -0.14 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3fkh s TYR 48 CO 0.06 -0.02 -0.13 0.42 -1.11 0.00 0.00 175.55 174.77 3fkh s ILE 49 N -0.17 1.04 -0.25 2.71 1.01 -0.66 -2.15 121.20 122.72 3fkh s ILE 49 Ca -0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 3fkh s ILE 49 Cb -0.13 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 3fkh s ILE 49 CO 0.03 0.25 0.10 -0.60 0.00 0.00 0.00 174.94 174.73 3fkh s ARG 50 N -0.41 3.75 0.13 2.79 3.52 -1.26 -0.62 118.95 126.85 3fkh s ARG 50 Ca 0.05 -0.43 0.09 0.00 -0.13 0.00 0.00 55.73 55.31 3fkh s ARG 50 Cb -0.05 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 3fkh s ARG 50 CO -0.00 -0.16 -0.16 -0.08 -0.81 0.00 0.00 175.30 174.08 3fkh s THR 51 N 1.60 2.93 -0.17 4.11 -1.32 0.01 -4.88 115.64 117.92 3fkh s THR 51 Ca 0.06 -1.55 -0.20 0.00 -1.21 0.00 0.00 61.69 58.80 3fkh s THR 51 Cb -0.15 -2.37 -0.17 0.00 -1.51 0.00 0.00 72.50 68.30 3fkh s THR 51 CO 0.06 0.05 0.30 0.00 -2.21 0.00 0.00 174.62 172.82 3fkh h ALA 52 N 3.53 0.12 0.00 11.08 0.00 -1.85 -1.25 119.26 130.89 3fkh h ALA 52 Ca -0.49 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.64 3fkh h ALA 52 Cb 1.18 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3fkh h ALA 52 CO 0.48 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.52 3fkh n GLU 53 N -4.54 0.71 -0.30 0.00 -0.58 -1.26 -4.51 120.64 110.16 3fkh n GLU 53 Ca -0.19 0.00 0.24 0.00 -0.42 0.00 0.00 57.16 56.79 3fkh n GLU 53 Cb 0.50 -1.29 0.55 0.00 -0.57 0.00 0.00 31.44 30.63 3fkh n GLU 53 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3fkh h GLY 54 N 3.94 0.94 1.05 0.62 0.00 -1.89 0.35 103.07 108.08 3fkh h GLY 54 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 3fkh h GLY 54 CO 0.00 -0.09 -0.49 -0.57 0.00 0.00 0.00 176.54 175.39 3fkh h ASN 55 N 0.33 0.85 0.03 0.19 -0.73 -1.94 -1.56 115.58 112.74 3fkh h ASN 55 Ca 0.56 -0.55 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 3fkh h ASN 55 Cb 1.53 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.88 3fkh h ASN 55 CO -0.22 1.24 -0.01 0.50 -0.37 0.00 0.00 177.43 178.56 3fkh h LYS 56 N 0.49 -0.04 -0.91 6.67 3.11 -0.86 -2.65 116.57 122.38 3fkh h LYS 56 Ca 0.01 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.86 3fkh h LYS 56 Cb 1.10 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 32.29 3fkh h LYS 56 CO 0.11 0.24 0.60 -0.07 -2.81 0.00 0.00 179.45 177.52 3fkh h LEU 57 N -0.31 1.03 -1.12 5.20 -0.00 -0.55 -2.50 115.31 117.06 3fkh h LEU 57 Ca -0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.79 3fkh h LEU 57 Cb 0.29 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 3fkh h LEU 57 CO 0.01 0.74 -0.31 0.15 -0.00 0.00 0.00 178.44 179.03 3fkh h PHE 58 N 1.22 0.00 -0.86 1.13 3.57 -1.27 -3.42 116.94 117.31 3fkh h PHE 58 Ca 0.34 0.00 -0.73 0.00 3.53 0.00 0.00 57.97 61.11 3fkh h PHE 58 Cb -0.12 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.53 3fkh h PHE 58 CO -0.01 0.31 2.67 0.43 -2.23 0.00 0.00 178.31 179.47 3fkh n SER 59 N -3.55 6.78 -1.66 0.41 7.64 -0.94 -4.83 113.62 117.46 3fkh n SER 59 Ca -0.00 -2.99 -0.04 0.00 1.01 0.00 0.00 58.87 56.85 3fkh n SER 59 Cb 0.45 -1.47 0.02 0.00 -1.01 0.00 0.00 64.21 62.20 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 3.26 -0.97 -4.78 6.43 3.02 -1.26 -5.06 115.26 115.90 3fkh n ASN 61 Ca 0.57 -1.76 -0.35 0.00 -0.03 0.00 0.00 54.58 53.02 3fkh n ASN 61 Cb 0.30 0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.83 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 -1.62 3.88 0.40 3.41 1.43 -1.26 -4.76 118.68 120.15 3fkh s LEU 62 Ca 0.04 2.07 -0.26 0.00 -1.03 0.00 0.00 54.13 54.94 3fkh s LEU 62 Cb 0.18 -4.47 -0.09 0.00 0.03 0.00 0.00 46.19 41.84 3fkh s LEU 62 CO -0.05 -0.89 1.22 0.21 0.23 0.00 0.00 176.35 177.08 3fkh s ASN 63 N -1.78 6.46 0.39 2.29 3.84 0.10 -4.93 114.94 121.30 3fkh s ASN 63 Ca 0.67 2.48 0.07 0.00 0.21 0.00 0.00 52.86 56.29 3fkh s ASN 63 Cb -0.21 -2.63 0.78 0.00 -0.55 0.00 0.00 41.25 38.64 3fkh s ASN 63 CO 0.25 -0.73 1.97 1.12 -2.79 0.00 0.00 177.10 176.91 3fkh h HIS 64 N 2.71 0.43 -2.89 0.43 2.07 -1.89 -3.42 115.15 112.58 3fkh h HIS 64 Ca -0.49 -0.02 -0.55 0.00 -2.85 0.00 0.00 60.37 56.46 3fkh h HIS 64 Cb 1.24 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 31.07 3fkh h HIS 64 CO 0.54 0.39 0.86 -0.51 -3.07 0.00 0.00 177.93 176.15 3fkh s ASP 65 N -6.77 6.88 0.18 3.10 1.01 -1.26 0.05 116.67 119.86 3fkh s ASP 65 Ca -0.07 1.99 0.04 0.00 0.71 0.00 0.00 52.55 55.22 3fkh s ASP 65 Cb 0.16 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 3fkh s ASP 65 CO 0.74 -0.74 -0.06 0.68 0.21 0.00 0.00 175.17 176.00 3fkh s VAL 66 N 2.85 1.11 -0.04 -1.27 -7.23 0.85 -4.61 120.40 112.06 3fkh s VAL 66 Ca 0.62 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3fkh s VAL 66 Cb -0.28 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 3fkh s VAL 66 CO 0.23 -0.56 0.05 -0.76 -0.31 0.00 0.00 175.10 173.75 3fkh s LEU 67 N -3.23 3.77 -0.05 1.32 1.43 -0.66 -1.27 118.68 120.00 3fkh s LEU 67 Ca 0.22 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 3fkh s LEU 67 Cb 0.04 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3fkh s LEU 67 CO 0.04 0.32 -0.16 0.12 0.23 0.00 0.00 176.35 176.90 3fkh s PHE 68 N -1.06 1.68 0.02 0.29 2.19 0.03 -0.16 117.98 120.97 3fkh s PHE 68 Ca 0.18 -0.52 0.02 0.00 0.33 0.00 0.00 56.93 56.94 3fkh s PHE 68 Cb -0.12 -1.15 -0.01 0.00 -1.31 0.00 0.00 43.02 40.43 3fkh s PHE 68 CO 0.09 -0.20 -0.06 -2.00 1.83 0.00 0.00 175.22 174.88 3fkh s GLU 69 N 0.17 0.45 0.01 10.12 -6.30 0.10 0.01 118.70 123.26 3fkh s GLU 69 Ca -0.06 -0.45 -0.09 0.00 -2.50 0.00 0.00 54.97 51.86 3fkh s GLU 69 Cb -0.12 -0.32 0.01 0.00 0.00 0.00 0.00 34.13 33.69 3fkh s GLU 69 CO 0.03 0.07 0.19 0.00 0.02 0.00 0.00 175.26 175.57 3fkh s ALA 70 N -0.73 -0.41 0.22 6.30 0.00 -0.77 -0.10 121.76 126.27 3fkh s ALA 70 Ca -0.04 -0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.57 3fkh s ALA 70 Cb -0.06 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.28 3fkh s ALA 70 CO 0.00 -0.28 0.72 0.16 0.00 0.00 0.00 175.76 176.37 3fkh s ASP 71 N -1.66 -0.34 -0.06 0.00 1.47 -1.26 -1.16 116.67 113.66 3fkh s ASP 71 Ca -0.11 -0.40 -0.28 0.00 1.18 0.00 0.00 52.55 52.95 3fkh s ASP 71 Cb -0.05 0.65 0.06 0.00 -0.34 0.00 0.00 42.92 43.25 3fkh s ASP 71 CO -0.00 -1.17 0.62 -0.70 0.68 0.00 0.00 175.17 174.60 3fkh s GLU 72 N -3.77 0.97 -0.39 2.11 2.12 -0.81 -5.00 118.70 113.94 3fkh s GLU 72 Ca 0.08 0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.67 3fkh s GLU 72 Cb -0.04 0.46 0.13 0.00 0.26 0.00 0.00 34.13 34.94 3fkh s GLU 72 CO 0.01 -0.29 0.20 0.08 -0.54 0.00 0.00 175.26 174.71 3fkh s VAL 73 N -1.08 0.97 -0.08 3.70 1.01 -1.26 -1.45 120.40 122.21 3fkh s VAL 73 Ca -0.10 -2.05 0.01 0.00 0.00 0.00 0.00 61.98 59.84 3fkh s VAL 73 Cb -0.01 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.69 3fkh s VAL 73 CO 0.08 -0.86 -0.10 -0.75 0.00 0.00 0.00 175.10 173.47 3fkh s LYS 74 N 0.85 1.58 -1.04 2.72 2.20 -0.61 -4.96 119.74 120.48 3fkh s LYS 74 Ca 0.16 -0.34 -0.14 0.00 -0.36 0.00 0.00 55.97 55.29 3fkh s LYS 74 Cb -0.22 -1.43 -0.02 0.00 -1.51 0.00 0.00 37.83 34.65 3fkh s LYS 74 CO -0.06 -0.08 0.79 -0.25 -0.36 0.00 0.00 175.35 175.39 3fkh n ASP 75 N 4.22 -5.88 0.00 1.43 8.00 -1.26 -2.27 116.55 120.80 3fkh n ASP 75 Ca -0.19 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3fkh n ASP 75 Cb 0.51 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 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 -1.61 0.23 3.37 0.44 0.00 -1.26 -4.96 105.19 101.40 3fkh n GLY 76 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.96 1.47 0.02 1.61 2.47 -0.96 -1.21 119.74 122.18 3fkh s LYS 77 Ca 0.00 -1.26 0.00 0.00 -1.56 0.00 0.00 55.97 53.15 3fkh s LYS 77 Cb 0.00 -1.86 -0.01 0.00 -1.46 0.00 0.00 37.83 34.49 3fkh s LYS 77 CO 0.00 0.45 -0.03 0.00 0.16 0.00 0.00 175.35 175.93 3fkh s ALA 78 N -1.00 0.19 0.05 3.13 0.00 0.24 -1.57 121.76 122.80 3fkh s ALA 78 Ca 0.13 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 3fkh s ALA 78 Cb -0.10 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3fkh s ALA 78 CO 0.05 -0.07 0.09 1.67 0.00 0.00 0.00 175.76 177.50 3fkh s TRP 79 N -0.95 0.24 -0.02 0.00 1.48 -0.53 0.13 118.94 119.29 3fkh s TRP 79 Ca -0.09 -0.59 0.00 0.00 -1.06 0.00 0.00 56.10 54.36 3fkh s TRP 79 Cb -0.07 -0.16 0.01 0.00 -1.16 0.00 0.00 33.47 32.09 3fkh s TRP 79 CO -0.00 -0.39 -0.01 -1.54 -4.06 0.00 0.00 176.95 170.95 3fkh s SER 80 N -2.33 0.30 -0.22 -2.66 1.04 -0.54 -1.93 113.70 107.36 3fkh s SER 80 Ca -0.02 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.40 3fkh s SER 80 Cb 0.01 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.06 3fkh s SER 80 CO -0.06 -0.05 -0.11 -0.69 0.98 0.00 0.00 173.24 173.31 3fkh s VAL 81 N 0.55 1.84 -0.21 5.02 1.01 -0.31 -1.52 120.40 126.79 3fkh s VAL 81 Ca -0.05 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.66 3fkh s VAL 81 Cb -0.08 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3fkh s VAL 81 CO -0.01 0.13 0.02 -0.69 0.00 0.00 0.00 175.10 174.55 3fkh s VAL 82 N 1.29 4.07 -0.08 2.92 1.01 -0.28 -1.84 120.40 127.49 3fkh s VAL 82 Ca -0.03 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3fkh s VAL 82 Cb -0.17 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 3fkh s VAL 82 CO -0.08 0.41 -0.22 -0.69 0.00 0.00 0.00 175.10 174.52 3fkh s VAL 83 N 1.10 2.28 -0.20 2.92 1.01 0.10 -1.16 120.40 126.45 3fkh s VAL 83 Ca 0.03 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3fkh s VAL 83 Cb -0.14 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3fkh s VAL 83 CO 0.02 0.56 0.13 -0.13 0.00 0.00 0.00 175.10 175.68 3fkh s ARG 84 N -0.03 4.19 0.18 2.72 0.52 -0.03 -0.79 118.95 125.71 3fkh s ARG 84 Ca -0.07 -0.22 -0.13 0.00 -0.52 0.00 0.00 55.73 54.79 3fkh s ARG 84 Cb -0.15 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 31.91 3fkh s ARG 84 CO 0.05 0.30 0.41 0.00 0.02 0.00 0.00 175.30 176.08 3fkh s ALA 85 N 0.35 -0.46 -0.17 2.13 0.00 -0.39 -0.21 121.76 123.01 3fkh s ALA 85 Ca 0.08 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 3fkh s ALA 85 Cb -0.11 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3fkh s ALA 85 CO -0.02 -0.73 -0.00 0.99 0.00 0.00 0.00 175.76 176.00 3fkh s THR 86 N -3.93 4.16 0.08 0.00 2.01 -0.57 -0.11 115.64 117.29 3fkh s THR 86 Ca 0.14 -0.26 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 3fkh s THR 86 Cb 0.01 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3fkh s THR 86 CO -0.01 0.47 0.35 0.00 -0.69 0.00 0.00 174.62 174.74 3fkh s ALA 87 N 0.50 3.79 -0.18 7.40 0.00 0.11 -0.67 121.76 132.71 3fkh s ALA 87 Ca -0.01 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 3fkh s ALA 87 Cb -0.14 -2.15 0.06 0.00 0.00 0.00 0.00 23.12 20.89 3fkh s ALA 87 CO 0.02 0.64 0.44 -1.83 0.00 0.00 0.00 175.76 175.03 3fkh s GLU 88 N -2.15 0.44 0.01 0.00 -1.05 -0.76 -4.83 118.70 110.36 3fkh s GLU 88 Ca 0.34 0.81 -0.30 0.00 -0.15 0.00 0.00 54.97 55.67 3fkh s GLU 88 Cb -0.13 0.03 -0.04 0.00 -0.44 0.00 0.00 34.13 33.55 3fkh s GLU 88 CO 0.20 -0.15 1.10 0.42 0.95 0.00 0.00 175.26 177.78 3fkh s ILE 89 N 1.28 4.45 -0.60 1.83 -1.09 -1.26 -1.24 121.20 124.57 3fkh s ILE 89 Ca -0.08 1.76 -0.27 0.00 -2.23 0.00 0.00 60.65 59.82 3fkh s ILE 89 Cb -0.07 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 3fkh s ILE 89 CO -0.12 0.11 1.57 -0.69 -1.23 0.00 0.00 174.94 174.58 3fkh s VAL 90 N 1.28 3.60 -0.22 2.92 1.01 -0.18 -4.83 120.40 123.98 3fkh s VAL 90 Ca 0.55 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 3fkh s VAL 90 Cb -0.25 -4.31 -0.20 0.00 0.00 0.00 0.00 36.38 31.63 3fkh s VAL 90 CO 0.27 -1.16 -0.04 0.54 0.00 0.00 0.00 175.10 174.71 3fkh n ARG 91 N 8.97 0.68 -1.86 2.72 1.74 -1.26 -4.65 116.66 122.99 3fkh n ARG 91 Ca 0.14 0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 57.00 3fkh n ARG 91 Cb 0.50 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.53 4.18 0.35 5.56 3.01 -1.26 -4.90 119.74 124.15 3fkh s LYS 92 Ca -0.31 2.43 0.07 0.00 -1.01 0.00 0.00 55.97 57.15 3fkh s LYS 92 Cb 0.08 -3.38 0.75 0.00 -1.01 0.00 0.00 37.83 34.28 3fkh s LYS 92 CO 0.65 -0.72 1.91 -0.07 0.51 0.00 0.00 175.35 177.63 3fkh h LEU 93 N 7.73 0.69 -0.44 3.17 4.07 -1.99 -1.23 115.31 127.31 3fkh h LEU 93 Ca -0.43 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.52 3fkh h LEU 93 Cb 1.21 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 3fkh h LEU 93 CO 0.93 0.40 0.17 -2.24 -1.08 0.00 0.00 178.44 176.62 3fkh h ASP 94 N 0.76 0.62 -0.21 -0.43 -0.00 -1.99 -1.99 116.42 113.17 3fkh h ASP 94 Ca 0.39 -0.18 -0.13 0.00 -0.00 0.00 0.00 57.03 57.12 3fkh h ASP 94 Cb 0.48 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.64 3fkh h ASP 94 CO -0.16 0.63 -0.31 -0.33 -0.00 0.00 0.00 179.24 179.07 3fkh h GLU 95 N 0.57 0.71 0.28 4.15 5.08 -1.71 -2.25 114.58 121.41 3fkh h GLU 95 Ca 0.15 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3fkh h GLU 95 Cb 0.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fkh h GLU 95 CO -0.01 0.93 -0.14 0.82 -1.00 0.00 0.00 179.01 179.61 3fkh h ILE 96 N 0.60 0.74 -0.97 3.13 2.04 -1.25 -1.70 117.51 120.11 3fkh h ILE 96 Ca 0.07 -0.11 0.20 0.00 1.00 0.00 0.00 64.86 66.02 3fkh h ILE 96 Cb 0.82 0.80 -0.09 0.00 -0.74 0.00 0.00 36.82 37.62 3fkh h ILE 96 CO 0.07 0.02 0.61 0.00 0.00 0.00 0.00 178.15 178.86 3fkh h ALA 97 N 0.27 1.96 -0.23 1.87 0.00 -1.28 -0.41 119.26 121.44 3fkh h ALA 97 Ca -0.04 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3fkh h ALA 97 Cb 0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fkh h ALA 97 CO 0.06 -0.29 -0.22 -0.92 0.00 0.00 0.00 179.25 177.88 3fkh h TYR 98 N 0.58 0.67 0.00 0.00 3.20 -1.21 -3.21 116.97 117.00 3fkh h TYR 98 Ca 0.53 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 3fkh h TYR 98 Cb 1.07 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 3fkh h TYR 98 CO -0.00 0.89 -0.10 0.00 -1.64 0.00 0.00 178.16 177.31 3fkh h ALA 99 N 0.67 1.40 0.00 1.82 0.00 -0.16 -2.31 119.26 120.68 3fkh h ALA 99 Ca 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3fkh h ALA 99 Cb 0.77 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fkh h ALA 99 CO 0.06 0.12 -0.13 -0.44 0.00 0.00 0.00 179.25 178.86 3fkh h ASP 100 N 0.00 0.00 1.57 0.00 3.32 -1.27 -2.84 116.42 117.20 3fkh h ASP 100 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fkh h ASP 100 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3fkh h ASP 100 CO 0.01 0.13 0.00 0.71 -1.72 0.00 0.00 179.24 178.37 3fkh h THR 101 N 0.00 0.00 -3.57 0.35 1.35 -1.53 -3.46 112.91 106.05 3fkh h THR 101 Ca -0.00 -0.60 -0.52 0.00 -0.55 0.00 0.00 66.41 64.74 3fkh h THR 101 Cb 0.27 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3fkh h THR 101 CO 0.02 0.00 0.39 -0.76 -0.25 0.00 0.00 175.52 174.92 3fkh s LEU 102 N -4.99 4.50 -1.17 3.87 1.43 -1.07 -4.94 118.68 116.30 3fkh s LEU 102 Ca 0.09 1.87 -0.20 0.00 -1.03 0.00 0.00 54.13 54.86 3fkh s LEU 102 Cb 0.10 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 3fkh s LEU 102 CO 0.61 -0.09 1.91 -1.84 0.23 0.00 0.00 176.35 177.16 3fkh n GLU 103 N 2.63 2.18 -3.84 1.70 -0.00 -1.26 -4.90 120.64 117.15 3fkh n GLU 103 Ca 0.02 -2.60 -0.36 0.00 -0.00 0.00 0.00 57.16 54.23 3fkh n GLU 103 Cb 0.48 -3.46 -0.13 0.00 -0.00 0.00 0.00 31.44 28.33 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 6.22 3.61 -0.44 -1.84 2.96 -1.26 -4.89 118.68 123.04 3fkh s LEU 104 Ca 0.60 -0.78 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3fkh s LEU 104 Cb 0.05 -1.80 0.12 0.00 0.50 0.00 0.00 46.19 45.06 3fkh s LEU 104 CO 0.09 -0.17 0.17 -1.59 -1.32 0.00 0.00 176.35 173.54 3fkh s LYS 105 N 1.43 1.73 0.74 1.98 -2.85 -1.26 -5.03 119.74 116.49 3fkh s LYS 105 Ca 0.01 -2.29 -0.11 0.00 -1.00 0.00 0.00 55.97 52.59 3fkh s LYS 105 Cb -0.17 -3.21 0.04 0.00 -2.06 0.00 0.00 37.83 32.42 3fkh s LYS 105 CO -0.00 -1.04 1.08 -2.14 0.10 0.00 0.00 175.35 173.34 3fkh s PRO 106 N 0.23 2.55 0.09 1.78 0.02 -1.26 -4.87 135.00 133.53 3fkh s PRO 106 Ca 0.15 0.88 -0.35 0.00 0.02 0.00 0.00 61.00 61.70 3fkh s PRO 106 Cb -0.23 -1.95 -0.17 0.00 0.02 0.00 0.00 34.50 32.17 3fkh s PRO 106 CO -0.04 -1.36 1.57 -1.49 -0.33 0.00 0.00 177.00 175.36 3fkh h TRP 107 N -0.91 -1.33 -3.42 6.54 6.55 -1.98 -3.34 115.95 118.05 3fkh h TRP 107 Ca -0.45 0.01 -0.71 0.00 0.95 0.00 0.00 58.89 58.69 3fkh h TRP 107 Cb 1.23 0.51 -0.32 0.00 -0.86 0.00 0.00 29.16 29.72 3fkh h TRP 107 CO 0.56 -0.66 -0.45 0.42 -1.05 0.00 0.00 178.44 177.27 3fkh s ILE 108 N -5.90 3.75 -0.04 1.49 1.01 -1.26 -5.08 121.20 115.17 3fkh s ILE 108 Ca -0.18 -2.06 -0.30 0.00 0.00 0.00 0.00 60.65 58.11 3fkh s ILE 108 Cb 0.04 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 3fkh s ILE 108 CO 0.61 -0.75 1.18 -2.16 0.00 0.00 0.00 174.94 173.82 3fkh s PRO 109 N 1.07 4.37 0.41 2.79 0.04 -1.26 -4.91 135.00 137.53 3fkh s PRO 109 Ca 0.08 1.66 0.08 0.00 0.04 0.00 0.00 61.00 62.86 3fkh s PRO 109 Cb -0.24 -3.52 -0.00 0.00 0.04 0.00 0.00 34.50 30.78 3fkh s PRO 109 CO -0.03 -0.40 0.50 0.95 0.04 0.00 0.00 177.00 178.07 3fkh s THR 110 N 2.00 2.96 0.01 1.26 -4.23 -1.26 -5.07 115.64 111.30 3fkh s THR 110 Ca 0.56 -1.11 -0.25 0.00 -1.18 0.00 0.00 61.69 59.71 3fkh s THR 110 Cb -0.25 -3.02 -0.16 0.00 1.34 0.00 0.00 72.50 70.41 3fkh s THR 110 CO 0.23 -0.01 1.19 0.17 -0.54 0.00 0.00 174.62 175.66 3fkh h LEU 111 N 0.78 -0.42 -9.45 4.79 -0.00 -1.99 -3.42 115.31 105.59 3fkh h LEU 111 Ca -0.41 -0.14 -0.58 0.00 -0.00 0.00 0.00 57.88 56.75 3fkh h LEU 111 Cb 1.27 0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 41.97 3fkh h LEU 111 CO 0.49 -0.05 -0.15 -0.75 -0.00 0.00 0.00 178.44 177.99 3fkh s LYS 112 N -4.60 4.22 0.12 0.17 2.36 -1.26 -5.08 119.74 115.67 3fkh s LYS 112 Ca -0.14 0.47 -0.14 0.00 -2.55 0.00 0.00 55.97 53.61 3fkh s LYS 112 Cb 0.02 -3.36 0.02 0.00 -1.05 0.00 0.00 37.83 33.46 3fkh s LYS 112 CO 0.51 0.34 0.34 1.52 1.55 0.00 0.00 175.35 179.62 3fkh s TYR 113 N 0.01 -0.08 0.00 4.03 1.13 -1.26 -4.66 117.35 116.51 3fkh s TYR 113 Ca 0.26 -0.27 0.02 0.00 -1.41 0.00 0.00 57.07 55.66 3fkh s TYR 113 Cb -0.16 0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 40.86 3fkh s TYR 113 CO 0.12 -0.66 -0.06 -0.80 -2.51 0.00 0.00 175.55 171.64 3fkh s ASN 114 N -2.83 0.69 0.07 -0.18 -0.87 -0.47 -5.00 114.94 106.36 3fkh s ASN 114 Ca 0.04 -0.15 -0.18 0.00 -1.57 0.00 0.00 52.86 51.00 3fkh s ASN 114 Cb 0.03 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.25 41.13 3fkh s ASN 114 CO -0.11 0.04 0.54 -0.31 -2.57 0.00 0.00 177.10 174.69 3fkh s TYR 115 N -0.26 3.76 -0.14 2.20 2.02 -1.26 -0.81 117.35 122.86 3fkh s TYR 115 Ca 0.01 1.19 0.02 0.00 -0.37 0.00 0.00 57.07 57.92 3fkh s TYR 115 Cb -0.03 -2.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.09 3fkh s TYR 115 CO -0.00 0.57 -0.19 0.08 -1.57 0.00 0.00 175.55 174.44 3fkh s VAL 116 N -1.17 2.34 -0.29 0.71 1.01 0.21 -1.01 120.40 122.20 3fkh s VAL 116 Ca 0.30 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3fkh s VAL 116 Cb -0.18 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3fkh s VAL 116 CO 0.18 0.54 0.18 -0.60 0.00 0.00 0.00 175.10 175.40 3fkh s ARG 117 N 0.69 3.80 -0.36 2.72 3.52 -0.37 -1.66 118.95 127.28 3fkh s ARG 117 Ca -0.09 -0.42 -0.12 0.00 -0.13 0.00 0.00 55.73 54.97 3fkh s ARG 117 Cb -0.16 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.60 3fkh s ARG 117 CO 0.01 -0.24 0.22 0.42 -0.81 0.00 0.00 175.30 174.90 3fkh s ILE 118 N 1.73 4.90 -0.41 4.11 1.01 0.15 -1.82 121.20 130.87 3fkh s ILE 118 Ca 0.07 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 3fkh s ILE 118 Cb -0.16 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.71 3fkh s ILE 118 CO 0.10 -0.13 0.28 -0.69 0.00 0.00 0.00 174.94 174.50 3fkh s VAL 119 N 1.63 5.01 0.34 2.92 1.01 0.16 -0.90 120.40 130.57 3fkh s VAL 119 Ca 0.04 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 3fkh s VAL 119 Cb -0.18 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 3fkh s VAL 119 CO 0.08 -0.33 1.43 -2.84 0.00 0.00 0.00 175.10 173.44 3fkh s PRO 120 N 1.63 4.21 -0.20 2.72 0.02 -1.26 -1.51 135.00 140.61 3fkh s PRO 120 Ca 0.04 2.42 -0.03 0.00 0.02 0.00 0.00 61.00 63.44 3fkh s PRO 120 Cb -0.20 -3.03 -0.11 0.00 0.02 0.00 0.00 34.50 31.18 3fkh s PRO 120 CO 0.08 -0.41 -0.21 0.09 -0.33 0.00 0.00 177.00 176.22 3fkh n ASN 121 N 0.99 2.07 -3.94 2.53 3.02 0.71 -4.92 115.26 115.73 3fkh n ASN 121 Ca 0.02 0.04 -0.18 0.00 -0.03 0.00 0.00 54.58 54.44 3fkh n ASN 121 Cb 0.40 -0.43 -0.15 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.38 0.60 -0.11 3.52 2.12 -1.03 -5.02 118.70 116.40 3fkh s GLU 122 Ca -0.27 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 54.89 3fkh s GLU 122 Cb 0.09 -0.60 0.02 0.00 0.26 0.00 0.00 34.13 33.89 3fkh s GLU 122 CO 0.41 0.05 -0.09 0.42 -0.54 0.00 0.00 175.26 175.51 3fkh s ILE 123 N 0.28 1.12 -0.25 -3.70 1.01 -1.26 -0.85 121.20 117.55 3fkh s ILE 123 Ca -0.03 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3fkh s ILE 123 Cb -0.07 -1.10 0.04 0.00 0.01 0.00 0.00 42.46 41.34 3fkh s ILE 123 CO -0.00 0.38 -0.10 -0.89 0.00 0.00 0.00 174.94 174.32 3fkh s THR 124 N 1.52 2.39 -0.11 2.92 2.01 -0.31 -4.85 115.64 119.21 3fkh s THR 124 Ca 0.02 -1.35 0.02 0.00 0.31 0.00 0.00 61.69 60.69 3fkh s THR 124 Cb -0.13 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 3fkh s THR 124 CO -0.07 0.12 -0.18 -0.83 -0.69 0.00 0.00 174.62 172.97 3fkh s GLY 125 N 1.20 1.44 0.00 4.40 0.00 -1.26 -1.13 107.32 111.98 3fkh s GLY 125 Ca -0.04 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.79 3fkh s GLY 125 CO -0.06 -0.27 -0.11 0.50 0.00 0.00 0.00 173.10 173.15 3fkh s ARG 126 N 0.31 0.88 -0.06 2.90 1.81 -0.57 -0.97 118.95 123.25 3fkh s ARG 126 Ca -0.14 -0.48 0.04 0.00 -1.72 0.00 0.00 55.73 53.43 3fkh s ARG 126 Cb -0.17 -0.85 -0.00 0.00 -0.45 0.00 0.00 34.95 33.48 3fkh s ARG 126 CO 0.07 0.23 -0.19 -2.00 -0.68 0.00 0.00 175.30 172.73 3fkh s GLU 127 N -0.50 2.08 -0.11 3.54 2.12 -0.21 -1.47 118.70 124.16 3fkh s GLU 127 Ca 0.03 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.73 3fkh s GLU 127 Cb -0.05 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.60 3fkh s GLU 127 CO -0.00 0.22 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.66 3fkh s PHE 128 N 0.14 2.48 -0.43 5.30 0.40 0.34 0.18 117.98 126.40 3fkh s PHE 128 Ca -0.08 -1.07 -0.18 0.00 -0.60 0.00 0.00 56.93 55.01 3fkh s PHE 128 Cb -0.13 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.74 3fkh s PHE 128 CO 0.04 -0.45 0.46 0.99 0.70 0.00 0.00 175.22 176.96 3fkh s THR 129 N 0.47 5.05 0.64 0.64 2.01 -0.68 -0.59 115.64 123.19 3fkh s THR 129 Ca -0.16 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 3fkh s THR 129 Cb -0.17 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 3fkh s THR 129 CO 0.06 -0.46 1.01 -0.76 -0.69 0.00 0.00 174.62 173.79 3fkh s LEU 130 N 2.22 3.13 0.00 4.42 1.43 -0.35 -4.82 118.68 124.70 3fkh s LEU 130 Ca 0.13 1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 54.22 3fkh s LEU 130 Cb -0.17 -4.02 0.20 0.00 0.03 0.00 0.00 46.19 42.23 3fkh s LEU 130 CO 0.14 -1.08 0.78 0.61 0.23 0.00 0.00 176.35 177.04 3fkh n GLY 131 N -2.79 -2.42 3.77 -3.19 0.00 -1.26 -4.94 105.19 94.36 3fkh n GLY 131 Ca 0.06 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3fkh n GLY 131 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3fkh n GLU 132 N -3.63 2.67 0.00 1.61 -0.00 -1.26 -5.01 120.64 115.02 3fkh n GLU 132 Ca 0.11 0.94 0.00 0.00 -0.00 0.00 0.00 57.16 58.20 3fkh n GLU 132 Cb 0.40 -2.68 0.00 0.00 -0.00 0.00 0.00 31.44 29.17 3fkh n GLU 132 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52