#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkh n ASN 2 N 0.00 0.87 0.07 6.12 4.05 -1.26 -2.20 115.26 122.91 2fkh n ASN 2 Ca 0.00 0.39 -0.02 0.00 0.45 0.00 0.00 54.58 55.40 2fkh n ASN 2 Cb 0.00 0.13 0.25 0.00 1.23 0.00 0.00 39.78 41.39 2fkh n ASN 2 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2fkh h LEU 3 N 0.00 0.33 0.12 1.20 3.38 -2.05 -0.99 115.31 117.30 2fkh h LEU 3 Ca -0.17 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.49 2fkh h LEU 3 Cb 1.62 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 42.30 2fkh h LEU 3 CO 0.05 0.61 -0.85 0.58 0.09 0.00 0.00 178.44 178.92 2fkh h VAL 4 N 0.29 1.46 -0.81 1.22 2.07 -1.99 -1.70 116.25 116.78 2fkh h VAL 4 Ca 0.04 -2.44 0.10 0.00 0.82 0.00 0.00 66.70 65.22 2fkh h VAL 4 Cb 0.66 3.02 -0.06 0.00 -1.52 0.00 0.00 31.29 33.40 2fkh h VAL 4 CO 0.05 0.70 0.53 -0.33 0.02 0.00 0.00 177.57 178.54 2fkh h GLU 5 N -0.22 0.73 0.32 1.57 5.08 -1.27 -1.34 114.58 119.45 2fkh h GLU 5 Ca -0.14 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2fkh h GLU 5 Cb 1.63 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2fkh h GLU 5 CO 0.16 0.48 -0.16 1.25 -1.00 0.00 0.00 179.01 179.75 2fkh h LEU 6 N 0.75 -0.37 -0.78 1.33 5.85 -1.19 -1.97 115.31 118.93 2fkh h LEU 6 Ca 0.37 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 59.01 2fkh h LEU 6 Cb 0.45 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 2fkh h LEU 6 CO -0.15 0.01 -0.54 1.23 -0.34 0.00 0.00 178.44 178.65 2fkh h GLY 7 N -0.80 -0.74 0.17 3.75 0.00 -0.38 0.16 103.07 105.23 2fkh h GLY 7 Ca -0.04 0.72 -0.00 0.00 0.00 0.00 0.00 47.33 48.00 2fkh h GLY 7 CO 0.07 -0.05 -0.22 0.23 0.00 0.00 0.00 176.54 176.58 2fkh h SER 8 N -0.14 -0.61 -0.96 0.19 0.87 -1.30 -1.48 113.55 110.12 2fkh h SER 8 Ca 0.16 0.05 0.28 0.00 -1.23 0.00 0.00 61.79 61.05 2fkh h SER 8 Cb 0.50 0.21 -0.17 0.00 -0.44 0.00 0.00 62.40 62.50 2fkh h SER 8 CO -0.82 -0.27 0.11 0.50 -0.53 0.00 0.00 176.83 175.83 2fkh h LYS 9 N -0.39 0.04 -0.65 2.24 3.64 -0.76 0.25 116.57 120.95 2fkh h LYS 9 Ca -0.02 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2fkh h LYS 9 Cb 0.35 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 2fkh h LYS 9 CO -0.05 0.03 0.41 1.15 -2.27 0.00 0.00 179.45 178.71 2fkh h THR 10 N 0.04 1.10 -0.03 1.00 2.02 -0.16 -1.84 112.91 115.05 2fkh h THR 10 Ca 0.61 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 2fkh h THR 10 Cb 1.29 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2fkh h THR 10 CO -0.85 0.15 -0.07 0.00 0.37 0.00 0.00 175.52 175.12 2fkh h ALA 11 N 1.27 0.04 -0.61 6.16 0.00 0.40 -3.22 119.26 123.31 2fkh h ALA 11 Ca 0.25 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 54.97 2fkh h ALA 11 Cb -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.67 2fkh h ALA 11 CO -0.09 -0.11 -0.05 0.87 0.00 0.00 0.00 179.25 179.88 2fkh h LYS 12 N -0.47 0.07 -0.30 0.00 1.57 -0.67 -1.18 116.57 115.60 2fkh h LYS 12 Ca -0.00 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2fkh h LYS 12 Cb 0.67 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2fkh h LYS 12 CO 0.01 0.05 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.42 2fkh h ASP 13 N 0.07 0.47 -0.71 0.86 3.32 -1.44 0.22 116.42 119.22 2fkh h ASP 13 Ca 0.31 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.29 2fkh h ASP 13 Cb 0.50 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 2fkh h ASP 13 CO -0.56 0.60 0.44 1.23 -1.72 0.00 0.00 179.24 179.23 2fkh h GLY 14 N 0.88 1.03 1.22 2.75 0.00 -1.23 0.15 103.07 107.86 2fkh h GLY 14 Ca 0.09 -0.32 -0.27 0.00 0.00 0.00 0.00 47.33 46.83 2fkh h GLY 14 CO 0.02 0.26 -1.04 0.74 0.00 0.00 0.00 176.54 176.52 2fkh h PHE 15 N 0.84 1.05 0.00 5.60 -1.00 -1.03 -3.01 116.94 119.39 2fkh h PHE 15 Ca 0.29 -0.57 -0.01 0.00 2.81 0.00 0.00 57.97 60.49 2fkh h PHE 15 Cb 0.06 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.50 2fkh h PHE 15 CO -0.05 1.41 -0.04 0.87 -1.61 0.00 0.00 178.31 178.89 2fkh h LYS 16 N 0.40 0.00 -0.81 1.51 1.57 -0.20 -1.75 116.57 117.29 2fkh h LYS 16 Ca -0.13 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2fkh h LYS 16 Cb 1.70 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.97 2fkh h LYS 16 CO 0.20 0.04 0.40 -0.97 -0.57 0.00 0.00 179.45 178.55 2fkh h ASN 17 N 0.00 1.05 -0.29 0.86 -0.00 -0.57 -1.79 115.58 114.84 2fkh h ASN 17 Ca -0.00 -0.13 0.02 0.00 -0.00 0.00 0.00 56.30 56.19 2fkh h ASN 17 Cb 0.08 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.11 2fkh h ASN 17 CO 0.01 0.89 0.14 -0.33 -0.00 0.00 0.00 177.43 178.13 2fkh h GLU 18 N 1.14 0.29 -0.33 6.67 5.08 -1.32 -2.10 114.58 124.00 2fkh h GLU 18 Ca 0.28 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2fkh h GLU 18 Cb 0.11 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2fkh h GLU 18 CO -0.04 0.19 0.15 0.87 -1.00 0.00 0.00 179.01 179.19 2fkh h LYS 19 N 0.29 0.31 -0.93 2.33 1.57 -1.44 0.22 116.57 118.94 2fkh h LYS 19 Ca 0.12 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.02 2fkh h LYS 19 Cb 0.04 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.19 2fkh h LYS 19 CO -0.08 0.21 0.55 0.22 -0.57 0.00 0.00 179.45 179.77 2fkh h ASP 20 N 0.32 0.75 0.01 0.86 3.58 -0.82 -0.99 116.42 120.13 2fkh h ASP 20 Ca 0.14 0.07 -0.19 0.00 0.42 0.00 0.00 57.03 57.47 2fkh h ASP 20 Cb 0.07 -0.07 0.02 0.00 1.72 0.00 0.00 39.33 41.06 2fkh h ASP 20 CO -0.11 0.36 -0.77 0.40 -2.88 0.00 0.00 179.24 176.24 2fkh h ILE 21 N 0.81 1.38 -0.70 2.25 2.04 -1.01 -2.20 117.51 120.08 2fkh h ILE 21 Ca 0.49 -2.16 0.15 0.00 1.00 0.00 0.00 64.86 64.34 2fkh h ILE 21 Cb 0.60 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.19 2fkh h ILE 21 CO -0.31 0.64 0.47 0.00 0.00 0.00 0.00 178.15 178.95 2fkh h ALA 22 N 0.33 2.19 0.11 1.87 0.00 -0.41 -0.85 119.26 122.51 2fkh h ALA 22 Ca -0.10 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 2fkh h ALA 22 Cb 1.46 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.23 2fkh h ALA 22 CO 0.15 -0.38 -0.96 -0.44 0.00 0.00 0.00 179.25 177.63 2fkh h ASP 23 N 0.33 0.65 -0.25 0.00 3.32 -1.13 -2.75 116.42 116.59 2fkh h ASP 23 Ca 0.34 -0.86 0.07 0.00 0.02 0.00 0.00 57.03 56.60 2fkh h ASP 23 Cb 0.86 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2fkh h ASP 23 CO -0.09 1.45 0.21 0.03 -1.72 0.00 0.00 179.24 179.12 2fkh h ARG 24 N -0.05 0.00 0.15 3.56 3.08 -0.56 1.70 114.38 122.27 2fkh h ARG 24 Ca -0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2fkh h ARG 24 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 2fkh h ARG 24 CO 0.18 0.00 -0.07 0.74 -1.07 0.00 0.00 179.97 179.75 2fkh h PHE 25 N 0.00 -0.19 -0.72 3.04 -1.00 -1.21 -3.19 116.94 113.67 2fkh h PHE 25 Ca 0.12 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.87 2fkh h PHE 25 Cb 0.53 0.06 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 2fkh h PHE 25 CO 0.00 0.21 0.36 0.93 -1.61 0.00 0.00 178.31 178.21 2fkh h GLU 26 N -0.93 1.01 -2.24 1.51 5.08 -1.02 -2.90 114.58 115.08 2fkh h GLU 26 Ca -0.02 -0.13 -0.77 0.00 -1.00 0.00 0.00 59.36 57.44 2fkh h GLU 26 Cb 0.49 -0.19 -0.24 0.00 0.50 0.00 0.00 28.75 29.30 2fkh h GLU 26 CO 0.03 0.77 1.22 0.09 -1.00 0.00 0.00 179.01 180.12 2fkh n ASN 27 N -4.34 7.46 0.01 1.42 5.03 0.57 -4.84 115.26 120.57 2fkh n ASN 27 Ca 0.07 -3.61 0.11 0.00 0.87 0.00 0.00 54.58 52.02 2fkh n ASN 27 Cb 0.12 -1.18 -0.12 0.00 -1.02 0.00 0.00 39.78 37.58 2fkh n ASN 27 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.26 172.76 2fkh n TRP 28 N 0.17 0.15 1.73 3.10 4.27 -1.10 -3.61 117.44 122.15 2fkh n TRP 28 Ca 0.51 0.04 0.15 0.00 -3.89 0.00 0.00 57.50 54.32 2fkh n TRP 28 Cb 0.27 -0.47 0.86 0.00 -1.36 0.00 0.00 31.31 30.60 2fkh n TRP 28 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2fkh n LYS 29 N -2.16 0.73 -0.03 -2.67 5.02 -1.26 -2.67 118.16 115.11 2fkh n LYS 29 Ca -0.02 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2fkh n LYS 29 Cb 0.52 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.94 2fkh n LYS 29 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2fkh n GLU 30 N -1.13 1.39 -3.26 1.97 0.28 -1.26 -4.96 120.64 113.67 2fkh n GLU 30 Ca 0.19 -0.05 -0.39 0.00 -0.16 0.00 0.00 57.16 56.76 2fkh n GLU 30 Cb 0.17 -1.29 -0.06 0.00 1.43 0.00 0.00 31.44 31.69 2fkh n GLU 30 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2fkh s ASN 31 N -3.94 6.67 -0.04 -1.84 3.84 -1.09 -4.99 114.94 113.54 2fkh s ASN 31 Ca -0.05 0.80 -0.18 0.00 0.21 0.00 0.00 52.86 53.64 2fkh s ASN 31 Cb 0.05 -2.30 -0.31 0.00 -0.55 0.00 0.00 41.25 38.14 2fkh s ASN 31 CO 0.48 -0.09 0.81 0.77 -2.79 0.00 0.00 177.10 176.28 2fkh h SER 32 N 7.02 0.55 0.32 -4.21 4.64 -1.93 -2.97 113.55 116.97 2fkh h SER 32 Ca -0.38 -0.92 -0.01 0.00 -0.47 0.00 0.00 61.79 60.01 2fkh h SER 32 Cb 1.17 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2fkh h SER 32 CO 0.75 1.57 -0.31 -0.33 -0.87 0.00 0.00 176.83 177.64 2fkh h GLU 33 N -0.19 -0.60 -0.96 4.77 4.39 -1.94 -0.94 114.58 119.11 2fkh h GLU 33 Ca -0.23 0.04 0.28 0.00 0.34 0.00 0.00 59.36 59.79 2fkh h GLU 33 Cb 1.84 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 30.59 2fkh h GLU 33 CO 0.16 -0.40 0.83 0.00 -1.16 0.00 0.00 179.01 178.44 2fkh h ALA 34 N -1.25 2.83 -0.21 3.43 0.00 -1.83 0.75 119.26 122.97 2fkh h ALA 34 Ca -0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2fkh h ALA 34 Cb 0.53 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2fkh h ALA 34 CO -0.03 -1.32 -0.34 0.37 0.00 0.00 0.00 179.25 177.93 2fkh h GLN 35 N 0.00 0.61 -0.73 0.00 4.15 -1.08 -3.11 115.11 114.95 2fkh h GLN 35 Ca 0.46 -0.37 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2fkh h GLN 35 Cb 2.11 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.80 2fkh h GLN 35 CO -0.00 0.98 0.33 -0.44 -1.93 0.00 0.00 178.83 177.76 2fkh h ASP 36 N 0.29 0.98 -0.83 -0.69 3.32 0.18 -2.78 116.42 116.89 2fkh h ASP 36 Ca 0.02 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2fkh h ASP 36 Cb 0.92 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 2fkh h ASP 36 CO 0.08 0.86 0.53 -0.50 -1.72 0.00 0.00 179.24 178.49 2fkh h TRP 37 N 1.03 1.07 -0.41 4.55 6.55 -1.47 0.27 115.95 127.55 2fkh h TRP 37 Ca 0.25 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 60.06 2fkh h TRP 37 Cb 0.16 -0.36 -0.02 0.00 -0.86 0.00 0.00 29.16 28.08 2fkh h TRP 37 CO 0.01 0.70 0.10 -0.07 -1.05 0.00 0.00 178.44 178.13 2fkh h LEU 38 N 1.14 0.62 0.06 -4.49 3.38 -1.43 -0.50 115.31 114.09 2fkh h LEU 38 Ca 0.30 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2fkh h LEU 38 Cb -0.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2fkh h LEU 38 CO -0.06 0.69 -0.03 0.58 0.09 0.00 0.00 178.44 179.71 2fkh h VAL 39 N 0.52 1.09 -0.58 1.22 2.07 -1.16 -0.85 116.25 118.56 2fkh h VAL 39 Ca 0.13 -0.51 0.17 0.00 0.82 0.00 0.00 66.70 67.31 2fkh h VAL 39 Cb 0.31 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2fkh h VAL 39 CO 0.00 0.13 0.43 0.74 0.02 0.00 0.00 177.57 178.88 2fkh h THR 40 N -0.31 0.68 -0.63 2.57 2.02 -0.32 0.26 112.91 117.18 2fkh h THR 40 Ca -0.01 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.85 2fkh h THR 40 Cb 0.27 0.70 -0.19 0.00 -1.74 0.00 0.00 68.15 67.19 2fkh h THR 40 CO 0.01 0.00 0.41 0.23 0.37 0.00 0.00 175.52 176.55 2fkh n MET 41 N -4.31 1.83 -1.16 6.66 2.81 -0.21 -4.87 117.12 117.87 2fkh n MET 41 Ca 0.11 -1.92 -0.06 0.00 -1.81 0.00 0.00 57.70 54.02 2fkh n MET 41 Cb 0.66 -1.76 -0.02 0.00 -0.71 0.00 0.00 33.22 31.39 2fkh n MET 41 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2fkh n GLY 42 N -0.53 0.80 3.88 3.03 0.00 0.89 -5.02 105.19 108.24 2fkh n GLY 42 Ca 0.38 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2fkh n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fkh s HIS 43 N -2.13 3.53 -0.31 1.61 4.02 -0.35 -5.01 115.29 116.67 2fkh s HIS 43 Ca 0.00 0.40 -0.15 0.00 1.02 0.00 0.00 55.06 56.33 2fkh s HIS 43 Cb 0.00 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.58 29.68 2fkh s HIS 43 CO 0.00 0.67 0.35 1.21 1.02 0.00 0.00 174.74 177.99 2fkh s ASN 44 N -1.58 6.19 0.41 1.40 3.04 -1.26 -3.81 114.94 119.33 2fkh s ASN 44 Ca 0.22 0.01 0.20 0.00 0.04 0.00 0.00 52.86 53.33 2fkh s ASN 44 Cb -0.12 -2.20 1.14 0.00 -1.54 0.00 0.00 41.25 38.53 2fkh s ASN 44 CO 0.13 -0.25 1.76 -0.07 -3.04 0.00 0.00 177.10 175.63 2fkh h LEU 45 N 8.66 0.42 -0.78 3.21 3.38 -1.95 0.23 115.31 128.48 2fkh h LEU 45 Ca -0.31 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 2fkh h LEU 45 Cb 1.16 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2fkh h LEU 45 CO 0.66 0.07 -0.53 0.44 0.09 0.00 0.00 178.44 179.16 2fkh h ASP 46 N 0.36 0.00 0.44 -0.43 3.32 -2.04 -3.12 116.42 114.95 2fkh h ASP 46 Ca 0.60 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.44 2fkh h ASP 46 Cb 1.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.14 2fkh h ASP 46 CO -0.29 0.53 -0.94 1.05 -1.72 0.00 0.00 179.24 177.87 2fkh h GLU 47 N 0.00 0.32 -6.68 3.56 4.11 -1.38 -3.46 114.58 111.06 2fkh h GLU 47 Ca -0.01 -0.36 -0.58 0.00 0.07 0.00 0.00 59.36 58.48 2fkh h GLU 47 Cb 1.05 0.11 0.13 0.00 0.50 0.00 0.00 28.75 30.53 2fkh h GLU 47 CO 0.07 1.06 0.25 -0.89 0.07 0.00 0.00 179.01 179.56 2fkh n ILE 48 N -3.70 2.44 0.01 -1.06 2.08 -0.97 -2.28 119.36 115.88 2fkh n ILE 48 Ca -0.06 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.75 2fkh n ILE 48 Cb 0.84 -1.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.47 2fkh n ILE 48 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2fkh n LYS 49 N 0.16 0.00 -4.30 0.38 5.02 -0.41 -4.84 118.16 114.17 2fkh n LYS 49 Ca 0.09 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.18 2fkh n LYS 49 Cb 0.39 -0.09 -0.11 0.00 -0.02 0.00 0.00 35.03 35.20 2fkh n LYS 49 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2fkh s SER 50 N -5.16 2.36 -0.16 4.39 1.04 -1.17 -5.01 113.70 109.99 2fkh s SER 50 Ca 0.00 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 2fkh s SER 50 Cb 0.00 -0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.08 2fkh s SER 50 CO 0.00 -0.12 0.22 -0.69 0.98 0.00 0.00 173.24 173.63 2fkh s VAL 51 N -2.36 -0.33 -0.05 5.02 1.01 -1.26 -1.18 120.40 121.25 2fkh s VAL 51 Ca 0.15 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 2fkh s VAL 51 Cb -0.04 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2fkh s VAL 51 CO 0.05 -0.04 0.07 -1.59 0.00 0.00 0.00 175.10 173.59 2fkh s LYS 52 N 2.34 3.12 -0.34 2.72 -2.85 -0.90 -3.96 119.74 119.87 2fkh s LYS 52 Ca 0.05 -0.39 0.03 0.00 -1.00 0.00 0.00 55.97 54.65 2fkh s LYS 52 Cb -0.14 -2.91 0.10 0.00 -2.06 0.00 0.00 37.83 32.82 2fkh s LYS 52 CO -0.10 0.69 0.08 0.00 0.10 0.00 0.00 175.35 176.12 2fkh s ALA 53 N -1.08 2.55 -0.11 0.59 0.00 -1.26 -1.30 121.76 121.16 2fkh s ALA 53 Ca 0.19 -2.36 -0.19 0.00 0.00 0.00 0.00 51.96 49.60 2fkh s ALA 53 Cb -0.12 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2fkh s ALA 53 CO 0.09 -1.71 0.50 0.08 0.00 0.00 0.00 175.76 174.72 2fkh s VAL 54 N 1.00 5.16 -0.57 0.00 1.01 -1.13 -4.83 120.40 121.04 2fkh s VAL 54 Ca 0.11 1.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.90 2fkh s VAL 54 Cb -0.19 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.42 2fkh s VAL 54 CO -0.12 0.33 0.77 -0.69 0.00 0.00 0.00 175.10 175.39 2fkh s VAL 55 N 0.57 4.66 0.72 2.92 1.01 -1.26 -0.07 120.40 128.95 2fkh s VAL 55 Ca 0.27 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 2fkh s VAL 55 Cb -0.16 -4.47 0.03 0.00 0.00 0.00 0.00 36.38 31.78 2fkh s VAL 55 CO 0.11 -1.08 1.09 -0.76 0.00 0.00 0.00 175.10 174.46 2fkh s LEU 56 N 3.16 3.16 -0.39 3.92 2.01 0.18 -4.96 118.68 125.76 2fkh s LEU 56 Ca 0.18 1.83 0.11 0.00 0.01 0.00 0.00 54.13 56.26 2fkh s LEU 56 Cb -0.19 -4.52 0.34 0.00 0.01 0.00 0.00 46.19 41.82 2fkh s LEU 56 CO 0.11 -1.79 0.78 -1.54 1.01 0.00 0.00 176.35 174.92 2fkh n SER 57 N -3.11 0.19 0.00 2.29 3.41 -1.26 -4.73 113.62 110.41 2fkh n SER 57 Ca 0.09 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.59 2fkh n SER 57 Cb 0.53 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2fkh n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fkh n GLY 58 N 0.40 0.00 1.55 5.00 0.00 -1.26 -5.17 105.19 105.71 2fkh n GLY 58 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 2fkh n GLY 58 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fkh n TYR 59 N 0.00 0.28 1.55 1.61 4.02 -1.26 -5.01 117.16 118.35 2fkh n TYR 59 Ca 0.00 -1.05 0.14 0.00 -0.01 0.00 0.00 57.90 56.98 2fkh n TYR 59 Cb 0.00 -0.15 0.78 0.00 -0.02 0.00 0.00 39.34 39.95 2fkh n TYR 59 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2fkh n LYS 60 N -0.60 0.63 -4.24 -0.72 3.00 -1.25 -4.68 118.16 110.30 2fkh n LYS 60 Ca -0.08 0.01 -0.29 0.00 -0.00 0.00 0.00 58.31 57.95 2fkh n LYS 60 Cb 0.27 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.70 2fkh n LYS 60 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2fkh s SER 61 N -2.32 4.38 -0.13 3.14 0.01 -1.19 -4.17 113.70 113.43 2fkh s SER 61 Ca 0.34 -0.42 0.07 0.00 1.31 0.00 0.00 55.95 57.25 2fkh s SER 61 Cb 0.19 -0.82 -0.13 0.00 0.21 0.00 0.00 66.02 65.48 2fkh s SER 61 CO 0.39 0.16 -0.02 0.47 0.41 0.00 0.00 173.24 174.64 2fkh n ASP 62 N 0.54 2.39 -4.36 2.44 8.00 -0.69 -4.74 116.55 120.13 2fkh n ASP 62 Ca -0.13 -0.03 -0.26 0.00 0.71 0.00 0.00 54.79 55.08 2fkh n ASP 62 Cb 0.53 0.42 -0.12 0.00 -0.02 0.00 0.00 41.12 41.93 2fkh n ASP 62 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2fkh s ILE 63 N -2.29 2.06 -0.39 0.53 1.01 -1.03 0.47 121.20 121.56 2fkh s ILE 63 Ca -0.11 -1.79 0.01 0.00 0.00 0.00 0.00 60.65 58.76 2fkh s ILE 63 Cb 0.04 -1.88 0.13 0.00 0.01 0.00 0.00 42.46 40.76 2fkh s ILE 63 CO 0.43 -0.07 0.21 0.21 0.00 0.00 0.00 174.94 175.72 2fkh s ASN 64 N -2.26 3.54 -0.12 3.58 3.04 0.90 -2.08 114.94 121.53 2fkh s ASN 64 Ca 0.14 -2.34 -0.30 0.00 0.04 0.00 0.00 52.86 50.41 2fkh s ASN 64 Cb -0.09 -0.84 -0.02 0.00 -1.54 0.00 0.00 41.25 38.77 2fkh s ASN 64 CO 0.07 -0.30 1.19 -0.69 -3.04 0.00 0.00 177.10 174.32 2fkh s VAL 65 N 0.76 4.36 -0.29 -5.21 1.01 -0.73 -2.85 120.40 117.45 2fkh s VAL 65 Ca 0.16 1.66 -0.06 0.00 0.00 0.00 0.00 61.98 63.74 2fkh s VAL 65 Cb -0.23 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2fkh s VAL 65 CO -0.04 -0.07 0.07 -1.10 0.00 0.00 0.00 175.10 173.96 2fkh s GLN 66 N 2.80 3.01 -0.36 2.72 -0.21 -0.42 -0.82 119.66 126.38 2fkh s GLN 66 Ca 0.53 -0.91 -0.08 0.00 0.02 0.00 0.00 55.36 54.93 2fkh s GLN 66 Cb -0.22 -3.34 0.04 0.00 1.00 0.00 0.00 33.01 30.49 2fkh s GLN 66 CO 0.17 -0.46 0.15 0.08 -2.12 0.00 0.00 175.29 173.11 2fkh s VAL 67 N 1.47 4.10 0.15 1.09 1.01 -0.22 -2.11 120.40 125.89 2fkh s VAL 67 Ca 0.02 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 2fkh s VAL 67 Cb -0.17 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 2fkh s VAL 67 CO 0.02 -0.23 0.85 -1.48 0.00 0.00 0.00 175.10 174.26 2fkh s LEU 68 N 1.46 4.56 0.29 3.92 -0.00 -0.32 -2.02 118.68 126.57 2fkh s LEU 68 Ca 0.00 1.71 0.03 0.00 -0.00 0.00 0.00 54.13 55.86 2fkh s LEU 68 Cb -0.20 -3.42 -0.06 0.00 -0.00 0.00 0.00 46.19 42.52 2fkh s LEU 68 CO 0.04 0.10 0.08 0.54 -0.00 0.00 0.00 176.35 177.11 2fkh s VAL 69 N -0.71 0.88 -0.09 1.48 0.11 -1.26 -1.29 120.40 119.53 2fkh s VAL 69 Ca 0.40 -2.00 -0.20 0.00 -2.93 0.00 0.00 61.98 57.24 2fkh s VAL 69 Cb -0.23 -2.71 -0.17 0.00 -1.53 0.00 0.00 36.38 31.74 2fkh s VAL 69 CO 0.28 -0.01 0.72 -0.26 -3.33 0.00 0.00 175.10 172.49 2fkh h PHE 70 N 2.26 -0.09 -0.99 1.54 0.05 -1.78 -3.37 116.94 114.55 2fkh h PHE 70 Ca -0.39 -0.00 0.16 0.00 3.82 0.00 0.00 57.97 61.56 2fkh h PHE 70 Cb 1.24 0.03 -0.17 0.00 2.00 0.00 0.00 35.95 39.06 2fkh h PHE 70 CO 0.52 0.45 -0.36 1.88 -0.18 0.00 0.00 178.31 180.62 2fkh h TYR 71 N -0.90 -0.99 -2.65 -0.55 0.99 -1.99 -3.43 116.97 107.46 2fkh h TYR 71 Ca -0.01 0.10 -0.49 0.00 2.00 0.00 0.00 58.73 60.33 2fkh h TYR 71 Cb 0.58 0.58 -0.14 0.00 1.00 0.00 0.00 36.73 38.75 2fkh h TYR 71 CO 0.13 -0.41 -0.69 -1.59 -0.00 0.00 0.00 178.16 175.61 2fkh s LYS 72 N -6.01 1.53 0.09 4.88 -2.85 -1.26 -5.04 119.74 111.08 2fkh s LYS 72 Ca -0.14 -1.76 0.10 0.00 -1.00 0.00 0.00 55.97 53.17 2fkh s LYS 72 Cb 0.22 -1.18 -0.18 0.00 -2.06 0.00 0.00 37.83 34.63 2fkh s LYS 72 CO 0.73 0.07 1.08 -0.44 0.10 0.00 0.00 175.35 176.88 2fkh h ASP 73 N 2.31 0.00 -3.79 0.03 3.45 -1.83 -3.39 116.42 113.20 2fkh h ASP 73 Ca -0.40 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 56.54 2fkh h ASP 73 Cb 1.23 0.00 0.05 0.00 -0.56 0.00 0.00 39.33 40.05 2fkh h ASP 73 CO 0.66 0.90 0.60 0.00 -1.57 0.00 0.00 179.24 179.84 2fkh s ALA 74 N -2.73 3.48 0.69 3.45 0.00 -1.26 -4.90 121.76 120.49 2fkh s ALA 74 Ca -0.01 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 2fkh s ALA 74 Cb 0.09 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2fkh s ALA 74 CO 0.81 -0.52 1.06 -0.51 0.00 0.00 0.00 175.76 176.61 2fkh s LEU 75 N -1.46 3.05 -0.34 0.00 1.43 -1.26 -4.67 118.68 115.43 2fkh s LEU 75 Ca 0.49 1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 2fkh s LEU 75 Cb -0.38 -4.31 0.07 0.00 0.03 0.00 0.00 46.19 41.61 2fkh s LEU 75 CO 0.48 -1.31 0.07 -1.81 0.23 0.00 0.00 176.35 174.01 2fkh s ASP 76 N -4.04 4.99 -0.15 2.29 1.11 -0.86 -4.93 116.67 115.09 2fkh s ASP 76 Ca 0.57 -1.59 -0.11 0.00 0.18 0.00 0.00 52.55 51.60 2fkh s ASP 76 Cb -0.13 -1.74 -0.05 0.00 1.07 0.00 0.00 42.92 42.08 2fkh s ASP 76 CO 0.54 -0.36 0.23 -0.63 1.18 0.00 0.00 175.17 176.13 2fkh s ILE 77 N 1.18 5.35 -0.18 0.77 1.01 -1.26 -1.05 121.20 127.01 2fkh s ILE 77 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.08 2fkh s ILE 77 Cb -0.21 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.74 2fkh s ILE 77 CO -0.03 0.47 -0.18 -1.00 0.00 0.00 0.00 174.94 174.21 2fkh s HIS 78 N -0.02 2.69 -0.45 3.97 3.76 0.00 -5.00 115.29 120.23 2fkh s HIS 78 Ca 0.15 -1.63 -0.21 0.00 -0.15 0.00 0.00 55.06 53.22 2fkh s HIS 78 Cb -0.13 -1.85 0.03 0.00 1.11 0.00 0.00 32.58 31.75 2fkh s HIS 78 CO 0.03 -0.79 0.65 -0.80 -0.85 0.00 0.00 174.74 172.99 2fkh s ASN 79 N 1.32 6.31 -0.12 1.40 0.01 -1.26 -1.78 114.94 120.82 2fkh s ASN 79 Ca 0.03 -0.41 -0.03 0.00 -0.71 0.00 0.00 52.86 51.75 2fkh s ASN 79 Cb -0.14 -2.32 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 2fkh s ASN 79 CO -0.12 -0.81 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.02 2fkh s ILE 80 N 2.84 4.14 -0.27 0.60 1.01 -0.88 -1.80 121.20 126.84 2fkh s ILE 80 Ca 0.22 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 2fkh s ILE 80 Cb -0.15 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 2fkh s ILE 80 CO 0.18 0.55 0.25 -1.58 0.00 0.00 0.00 174.94 174.34 2fkh s GLN 81 N -0.25 3.99 -0.08 2.79 2.00 0.59 -1.70 119.66 126.99 2fkh s GLN 81 Ca 0.05 -0.18 -0.00 0.00 -2.00 0.00 0.00 55.36 53.23 2fkh s GLN 81 Cb -0.12 -3.64 -0.03 0.00 0.80 0.00 0.00 33.01 30.01 2fkh s GLN 81 CO 0.02 -0.19 -0.05 0.08 -0.50 0.00 0.00 175.29 174.66 2fkh s VAL 82 N 1.78 3.87 0.03 1.34 1.01 -1.26 -0.03 120.40 127.14 2fkh s VAL 82 Ca 0.10 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2fkh s VAL 82 Cb -0.16 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2fkh s VAL 82 CO 0.10 0.59 -0.07 -0.54 0.00 0.00 0.00 175.10 175.19 2fkh s LYS 83 N -0.75 0.47 -0.05 2.72 1.02 -0.59 -4.95 119.74 117.61 2fkh s LYS 83 Ca 0.11 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.49 2fkh s LYS 83 Cb -0.11 -0.23 -0.00 0.00 -0.52 0.00 0.00 37.83 36.97 2fkh s LYS 83 CO 0.02 0.04 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.14 2fkh s LEU 84 N -1.38 1.90 -0.16 3.17 2.96 -1.26 -0.57 118.68 123.34 2fkh s LEU 84 Ca -0.10 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 2fkh s LEU 84 Cb -0.09 -1.02 0.03 0.00 0.50 0.00 0.00 46.19 45.61 2fkh s LEU 84 CO 0.00 0.14 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.35 2fkh s VAL 85 N 0.15 1.56 -2.12 1.68 1.01 -0.05 -4.96 120.40 117.66 2fkh s VAL 85 Ca -0.07 -0.70 0.19 0.00 0.00 0.00 0.00 61.98 61.40 2fkh s VAL 85 Cb -0.13 -1.51 0.47 0.00 0.00 0.00 0.00 36.38 35.22 2fkh s VAL 85 CO 0.03 0.39 1.43 -1.20 0.00 0.00 0.00 175.10 175.75 2fkh n SER 86 N 4.76 2.87 -2.45 3.32 7.64 -1.26 -1.51 113.62 126.99 2fkh n SER 86 Ca -0.16 -1.96 -0.12 0.00 1.01 0.00 0.00 58.87 57.64 2fkh n SER 86 Cb 0.49 -0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 2fkh n SER 86 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2fkh n ASN 87 N 1.07 0.29 0.09 6.43 3.02 -1.26 -4.37 115.26 120.53 2fkh n ASN 87 Ca 0.18 -2.17 -0.01 0.00 -0.03 0.00 0.00 54.58 52.56 2fkh n ASN 87 Cb 0.47 0.74 0.27 0.00 -0.61 0.00 0.00 39.78 40.65 2fkh n ASN 87 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2fkh h LYS 88 N 0.00 0.27 -4.62 3.52 3.64 -1.94 -3.42 116.57 114.02 2fkh h LYS 88 Ca -0.15 -0.10 -0.50 0.00 -1.27 0.00 0.00 60.65 58.63 2fkh h LYS 88 Cb 0.64 -0.02 -0.33 0.00 -0.41 0.00 0.00 32.23 32.12 2fkh h LYS 88 CO 0.22 0.55 -0.81 1.03 -2.27 0.00 0.00 179.45 178.17 2fkh s ARG 89 N -4.36 1.55 0.45 1.90 1.81 -1.26 -4.95 118.95 114.10 2fkh s ARG 89 Ca -0.05 -0.40 0.08 0.00 -1.72 0.00 0.00 55.73 53.63 2fkh s ARG 89 Cb 0.14 -1.32 0.00 0.00 -0.45 0.00 0.00 34.95 33.32 2fkh s ARG 89 CO 0.76 0.06 0.45 0.20 -0.68 0.00 0.00 175.30 176.09 2fkh s GLY 90 N 0.53 2.10 -0.45 -3.53 0.00 -1.26 -4.94 107.32 99.77 2fkh s GLY 90 Ca -0.11 -1.81 0.06 0.00 0.00 0.00 0.00 44.72 42.86 2fkh s GLY 90 CO 0.03 -1.70 0.66 0.33 0.00 0.00 0.00 173.10 172.42 2fkh n PHE 91 N -1.68 -2.21 -3.64 1.90 -0.00 -1.26 -4.42 117.46 106.15 2fkh n PHE 91 Ca 0.05 -2.44 -0.38 0.00 -0.00 0.00 0.00 57.45 54.68 2fkh n PHE 91 Cb 0.62 0.79 -0.06 0.00 -0.00 0.00 0.00 39.48 40.83 2fkh n PHE 91 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 2fkh s ASN 92 N -0.74 6.65 0.26 -2.13 -0.87 -0.62 -4.88 114.94 112.61 2fkh s ASN 92 Ca 0.33 0.77 -0.29 0.00 -1.57 0.00 0.00 52.86 52.10 2fkh s ASN 92 Cb 0.14 -2.18 -0.09 0.00 -0.02 0.00 0.00 41.25 39.09 2fkh s ASN 92 CO -0.16 0.35 0.97 -1.58 -2.57 0.00 0.00 177.10 174.11 2fkh s GLN 93 N -1.02 4.76 0.00 -0.60 0.74 -1.26 -1.03 119.66 121.25 2fkh s GLN 93 Ca 0.20 1.52 0.00 0.00 0.05 0.00 0.00 55.36 57.14 2fkh s GLN 93 Cb -0.15 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.79 2fkh s GLN 93 CO 0.10 0.41 0.55 0.44 -0.55 0.00 0.00 175.29 176.24 2fkh n ILE 94 N 1.25 0.27 0.00 -2.34 -5.35 0.59 -4.93 119.36 108.84 2fkh n ILE 94 Ca -0.01 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 2fkh n ILE 94 Cb 0.47 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 2fkh n ILE 94 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2fkh n ASP 95 N -0.14 0.00 -3.73 7.28 -0.08 -1.23 -4.74 116.55 113.91 2fkh n ASP 95 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 2fkh n ASP 95 Cb 0.16 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.52 2fkh n ASP 95 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2fkh s LYS 96 N -0.43 0.48 0.06 -0.67 2.20 -1.26 -1.42 119.74 118.70 2fkh s LYS 96 Ca 0.00 0.59 -0.27 0.00 -0.36 0.00 0.00 55.97 55.92 2fkh s LYS 96 Cb 0.00 0.22 0.09 0.00 -1.51 0.00 0.00 37.83 36.64 2fkh s LYS 96 CO 0.00 -0.06 1.17 -1.01 -0.36 0.00 0.00 175.35 175.08 2fkh s HIS 97 N 0.28 -0.03 0.42 4.03 3.76 -1.09 -5.01 115.29 117.65 2fkh s HIS 97 Ca -0.00 -0.18 -0.17 0.00 -0.15 0.00 0.00 55.06 54.55 2fkh s HIS 97 Cb -0.03 0.60 -0.09 0.00 1.11 0.00 0.00 32.58 34.17 2fkh s HIS 97 CO -0.00 -0.53 0.88 -1.58 -0.85 0.00 0.00 174.74 172.66 2fkh s TRP 98 N -2.49 3.38 0.36 1.40 0.52 -1.26 -1.27 118.94 119.58 2fkh s TRP 98 Ca 0.18 1.41 0.08 0.00 0.02 0.00 0.00 56.10 57.79 2fkh s TRP 98 Cb 0.01 -2.71 0.79 0.00 -1.15 0.00 0.00 33.47 30.42 2fkh s TRP 98 CO -0.00 -0.11 1.91 -0.07 0.02 0.00 0.00 176.95 178.70 2fkh h LEU 99 N 1.70 0.65 -0.81 2.99 3.38 -1.95 -0.18 115.31 121.09 2fkh h LEU 99 Ca -0.48 0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.63 2fkh h LEU 99 Cb 1.18 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 2fkh h LEU 99 CO 0.63 0.37 0.43 0.00 0.09 0.00 0.00 178.44 179.95 2fkh h ALA 100 N 1.60 1.18 -0.06 1.53 0.00 -1.97 0.19 119.26 121.73 2fkh h ALA 100 Ca 0.38 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.38 2fkh h ALA 100 Cb 0.52 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2fkh h ALA 100 CO -0.15 -0.02 -0.08 1.25 0.00 0.00 0.00 179.25 180.25 2fkh h HIS 101 N 0.67 -0.19 -0.66 0.00 -0.00 -1.41 -2.63 115.15 110.94 2fkh h HIS 101 Ca 0.42 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.77 2fkh h HIS 101 Cb 0.50 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.97 2fkh h HIS 101 CO -0.09 -0.12 0.31 1.88 -0.00 0.00 0.00 177.93 179.91 2fkh h TYR 102 N -0.11 0.95 -0.90 5.26 0.05 -1.16 -2.57 116.97 118.50 2fkh h TYR 102 Ca 0.05 -0.05 0.08 0.00 0.05 0.00 0.00 58.73 58.86 2fkh h TYR 102 Cb 0.17 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 37.55 2fkh h TYR 102 CO -0.17 0.72 0.55 0.37 -1.05 0.00 0.00 178.16 178.58 2fkh h GLN 103 N 0.91 0.92 -0.78 4.88 4.15 -0.78 0.62 115.11 125.03 2fkh h GLN 103 Ca 0.22 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 2fkh h GLN 103 Cb 0.13 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2fkh h GLN 103 CO -0.03 0.61 0.29 1.49 -1.93 0.00 0.00 178.83 179.27 2fkh h GLU 104 N 0.95 1.17 0.40 1.69 4.81 -1.11 1.89 114.58 124.39 2fkh h GLU 104 Ca 0.41 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2fkh h GLU 104 Cb 0.29 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2fkh h GLU 104 CO -0.21 0.96 -0.19 0.52 -0.73 0.00 0.00 179.01 179.36 2fkh h MET 105 N 1.14 -0.52 0.00 1.92 2.86 -0.85 -3.34 114.93 116.15 2fkh h MET 105 Ca 0.26 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2fkh h MET 105 Cb 0.24 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2fkh h MET 105 CO -0.02 -0.21 -0.66 0.91 1.06 0.00 0.00 176.91 177.99 2fkh n TRP 106 N -5.17 0.53 -3.38 -0.22 8.01 0.08 -5.01 117.44 112.29 2fkh n TRP 106 Ca -0.09 0.16 -0.19 0.00 -1.31 0.00 0.00 57.50 56.06 2fkh n TRP 106 Cb 0.28 -0.64 0.06 0.00 -2.01 0.00 0.00 31.31 29.00 2fkh n TRP 106 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2fkh n LYS 107 N -2.10 -1.83 -3.34 -0.99 5.02 0.64 -5.01 118.16 110.55 2fkh n LYS 107 Ca 0.03 0.79 -0.19 0.00 -2.02 0.00 0.00 58.31 56.92 2fkh n LYS 107 Cb 0.44 -5.23 -0.01 0.00 -0.02 0.00 0.00 35.03 30.21 2fkh n LYS 107 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2fkh s PHE 108 N -3.37 2.76 0.72 2.13 -0.12 -1.24 -5.06 117.98 113.79 2fkh s PHE 108 Ca 0.42 -0.45 -0.18 0.00 -0.05 0.00 0.00 56.93 56.68 2fkh s PHE 108 Cb -0.09 -2.25 -0.15 0.00 -0.63 0.00 0.00 43.02 39.90 2fkh s PHE 108 CO 0.78 -0.24 -0.38 -3.47 -0.05 0.00 0.00 175.22 171.86 2fkh n ASP 109 N -1.67 -4.57 0.10 1.98 2.03 -1.26 -4.84 116.55 108.32 2fkh n ASP 109 Ca 0.05 0.46 0.13 0.00 0.52 0.00 0.00 54.79 55.95 2fkh n ASP 109 Cb 0.61 -0.83 0.43 0.00 -0.72 0.00 0.00 41.12 40.60 2fkh n ASP 109 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2fkh n ASP 110 N 2.81 0.74 -0.05 1.67 8.00 -1.26 -3.02 116.55 125.45 2fkh n ASP 110 Ca 0.04 0.57 -0.12 0.00 0.71 0.00 0.00 54.79 55.99 2fkh n ASP 110 Cb 0.51 -0.77 -0.11 0.00 -0.02 0.00 0.00 41.12 40.73 2fkh n ASP 110 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2fkh h ASN 111 N 0.00 -0.02 -0.59 -2.24 -1.24 -1.99 -2.50 115.58 107.00 2fkh h ASN 111 Ca 0.00 -0.76 0.05 0.00 0.71 0.00 0.00 56.30 56.30 2fkh h ASN 111 Cb 0.71 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.73 2fkh h ASN 111 CO 0.00 0.82 0.39 0.25 -1.29 0.00 0.00 177.43 177.60 2fkh h LEU 112 N -0.93 0.53 -0.51 0.34 5.85 -1.91 0.59 115.31 119.27 2fkh h LEU 112 Ca -0.00 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2fkh h LEU 112 Cb 0.77 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2fkh h LEU 112 CO 0.00 0.35 0.22 0.25 -0.34 0.00 0.00 178.44 178.92 2fkh h LEU 113 N 0.61 0.69 0.35 2.25 5.85 -1.58 0.34 115.31 123.81 2fkh h LEU 113 Ca 0.25 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2fkh h LEU 113 Cb 0.21 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2fkh h LEU 113 CO -0.07 0.66 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.43 2fkh h ARG 114 N 0.68 -0.45 0.26 1.25 2.43 -0.63 -0.78 114.38 117.14 2fkh h ARG 114 Ca 0.17 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2fkh h ARG 114 Cb 0.17 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2fkh h ARG 114 CO -0.02 -0.30 -0.34 0.82 -1.51 0.00 0.00 179.97 178.62 2fkh h ILE 115 N -0.47 0.29 -0.47 1.20 2.04 -0.68 -2.17 117.51 117.25 2fkh h ILE 115 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2fkh h ILE 115 Cb 0.36 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2fkh h ILE 115 CO 0.08 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.47 2fkh h LEU 116 N -0.65 0.33 -0.73 1.44 3.38 -0.26 -1.07 115.31 117.76 2fkh h LEU 116 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2fkh h LEU 116 Cb 0.62 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2fkh h LEU 116 CO -0.11 0.21 -0.32 0.03 0.09 0.00 0.00 178.44 178.34 2fkh h ARG 117 N 0.38 0.61 -0.51 1.13 3.08 -0.74 0.82 114.38 119.14 2fkh h ARG 117 Ca 0.21 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2fkh h ARG 117 Cb 0.34 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2fkh h ARG 117 CO -0.05 0.86 -0.01 0.45 -1.07 0.00 0.00 179.97 180.14 2fkh h HIS 118 N 0.52 0.94 -0.18 3.04 3.86 -0.62 0.19 115.15 122.90 2fkh h HIS 118 Ca 0.06 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 2fkh h HIS 118 Cb 0.81 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2fkh h HIS 118 CO 0.03 0.86 0.05 0.35 0.86 0.00 0.00 177.93 180.08 2fkh h PHE 119 N 0.81 0.30 0.00 2.45 3.57 -0.37 -1.80 116.94 121.90 2fkh h PHE 119 Ca 0.15 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.44 2fkh h PHE 119 Cb 0.50 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2fkh h PHE 119 CO 0.03 0.41 -0.85 1.79 -2.23 0.00 0.00 178.31 177.45 2fkh h THR 120 N 0.11 1.61 0.00 4.41 1.35 -0.78 -3.36 112.91 116.24 2fkh h THR 120 Ca 0.06 -2.93 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 2fkh h THR 120 Cb 0.26 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2fkh h THR 120 CO -0.00 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 2fkh n GLY 121 N 0.93 0.93 0.25 5.82 0.00 0.51 -4.49 105.19 109.14 2fkh n GLY 121 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2fkh n GLY 121 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2fkh h GLU 122 N 2.25 0.00 -6.38 1.61 5.08 -1.31 -3.40 114.58 112.44 2fkh h GLU 122 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 2fkh h GLU 122 Cb 0.00 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 28.98 2fkh h GLU 122 CO 0.00 0.10 -0.83 -0.51 -1.00 0.00 0.00 179.01 176.77 2fkh s LEU 123 N -8.44 2.39 0.45 1.33 1.43 -0.89 -5.00 118.68 109.95 2fkh s LEU 123 Ca -0.04 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.49 2fkh s LEU 123 Cb 0.16 -1.45 -0.08 0.00 0.03 0.00 0.00 46.19 44.84 2fkh s LEU 123 CO 0.65 0.32 1.10 -2.16 0.23 0.00 0.00 176.35 176.49 2fkh s PRO 124 N -0.59 3.89 0.43 1.29 0.04 -1.26 -4.40 135.00 134.40 2fkh s PRO 124 Ca 0.09 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 2fkh s PRO 124 Cb -0.11 -2.37 -0.13 0.00 0.04 0.00 0.00 34.50 31.93 2fkh s PRO 124 CO 0.00 -0.40 0.40 -2.30 0.04 0.00 0.00 177.00 174.74 2fkh n PRO 125 N -0.47 0.39 -0.87 0.56 -0.02 -1.26 -4.81 135.00 128.52 2fkh n PRO 125 Ca 0.07 0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.52 2fkh n PRO 125 Cb 0.50 -1.37 0.12 0.00 -0.02 0.00 0.00 33.50 32.73 2fkh n PRO 125 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2fkh n TYR 126 N -1.01 2.16 0.00 6.00 0.18 -1.26 -4.85 117.16 118.39 2fkh n TYR 126 Ca 0.11 -1.48 0.00 0.00 1.88 0.00 0.00 57.90 58.41 2fkh n TYR 126 Cb 0.41 -0.76 0.00 0.00 -0.38 0.00 0.00 39.34 38.61 2fkh n TYR 126 CO 0.00 0.00 0.00 -2.39 -2.08 0.00 0.00 176.86 172.39 2fkh n HIS 127 N -0.64 0.00 0.00 -3.48 1.44 -1.26 -5.16 115.22 106.12 2fkh n HIS 127 Ca 0.42 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.13 2fkh n HIS 127 Cb 1.30 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.41 2fkh n HIS 127 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2fkh n SER 128 N 0.00 0.00 -3.92 4.39 3.41 -1.26 -4.53 113.62 111.71 2fkh n SER 128 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2fkh n SER 128 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2fkh n SER 128 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2fkh n ASN 129 N 0.00 -1.28 -4.12 4.04 4.13 -1.26 -4.98 115.26 111.79 2fkh n ASN 129 Ca 0.00 -0.94 -0.22 0.00 1.68 0.00 0.00 54.58 55.10 2fkh n ASN 129 Cb 0.00 -3.33 -0.15 0.00 -1.54 0.00 0.00 39.78 34.76 2fkh n ASN 129 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2fkh s THR 130 N -3.75 1.12 0.24 3.41 -4.23 -1.26 -5.05 115.64 106.12 2fkh s THR 130 Ca 0.15 -0.67 -0.05 0.00 -1.18 0.00 0.00 61.69 59.94 2fkh s THR 130 Cb -0.08 -0.95 0.21 0.00 1.34 0.00 0.00 72.50 73.02 2fkh s THR 130 CO 0.87 0.27 1.72 0.07 -0.54 0.00 0.00 174.62 177.01 2fkh h LYS 131 N 5.66 0.39 -6.46 3.99 2.10 -1.94 -3.40 116.57 116.92 2fkh h LYS 131 Ca -0.35 -0.02 -0.70 0.00 -2.00 0.00 0.00 60.65 57.58 2fkh h LYS 131 Cb 1.16 -0.09 -0.26 0.00 -0.90 0.00 0.00 32.23 32.14 2fkh h LYS 131 CO 0.48 0.26 -0.82 0.34 -2.00 0.00 0.00 179.45 177.71 2fkh s ASP 132 N -5.33 3.58 0.28 7.07 -1.08 -1.26 -5.02 116.67 114.91 2fkh s ASP 132 Ca -0.13 -0.32 0.18 0.00 -0.52 0.00 0.00 52.55 51.76 2fkh s ASP 132 Cb 0.20 -0.61 0.09 0.00 -1.46 0.00 0.00 42.92 41.14 2fkh s ASP 132 CO 0.76 0.33 1.34 0.07 0.52 0.00 0.00 175.17 178.19 2fkh h LYS 133 N 5.39 0.00 0.00 4.34 5.09 -2.02 -3.31 116.57 126.06 2fkh h LYS 133 Ca -0.45 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.20 2fkh h LYS 133 Cb 1.14 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.45 2fkh h LYS 133 CO 0.49 0.29 -0.45 0.00 -2.09 0.00 0.00 179.45 177.68 2fkh h ARG 134 N 0.00 0.00 0.00 0.07 -0.00 -1.96 -3.42 114.38 109.07 2fkh h ARG 134 Ca -0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 2fkh h ARG 134 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.25 2fkh h ARG 134 CO 0.04 0.45 -0.00 2.89 0.00 0.00 0.00 179.97 183.35 2fkh n ARG 135 N -3.26 0.03 -4.37 0.04 -4.01 -1.25 -4.54 116.66 99.30 2fkh n ARG 135 Ca 0.02 -0.08 -0.21 0.00 -1.04 0.00 0.00 57.85 56.53 2fkh n ARG 135 Cb 0.68 0.08 -0.11 0.00 -3.04 0.00 0.00 32.46 30.08 2fkh n ARG 135 CO 0.00 0.00 0.00 -1.64 -3.04 0.00 0.00 177.63 172.95 2fkh s MET 136 N -2.02 1.39 0.21 2.89 -1.94 -0.68 -4.46 119.30 114.69 2fkh s MET 136 Ca 0.01 -1.55 0.07 0.00 -1.71 0.00 0.00 55.69 52.51 2fkh s MET 136 Cb -0.00 -1.36 -0.04 0.00 2.01 0.00 0.00 34.83 35.44 2fkh s MET 136 CO 0.01 0.26 0.05 -0.06 -0.01 0.00 0.00 175.02 175.26 2fkh s PHE 137 N -2.47 2.90 0.28 -0.03 0.40 -1.26 -4.37 117.98 113.43 2fkh s PHE 137 Ca 0.21 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 2fkh s PHE 137 Cb -0.04 -1.36 0.60 0.00 0.51 0.00 0.00 43.02 42.74 2fkh s PHE 137 CO 0.08 0.54 1.81 0.52 0.70 0.00 0.00 175.22 178.87 2fkh h MET 138 N 2.26 0.84 0.00 0.44 2.86 -1.52 0.27 114.93 120.08 2fkh h MET 138 Ca -0.47 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2fkh h MET 138 Cb 1.22 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 2fkh h MET 138 CO 0.60 0.55 -0.01 1.15 1.06 0.00 0.00 176.91 180.26 2fkh h THR 139 N 0.86 0.07 -0.49 2.22 2.02 -1.93 -2.66 112.91 113.00 2fkh h THR 139 Ca 0.51 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.45 2fkh h THR 139 Cb 0.64 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2fkh h THR 139 CO -0.32 0.01 0.00 -0.62 0.37 0.00 0.00 175.52 174.97 2fkh n GLU 140 N -3.15 2.56 -3.68 6.66 1.02 0.95 -4.91 120.64 120.07 2fkh n GLU 140 Ca -0.02 -1.93 -0.21 0.00 -0.02 0.00 0.00 57.16 54.99 2fkh n GLU 140 Cb 0.17 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 2fkh n GLU 140 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2fkh s PHE 141 N -1.53 2.89 1.25 -0.32 0.08 -1.00 -4.86 117.98 114.49 2fkh s PHE 141 Ca 0.35 -0.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.90 2fkh s PHE 141 Cb 0.21 -1.92 0.31 0.00 -0.57 0.00 0.00 43.02 41.05 2fkh s PHE 141 CO 0.20 0.08 1.01 -1.54 -0.10 0.00 0.00 175.22 174.87 2fkh s SER 142 N -4.06 0.34 0.25 1.36 1.04 -1.26 -4.74 113.70 106.63 2fkh s SER 142 Ca 0.43 1.05 0.13 0.00 0.48 0.00 0.00 55.95 58.04 2fkh s SER 142 Cb -0.06 -1.57 0.17 0.00 0.10 0.00 0.00 66.02 64.66 2fkh s SER 142 CO 0.28 -4.53 1.49 -0.61 0.98 0.00 0.00 173.24 170.85 2fkh h GLN 143 N -2.85 0.00 -0.24 4.02 5.75 -1.97 -2.15 115.11 117.67 2fkh h GLN 143 Ca -0.51 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 57.88 2fkh h GLN 143 Cb 1.33 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.88 2fkh h GLN 143 CO 0.40 0.64 -0.26 0.93 -2.65 0.00 0.00 178.83 177.89 2fkh h GLU 144 N 0.00 0.60 0.36 1.69 3.07 -1.99 -2.58 114.58 115.73 2fkh h GLU 144 Ca -0.01 -0.32 -0.02 0.00 -0.50 0.00 0.00 59.36 58.51 2fkh h GLU 144 Cb 1.34 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2fkh h GLU 144 CO 0.08 0.92 -0.17 0.93 -1.40 0.00 0.00 179.01 179.37 2fkh h GLU 145 N 0.30 -0.47 -1.10 2.33 5.08 -1.90 -0.70 114.58 118.13 2fkh h GLU 145 Ca 0.03 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 58.73 2fkh h GLU 145 Cb 0.82 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.09 2fkh h GLU 145 CO 0.06 -0.20 0.73 1.96 -1.00 0.00 0.00 179.01 180.56 2fkh h GLN 146 N -0.67 0.26 0.00 2.33 4.20 -1.43 0.62 115.11 120.43 2fkh h GLN 146 Ca -0.05 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 2fkh h GLN 146 Cb 0.48 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2fkh h GLN 146 CO 0.08 0.17 -0.96 -0.91 -0.67 0.00 0.00 178.83 176.54 2fkh h ASN 147 N 0.27 0.00 -0.47 1.46 2.35 -1.15 -2.98 115.58 115.06 2fkh h ASN 147 Ca 0.61 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.35 2fkh h ASN 147 Cb 1.78 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.13 2fkh h ASN 147 CO -0.24 0.63 0.26 0.40 -1.65 0.00 0.00 177.43 176.83 2fkh h ILE 148 N 0.00 1.16 0.57 2.81 2.04 0.68 0.49 117.51 125.26 2fkh h ILE 148 Ca -0.08 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2fkh h ILE 148 Cb 1.54 0.58 0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2fkh h ILE 148 CO 0.07 0.17 -0.27 0.58 0.00 0.00 0.00 178.15 178.70 2fkh h VAL 149 N 0.62 0.23 -0.66 1.67 2.07 -1.55 -2.49 116.25 116.15 2fkh h VAL 149 Ca 0.17 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2fkh h VAL 149 Cb 0.04 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 2fkh h VAL 149 CO -0.03 0.04 0.39 -0.07 0.02 0.00 0.00 177.57 177.92 2fkh h LEU 150 N -1.08 0.63 -1.14 2.57 3.38 -1.55 -1.37 115.31 116.75 2fkh h LEU 150 Ca -0.08 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2fkh h LEU 150 Cb 0.64 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2fkh h LEU 150 CO 0.13 0.43 0.59 0.78 0.09 0.00 0.00 178.44 180.46 2fkh h ASN 151 N 0.76 0.96 -0.09 -0.43 2.35 -0.94 0.40 115.58 118.59 2fkh h ASN 151 Ca 0.27 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 2fkh h ASN 151 Cb 0.07 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2fkh h ASN 151 CO -0.13 0.65 -0.25 -0.25 -1.65 0.00 0.00 177.43 175.80 2fkh h TRP 152 N 1.10 0.42 0.00 1.19 7.01 -0.94 0.14 115.95 124.87 2fkh h TRP 152 Ca 0.36 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 2fkh h TRP 152 Cb 0.06 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.04 2fkh h TRP 152 CO -0.00 0.86 -0.10 -0.07 -2.79 0.00 0.00 178.44 176.34 2fkh h LEU 153 N -0.14 0.00 0.12 0.65 3.38 -1.02 0.11 115.31 118.41 2fkh h LEU 153 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2fkh h LEU 153 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2fkh h LEU 153 CO 0.05 0.10 -0.06 -0.08 0.09 0.00 0.00 178.44 178.54 2fkh h GLU 154 N 0.00 -0.16 -0.16 1.13 4.57 -0.79 -2.61 114.58 116.56 2fkh h GLU 154 Ca -0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2fkh h GLU 154 Cb 0.17 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2fkh h GLU 154 CO 0.01 0.31 -0.10 -0.22 -1.18 0.00 0.00 179.01 177.83 2fkh h LYS 155 N -0.74 0.25 -1.64 1.92 3.64 -0.37 -3.06 116.57 116.58 2fkh h LYS 155 Ca -0.02 -0.05 -0.62 0.00 -1.27 0.00 0.00 60.65 58.70 2fkh h LYS 155 Cb 0.54 -0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 31.92 2fkh h LYS 155 CO 0.03 0.36 -0.48 0.09 -2.27 0.00 0.00 179.45 177.18 2fkh n ASN 156 N -4.30 5.09 0.06 4.20 3.02 0.31 -4.84 115.26 118.79 2fkh n ASN 156 Ca -0.01 -3.73 -0.12 0.00 -0.03 0.00 0.00 54.58 50.70 2fkh n ASN 156 Cb 0.24 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 2fkh n ASN 156 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2fkh h ARG 157 N 2.68 -0.21 0.72 3.52 2.43 -1.35 -2.72 114.38 119.45 2fkh h ARG 157 Ca 0.33 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2fkh h ARG 157 Cb 0.77 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2fkh h ARG 157 CO 0.93 0.23 -0.44 0.28 -1.51 0.00 0.00 179.97 179.46 2fkh h VAL 158 N -0.79 0.12 -0.84 0.20 2.07 -1.87 -0.05 116.25 115.08 2fkh h VAL 158 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 2fkh h VAL 158 Cb 0.53 0.12 -0.16 0.00 -1.52 0.00 0.00 31.29 30.26 2fkh h VAL 158 CO 0.04 0.00 -0.23 0.25 0.02 0.00 0.00 177.57 177.65 2fkh h LEU 159 N -1.09 -0.85 -0.28 2.57 5.85 -1.95 0.61 115.31 120.18 2fkh h LEU 159 Ca -0.09 0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2fkh h LEU 159 Cb 0.88 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2fkh h LEU 159 CO 0.10 -0.28 -0.02 0.58 -0.34 0.00 0.00 178.44 178.48 2fkh h VAL 160 N -0.01 1.26 -0.20 1.05 2.07 -1.28 -2.20 116.25 116.95 2fkh h VAL 160 Ca 0.39 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2fkh h VAL 160 Cb 0.61 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2fkh h VAL 160 CO -0.86 0.31 0.08 0.25 0.02 0.00 0.00 177.57 177.36 2fkh h LEU 161 N 0.28 0.10 0.01 2.57 5.85 0.52 -2.17 115.31 122.47 2fkh h LEU 161 Ca 0.08 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2fkh h LEU 161 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2fkh h LEU 161 CO 0.02 0.09 -0.00 0.71 -0.34 0.00 0.00 178.44 178.91 2fkh h THR 162 N 0.18 1.07 -0.58 1.05 1.35 -0.96 0.54 112.91 115.57 2fkh h THR 162 Ca 0.08 -0.23 0.01 0.00 -0.55 0.00 0.00 66.41 65.72 2fkh h THR 162 Cb 0.04 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 2fkh h THR 162 CO -0.08 0.06 0.38 0.44 -0.25 0.00 0.00 175.52 176.08 2fkh h ASP 163 N -0.11 0.64 0.90 5.36 5.19 -1.33 0.16 116.42 127.23 2fkh h ASP 163 Ca -0.00 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 2fkh h ASP 163 Cb 0.11 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 2fkh h ASP 163 CO 0.00 0.46 -1.14 0.16 -3.12 0.00 0.00 179.24 175.60 2fkh h ILE 164 N 0.75 0.18 0.00 0.35 3.07 -1.24 -2.94 117.51 117.68 2fkh h ILE 164 Ca 0.22 -1.36 -0.37 0.00 1.55 0.00 0.00 64.86 64.90 2fkh h ILE 164 Cb -0.05 1.69 -0.07 0.00 -0.27 0.00 0.00 36.82 38.13 2fkh h ILE 164 CO -0.05 0.10 -2.41 -0.11 -1.05 0.00 0.00 178.15 174.64 2fkh n LEU 165 N -2.76 0.70 -0.00 0.16 7.94 0.17 -4.64 117.00 118.56 2fkh n LEU 165 Ca -0.03 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2fkh n LEU 165 Cb 0.65 0.17 -0.01 0.00 0.53 0.00 0.00 43.42 44.76 2fkh n LEU 165 CO 0.41 0.60 -0.51 -2.11 -1.11 0.00 0.00 177.39 174.67 2fkh n ARG 166 N -2.87 0.39 0.00 1.96 1.85 0.48 -4.80 116.66 113.69 2fkh n ARG 166 Ca -0.36 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.48 2fkh n ARG 166 Cb 1.12 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.50 2fkh n ARG 166 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2fkh n GLY 167 N 2.49 -0.33 3.09 2.89 0.00 -0.81 -0.87 105.19 111.64 2fkh n GLY 167 Ca -0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 2fkh n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fkh n ARG 168 N 0.00 0.45 0.00 1.61 1.74 -1.26 -4.69 116.66 114.51 2fkh n ARG 168 Ca 0.00 -3.06 0.00 0.00 -0.77 0.00 0.00 57.85 54.02 2fkh n ARG 168 Cb 0.00 2.60 0.00 0.00 -1.02 0.00 0.00 32.46 34.04 2fkh n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2fkh n GLY 169 N -0.59 -2.02 0.16 -0.13 0.00 -1.26 -3.60 105.19 97.75 2fkh n GLY 169 Ca 0.06 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.67 2fkh n GLY 169 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2fkh h ASP 170 N 0.00 0.00 -0.52 1.61 3.58 -2.01 -3.22 116.42 115.86 2fkh h ASP 170 Ca 0.00 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2fkh h ASP 170 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2fkh h ASP 170 CO 0.00 0.01 0.00 0.49 -2.88 0.00 0.00 179.24 176.86 2fkh n PHE 171 N -2.65 1.88 -2.07 0.28 3.72 -1.26 -4.97 117.46 112.39 2fkh n PHE 171 Ca 0.04 -0.76 -0.37 0.00 -0.05 0.00 0.00 57.45 56.31 2fkh n PHE 171 Cb 0.48 -0.48 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 2fkh n PHE 171 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fkh s ALA 172 N -2.79 2.81 0.09 4.37 0.00 -1.22 -3.18 121.76 121.84 2fkh s ALA 172 Ca 0.53 1.05 -0.31 0.00 0.00 0.00 0.00 51.96 53.23 2fkh s ALA 172 Cb 0.41 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 2fkh s ALA 172 CO 0.15 -0.98 1.78 0.00 0.00 0.00 0.00 175.76 176.71 2fkh s ALA 173 N -1.51 3.71 -0.13 0.00 0.00 -0.05 -4.79 121.76 118.99 2fkh s ALA 173 Ca 0.70 1.34 0.15 0.00 0.00 0.00 0.00 51.96 54.14 2fkh s ALA 173 Cb -0.32 -3.75 -0.21 0.00 0.00 0.00 0.00 23.12 18.84 2fkh s ALA 173 CO 0.37 -1.22 0.11 -1.91 0.00 0.00 0.00 175.76 173.11 2fkh n GLU 174 N 5.89 1.23 -4.21 0.00 4.07 -0.75 -4.76 120.64 122.12 2fkh n GLU 174 Ca 0.17 -0.04 -0.12 0.00 -0.06 0.00 0.00 57.16 57.12 2fkh n GLU 174 Cb 0.39 -1.41 -0.10 0.00 -0.06 0.00 0.00 31.44 30.26 2fkh n GLU 174 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2fkh s TRP 175 N -2.54 1.09 -0.08 4.31 0.52 -1.07 0.29 118.94 121.46 2fkh s TRP 175 Ca -0.08 -1.15 -0.00 0.00 0.02 0.00 0.00 56.10 54.89 2fkh s TRP 175 Cb 0.06 -0.62 0.02 0.00 -1.15 0.00 0.00 33.47 31.79 2fkh s TRP 175 CO 0.67 -0.38 -0.05 0.08 0.02 0.00 0.00 176.95 177.28 2fkh s VAL 176 N -3.87 0.76 -0.32 4.03 1.01 -0.28 -0.30 120.40 121.43 2fkh s VAL 176 Ca 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2fkh s VAL 176 Cb 0.07 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.71 2fkh s VAL 176 CO 0.04 0.31 0.02 -0.22 0.00 0.00 0.00 175.10 175.26 2fkh s LEU 177 N 1.55 4.18 -0.13 3.92 0.20 0.96 -1.93 118.68 127.44 2fkh s LEU 177 Ca 0.00 -1.58 -0.14 0.00 0.69 0.00 0.00 54.13 53.11 2fkh s LEU 177 Cb -0.13 -1.69 -0.05 0.00 -0.43 0.00 0.00 46.19 43.90 2fkh s LEU 177 CO -0.05 -0.31 0.32 -0.69 -0.29 0.00 0.00 176.35 175.33 2fkh s VAL 178 N 1.14 5.27 -0.20 1.68 1.01 -0.27 -1.53 120.40 127.50 2fkh s VAL 178 Ca -0.01 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2fkh s VAL 178 Cb -0.20 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2fkh s VAL 178 CO -0.04 0.43 -0.17 0.00 0.00 0.00 0.00 175.10 175.33 2fkh s ALA 179 N 0.13 2.42 -0.18 5.51 0.00 0.26 -1.55 121.76 128.35 2fkh s ALA 179 Ca 0.18 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 2fkh s ALA 179 Cb -0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2fkh s ALA 179 CO 0.06 -0.49 -0.09 -1.14 0.00 0.00 0.00 175.76 174.11 2fkh s GLN 180 N 1.28 3.38 -0.22 0.00 0.74 -0.99 -0.88 119.66 122.98 2fkh s GLN 180 Ca 0.03 -0.65 -0.01 0.00 0.05 0.00 0.00 55.36 54.78 2fkh s GLN 180 Cb -0.14 -2.83 0.06 0.00 1.10 0.00 0.00 33.01 31.20 2fkh s GLN 180 CO -0.11 -0.01 -0.02 -1.59 -0.55 0.00 0.00 175.29 173.02 2fkh s LYS 181 N 0.94 1.26 -0.32 1.67 0.00 -0.57 -2.68 119.74 120.05 2fkh s LYS 181 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 55.97 55.18 2fkh s LYS 181 Cb -0.15 -2.42 0.10 0.00 0.00 0.00 0.00 37.83 35.37 2fkh s LYS 181 CO -0.00 -0.62 0.09 0.08 0.00 0.00 0.00 175.35 174.90 2fkh s VAL 182 N 1.57 1.36 0.00 1.79 1.01 -0.86 -4.15 120.40 121.12 2fkh s VAL 182 Ca -0.04 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.20 2fkh s VAL 182 Cb -0.18 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.18 2fkh s VAL 182 CO -0.07 -0.66 0.00 -1.20 0.00 0.00 0.00 175.10 173.18 2fkh n SER 183 N 4.62 0.00 -0.57 3.32 7.64 -1.26 -3.07 113.62 124.29 2fkh n SER 183 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 2fkh n SER 183 Cb 0.42 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.80 2fkh n SER 183 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2fkh n ASN 184 N 9.31 3.15 -4.55 6.43 0.23 -1.26 -4.97 115.26 123.59 2fkh n ASN 184 Ca 0.00 -2.66 -0.34 0.00 -0.53 0.00 0.00 54.58 51.04 2fkh n ASN 184 Cb 0.00 -0.38 -0.11 0.00 -2.08 0.00 0.00 39.78 37.21 2fkh n ASN 184 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 2fkh s ASN 185 N -1.77 5.20 -0.10 0.53 0.01 -1.18 -5.08 114.94 112.56 2fkh s ASN 185 Ca 0.31 -0.05 -0.03 0.00 -0.71 0.00 0.00 52.86 52.38 2fkh s ASN 185 Cb 0.24 -1.88 0.04 0.00 0.41 0.00 0.00 41.25 40.06 2fkh s ASN 185 CO 0.08 0.15 0.07 0.00 -1.51 0.00 0.00 177.10 175.89 2fkh s ALA 186 N 0.52 0.34 0.05 0.60 0.00 -1.26 -2.03 121.76 119.98 2fkh s ALA 186 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.02 2fkh s ALA 186 Cb -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 2fkh s ALA 186 CO 0.02 -0.78 -0.26 -0.98 0.00 0.00 0.00 175.76 173.75 2fkh s ARG 187 N 2.15 1.74 0.04 0.00 1.70 -1.09 -5.00 118.95 118.49 2fkh s ARG 187 Ca 0.04 -1.12 0.08 0.00 -0.47 0.00 0.00 55.73 54.26 2fkh s ARG 187 Cb -0.14 -1.94 -0.03 0.00 -0.57 0.00 0.00 34.95 32.28 2fkh s ARG 187 CO -0.06 0.50 -0.24 -1.58 -1.08 0.00 0.00 175.30 172.84 2fkh s TRP 188 N -0.83 2.11 -0.01 5.89 0.51 -1.26 -2.35 118.94 123.00 2fkh s TRP 188 Ca 0.12 -0.40 0.03 0.00 -2.12 0.00 0.00 56.10 53.73 2fkh s TRP 188 Cb -0.10 -1.27 -0.00 0.00 -0.81 0.00 0.00 33.47 31.29 2fkh s TRP 188 CO 0.02 0.11 -0.10 -1.50 -0.51 0.00 0.00 176.95 174.97 2fkh s ILE 189 N -0.79 0.82 -0.14 2.03 1.10 -0.60 -4.99 121.20 118.64 2fkh s ILE 189 Ca 0.10 -0.43 0.00 0.00 -0.51 0.00 0.00 60.65 59.81 2fkh s ILE 189 Cb -0.09 -0.70 0.02 0.00 0.15 0.00 0.00 42.46 41.84 2fkh s ILE 189 CO 0.02 0.24 -0.13 -0.22 -2.11 0.00 0.00 174.94 172.73 2fkh s LEU 190 N -0.12 1.63 0.03 8.50 2.96 -1.26 -1.11 118.68 129.30 2fkh s LEU 190 Ca 0.02 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 2fkh s LEU 190 Cb -0.05 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 2fkh s LEU 190 CO -0.00 -0.06 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.72 2fkh s ARG 191 N 1.50 0.82 0.27 1.98 1.81 -0.81 -4.99 118.95 119.52 2fkh s ARG 191 Ca 0.05 -0.64 -0.29 0.00 -1.72 0.00 0.00 55.73 53.12 2fkh s ARG 191 Cb -0.13 -0.78 -0.09 0.00 -0.45 0.00 0.00 34.95 33.50 2fkh s ARG 191 CO -0.10 0.20 1.17 1.21 -0.68 0.00 0.00 175.30 177.09 2fkh s ASN 192 N -0.95 7.12 0.62 0.23 3.84 -1.26 -1.12 114.94 123.41 2fkh s ASN 192 Ca 0.00 2.35 0.25 0.00 0.21 0.00 0.00 52.86 55.68 2fkh s ASN 192 Cb -0.07 -2.63 1.19 0.00 -0.55 0.00 0.00 41.25 39.20 2fkh s ASN 192 CO 0.01 -0.28 1.64 -0.29 -2.79 0.00 0.00 177.10 175.38 2fkh h ILE 193 N 3.24 0.15 -0.17 -5.21 6.09 -0.46 0.25 117.51 121.41 2fkh h ILE 193 Ca -0.47 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 62.88 2fkh h ILE 193 Cb 1.22 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.89 2fkh h ILE 193 CO 0.68 0.00 -0.51 0.78 -3.07 0.00 0.00 178.15 176.04 2fkh h ASN 194 N 0.00 0.50 0.81 2.19 2.35 -1.90 -0.98 115.58 118.55 2fkh h ASN 194 Ca 0.22 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2fkh h ASN 194 Cb 1.65 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.87 2fkh h ASN 194 CO -0.00 0.92 -0.05 -0.62 -1.65 0.00 0.00 177.43 176.04 2fkh n GLU 195 N -3.97 0.16 -0.02 0.81 1.02 0.87 -1.94 120.64 117.58 2fkh n GLU 195 Ca -0.02 -0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 56.92 2fkh n GLU 195 Cb 0.57 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.35 2fkh n GLU 195 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2fkh n VAL 196 N -1.41 1.70 -0.10 2.62 0.31 -0.97 -3.16 118.33 117.32 2fkh n VAL 196 Ca 0.09 -0.69 -0.12 0.00 -0.01 0.00 0.00 64.34 63.62 2fkh n VAL 196 Cb 0.31 -1.50 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 2fkh n VAL 196 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2fkh h LEU 197 N 0.05 0.66 -0.59 7.52 3.38 -1.14 -0.61 115.31 124.57 2fkh h LEU 197 Ca -0.42 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.21 2fkh h LEU 197 Cb 2.02 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.53 2fkh h LEU 197 CO 0.06 0.93 0.25 -0.61 0.09 0.00 0.00 178.44 179.16 2fkh h GLN 198 N 0.38 0.44 0.42 1.13 5.75 -1.53 0.11 115.11 121.81 2fkh h GLN 198 Ca 0.06 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2fkh h GLN 198 Cb 0.70 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.15 2fkh h GLN 198 CO 0.05 0.29 -0.20 1.25 -2.65 0.00 0.00 178.83 177.56 2fkh h HIS 199 N 0.45 -0.53 0.00 3.99 2.76 -1.47 -3.29 115.15 117.06 2fkh h HIS 199 Ca 0.29 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2fkh h HIS 199 Cb 0.31 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.44 2fkh h HIS 199 CO -0.14 -0.26 0.00 1.88 -1.30 0.00 0.00 177.93 178.10 2fkh h TYR 200 N -1.10 0.00 -0.32 5.26 0.05 -1.10 -2.35 116.97 117.42 2fkh h TYR 200 Ca -0.06 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.68 2fkh h TYR 200 Cb 0.50 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 2fkh h TYR 200 CO 0.01 0.00 0.06 0.41 -1.05 0.00 0.00 178.16 177.59 2fkh n GLY 201 N -0.12 2.40 3.75 3.88 0.00 0.37 -1.54 105.19 113.93 2fkh n GLY 201 Ca 0.01 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 2fkh n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fkh s SER 202 N -0.32 5.26 0.00 1.61 0.01 -0.89 -4.91 113.70 114.46 2fkh s SER 202 Ca 0.27 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2fkh s SER 202 Cb 0.21 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2fkh s SER 202 CO 0.07 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2fkh n GLY 203 N -0.11 -1.12 0.00 3.44 0.00 -1.26 -2.29 105.19 103.84 2fkh n GLY 203 Ca -0.09 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2fkh n GLY 203 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fkh n ASP 204 N 0.00 1.49 -3.83 1.61 5.68 -1.26 -4.80 116.55 115.44 2fkh n ASP 204 Ca 0.00 -0.97 -0.30 0.00 -0.50 0.00 0.00 54.79 53.02 2fkh n ASP 204 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 2fkh n ASP 204 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2fkh s ILE 205 N -0.44 1.61 0.24 2.12 1.01 -1.26 -0.09 121.20 124.39 2fkh s ILE 205 Ca 0.00 -2.22 0.01 0.00 0.00 0.00 0.00 60.65 58.45 2fkh s ILE 205 Cb 0.00 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 2fkh s ILE 205 CO 0.00 -0.73 0.09 -0.94 0.00 0.00 0.00 174.94 173.35 2fkh s SER 206 N 0.83 1.11 0.75 3.58 1.04 -0.98 -4.98 113.70 115.06 2fkh s SER 206 Ca 0.13 -1.36 -0.11 0.00 0.48 0.00 0.00 55.95 55.10 2fkh s SER 206 Cb -0.21 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.13 2fkh s SER 206 CO -0.10 -0.72 1.08 -0.76 0.98 0.00 0.00 173.24 173.72 2fkh s LEU 207 N -3.28 3.03 0.50 2.42 1.02 -1.26 -0.30 118.68 120.80 2fkh s LEU 207 Ca 0.36 1.74 0.08 0.00 0.02 0.00 0.00 54.13 56.33 2fkh s LEU 207 Cb 0.08 -4.48 0.05 0.00 0.02 0.00 0.00 46.19 41.85 2fkh s LEU 207 CO 0.12 -1.88 0.69 -0.94 0.02 0.00 0.00 176.35 174.37 2fkh s SER 208 N -3.53 5.36 0.15 2.29 1.04 0.60 -4.56 113.70 115.05 2fkh s SER 208 Ca 0.60 -0.58 -0.30 0.00 0.48 0.00 0.00 55.95 56.15 2fkh s SER 208 Cb -0.16 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.67 2fkh s SER 208 CO 0.56 -1.07 1.55 -0.65 0.98 0.00 0.00 173.24 174.61 2fkh h PRO 209 N 0.38 -0.18 -0.14 4.02 0.11 -1.96 -2.75 132.00 131.48 2fkh h PRO 209 Ca -0.36 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2fkh h PRO 209 Cb 1.28 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2fkh h PRO 209 CO 0.43 -0.12 0.00 0.54 -0.21 0.00 0.00 178.00 178.64 2fkh n ARG 210 N -5.33 1.69 0.00 1.05 1.74 -1.26 -4.92 116.66 109.63 2fkh n ARG 210 Ca 0.00 -1.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 2fkh n ARG 210 Cb 0.31 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2fkh n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2fkh n GLY 211 N 1.12 1.74 2.57 -0.13 0.00 -1.03 -4.93 105.19 104.53 2fkh n GLY 211 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2fkh n GLY 211 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2fkh n SER 212 N 0.00 2.81 -4.69 1.61 7.64 -1.26 -1.21 113.62 118.52 2fkh n SER 212 Ca 0.00 -2.50 -0.35 0.00 1.01 0.00 0.00 58.87 57.03 2fkh n SER 212 Cb 0.00 0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.30 2fkh n SER 212 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2fkh s ILE 213 N -2.19 4.93 -0.58 0.44 1.01 -1.03 0.22 121.20 124.00 2fkh s ILE 213 Ca 0.05 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 2fkh s ILE 213 Cb -0.00 -3.20 0.13 0.00 0.01 0.00 0.00 42.46 39.40 2fkh s ILE 213 CO 0.03 0.50 0.59 0.20 0.00 0.00 0.00 174.94 176.26 2fkh s ASN 214 N -0.01 6.23 -0.98 3.58 0.01 0.59 -1.40 114.94 122.96 2fkh s ASN 214 Ca 0.07 -1.75 -0.15 0.00 -0.71 0.00 0.00 52.86 50.31 2fkh s ASN 214 Cb -0.12 -2.24 0.18 0.00 0.41 0.00 0.00 41.25 39.48 2fkh s ASN 214 CO 0.01 -0.92 1.09 0.12 -1.51 0.00 0.00 177.10 175.89 2fkh s PHE 215 N 1.83 3.53 0.00 2.20 5.36 0.23 -2.31 117.98 128.81 2fkh s PHE 215 Ca 0.07 -1.88 0.00 0.00 -0.96 0.00 0.00 56.93 54.16 2fkh s PHE 215 Cb -0.27 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.31 2fkh s PHE 215 CO 0.03 -1.26 0.00 0.41 -1.46 0.00 0.00 175.22 172.93 2fkh n GLY 216 N 4.43 3.06 1.82 13.12 0.00 0.87 -0.58 105.19 127.91 2fkh n GLY 216 Ca 0.24 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 2fkh n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fkh n ARG 217 N 13.42 2.88 -4.39 1.61 1.74 -0.59 -4.60 116.66 126.74 2fkh n ARG 217 Ca 0.00 -3.07 -0.27 0.00 -0.77 0.00 0.00 57.85 53.74 2fkh n ARG 217 Cb 0.00 -2.10 -0.12 0.00 -1.02 0.00 0.00 32.46 29.21 2fkh n ARG 217 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2fkh s VAL 218 N -3.12 2.22 -0.07 1.55 1.01 0.25 -4.64 120.40 117.61 2fkh s VAL 218 Ca 0.53 -1.86 0.02 0.00 0.00 0.00 0.00 61.98 60.67 2fkh s VAL 218 Cb 0.44 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2fkh s VAL 218 CO 0.10 -0.03 -0.12 -0.89 0.00 0.00 0.00 175.10 174.15 2fkh s THR 219 N -1.38 3.23 -0.20 3.92 2.01 0.37 0.75 115.64 124.34 2fkh s THR 219 Ca 0.16 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 2fkh s THR 219 Cb -0.09 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.14 2fkh s THR 219 CO 0.07 0.58 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.82 2fkh s ILE 220 N -0.58 2.48 0.34 1.82 1.01 -0.49 -0.58 121.20 125.19 2fkh s ILE 220 Ca 0.08 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.89 2fkh s ILE 220 Cb -0.11 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 2fkh s ILE 220 CO 0.01 0.43 0.21 0.00 0.00 0.00 0.00 174.94 175.60 2fkh s GLN 221 N 1.33 1.73 0.08 2.79 -2.07 -0.32 -2.48 119.66 120.72 2fkh s GLN 221 Ca 0.04 -2.01 -0.28 0.00 -1.82 0.00 0.00 55.36 51.28 2fkh s GLN 221 Cb -0.14 0.02 -0.06 0.00 -1.09 0.00 0.00 33.01 31.74 2fkh s GLN 221 CO -0.09 -0.56 0.89 0.50 -1.32 0.00 0.00 175.29 174.72 2fkh s ARG 222 N -3.63 4.62 0.13 9.60 3.52 -1.26 -1.56 118.95 130.37 2fkh s ARG 222 Ca 0.35 1.31 -0.33 0.00 -0.13 0.00 0.00 55.73 56.94 2fkh s ARG 222 Cb 0.03 -3.37 -0.11 0.00 -1.56 0.00 0.00 34.95 29.94 2fkh s ARG 222 CO 0.21 0.23 1.55 -0.22 -0.81 0.00 0.00 175.30 176.27 2fkh h LYS 223 N 5.63 -0.46 0.00 5.12 1.63 -1.06 -3.45 116.57 123.98 2fkh h LYS 223 Ca -0.43 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2fkh h LYS 223 Cb 1.21 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2fkh h LYS 223 CO 0.72 -0.31 0.00 0.41 -3.45 0.00 0.00 179.45 176.82 2fkh n GLY 224 N -1.41 -0.87 7.00 5.01 0.00 -0.09 -4.92 105.19 109.91 2fkh n GLY 224 Ca -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2fkh n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fkh n GLY 225 N 0.00 2.16 3.48 -0.02 0.00 -1.26 -4.56 105.19 105.00 2fkh n GLY 225 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 2fkh n GLY 225 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fkh n ASP 226 N 0.93 -4.76 -1.68 1.61 8.00 -1.26 -2.39 116.55 117.01 2fkh n ASP 226 Ca 0.00 -0.50 -0.04 0.00 0.71 0.00 0.00 54.79 54.96 2fkh n ASP 226 Cb 0.00 -3.85 -0.01 0.00 -0.02 0.00 0.00 41.12 37.24 2fkh n ASP 226 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2fkh n ASN 227 N -2.55 -1.34 0.00 -2.24 2.85 -1.26 -0.54 115.26 110.18 2fkh n ASN 227 Ca -0.02 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 2fkh n ASN 227 Cb 0.55 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.14 2fkh n ASN 227 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2fkh n GLY 228 N -0.29 0.53 3.71 8.20 0.00 -1.00 -5.07 105.19 111.27 2fkh n GLY 228 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2fkh n GLY 228 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fkh s ARG 229 N -0.84 1.90 0.54 1.61 0.52 0.30 -4.85 118.95 118.13 2fkh s ARG 229 Ca 0.00 1.81 0.34 0.00 -0.52 0.00 0.00 55.73 57.35 2fkh s ARG 229 Cb 0.00 -1.80 1.51 0.00 0.52 0.00 0.00 34.95 35.18 2fkh s ARG 229 CO 0.00 -2.03 1.85 1.49 0.02 0.00 0.00 175.30 176.63 2fkh h GLU 230 N -0.53 0.00 -0.14 3.54 4.57 -1.97 -1.31 114.58 118.74 2fkh h GLU 230 Ca -0.47 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.75 2fkh h GLU 230 Cb 1.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 2fkh h GLU 230 CO 0.48 0.00 0.22 0.00 -1.18 0.00 0.00 179.01 178.54 2fkh h THR 231 N 0.00 0.29 0.00 0.32 1.03 -1.93 -1.83 112.91 110.78 2fkh h THR 231 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.88 2fkh h THR 231 Cb 1.93 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 2fkh h THR 231 CO -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.50 2fkh n ALA 232 N -2.20 1.84 -0.84 0.00 0.00 -0.49 -2.56 120.51 116.25 2fkh n ALA 232 Ca 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 2fkh n ALA 232 Cb 0.33 -1.23 0.21 0.00 0.00 0.00 0.00 19.45 18.76 2fkh n ALA 232 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2fkh n ASN 233 N -1.24 4.08 -4.97 0.00 3.02 -0.69 -0.91 115.26 114.56 2fkh n ASN 233 Ca 0.07 -3.22 -0.21 0.00 -0.03 0.00 0.00 54.58 51.19 2fkh n ASN 233 Cb 0.10 -0.76 -0.00 0.00 -0.61 0.00 0.00 39.78 38.51 2fkh n ASN 233 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2fkh s MET 234 N -2.76 3.24 -0.12 3.52 -1.94 -1.06 -4.21 119.30 115.97 2fkh s MET 234 Ca 0.49 -0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 53.57 2fkh s MET 234 Cb 0.40 -2.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 2fkh s MET 234 CO 0.11 0.07 0.48 -1.17 -0.01 0.00 0.00 175.02 174.50 2fkh s LEU 235 N -4.25 4.27 -0.04 -0.03 2.96 -0.40 -0.82 118.68 120.37 2fkh s LEU 235 Ca 0.43 0.81 0.05 0.00 -0.22 0.00 0.00 54.13 55.20 2fkh s LEU 235 Cb -0.10 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 2fkh s LEU 235 CO 0.33 -0.01 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.57 2fkh s GLN 236 N 0.67 1.99 -0.16 1.98 0.74 -0.60 -2.69 119.66 121.59 2fkh s GLN 236 Ca 0.26 -0.73 -0.04 0.00 0.05 0.00 0.00 55.36 54.90 2fkh s GLN 236 Cb -0.15 -1.75 -0.03 0.00 1.10 0.00 0.00 33.01 32.18 2fkh s GLN 236 CO 0.10 0.33 -0.02 -0.06 -0.55 0.00 0.00 175.29 175.09 2fkh s PHE 237 N -0.13 3.05 0.21 1.67 0.40 -0.51 -1.17 117.98 121.49 2fkh s PHE 237 Ca -0.01 -0.26 0.09 0.00 -0.60 0.00 0.00 56.93 56.15 2fkh s PHE 237 Cb -0.11 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 2fkh s PHE 237 CO 0.02 -0.02 -0.18 0.15 0.70 0.00 0.00 175.22 175.89 2fkh s LYS 238 N 0.39 1.41 0.31 0.44 1.02 0.25 -0.30 119.74 123.26 2fkh s LYS 238 Ca -0.03 -1.56 0.01 0.00 0.02 0.00 0.00 55.97 54.41 2fkh s LYS 238 Cb -0.14 -1.40 -0.02 0.00 -0.52 0.00 0.00 37.83 35.75 2fkh s LYS 238 CO 0.03 0.27 0.34 0.96 -0.92 0.00 0.00 175.35 176.02 2fkh s ILE 239 N -2.44 0.00 -0.56 2.17 -4.36 -0.20 -0.48 121.20 115.33 2fkh s ILE 239 Ca 0.22 -1.81 -0.00 0.00 -0.26 0.00 0.00 60.65 58.79 2fkh s ILE 239 Cb -0.04 -2.54 0.14 0.00 1.25 0.00 0.00 42.46 41.28 2fkh s ILE 239 CO 0.09 0.00 0.35 -0.62 0.24 0.00 0.00 174.94 174.99 2fkh s ASP 240 N -3.27 4.94 0.32 4.36 2.15 -1.26 -1.58 116.67 122.33 2fkh s ASP 240 Ca 0.36 -2.79 0.09 0.00 0.43 0.00 0.00 52.55 50.64 2fkh s ASP 240 Cb 0.02 -1.78 0.91 0.00 -0.30 0.00 0.00 42.92 41.77 2fkh s ASP 240 CO 0.21 -0.34 1.69 -0.65 -0.17 0.00 0.00 175.17 175.91 2fkh h PRO 241 N 6.99 0.41 -0.66 4.34 0.11 -1.92 -1.27 132.00 140.01 2fkh h PRO 241 Ca -0.05 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.21 2fkh h PRO 241 Cb 0.95 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 2fkh h PRO 241 CO 0.69 0.27 0.46 1.79 -0.21 0.00 0.00 178.00 181.01 2fkh h THR 242 N 0.42 0.73 -0.84 -1.15 1.35 -1.92 0.28 112.91 111.78 2fkh h THR 242 Ca 0.65 -0.05 0.16 0.00 -0.55 0.00 0.00 66.41 66.62 2fkh h THR 242 Cb 1.34 0.57 -0.06 0.00 -1.73 0.00 0.00 68.15 68.27 2fkh h THR 242 CO -0.55 0.03 0.55 -0.33 -0.25 0.00 0.00 175.52 174.97 2fkh h GLU 243 N 0.14 0.51 -0.02 4.72 5.08 -1.62 0.16 114.58 123.55 2fkh h GLU 243 Ca 0.32 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2fkh h GLU 243 Cb 1.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2fkh h GLU 243 CO -0.05 0.33 0.00 -0.11 -1.00 0.00 0.00 179.01 178.19 2fkh n LEU 244 N -4.52 0.02 -0.00 1.33 7.94 0.09 -1.52 117.00 120.34 2fkh n LEU 244 Ca 0.17 -0.01 0.05 0.00 -1.11 0.00 0.00 56.01 55.11 2fkh n LEU 244 Cb 0.54 -0.01 -0.13 0.00 0.53 0.00 0.00 43.42 44.35 2fkh n LEU 244 CO 0.31 0.01 -0.65 0.49 -1.11 0.00 0.00 177.39 176.43 2fkh n PHE 245 N -0.41 0.30 -1.22 1.96 3.72 0.56 -4.48 117.46 117.89 2fkh n PHE 245 Ca 0.00 0.09 0.05 0.00 -0.05 0.00 0.00 57.45 57.54 2fkh n PHE 245 Cb 0.01 -0.76 0.20 0.00 -0.94 0.00 0.00 39.48 37.99 2fkh n PHE 245 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2fkh n ASP 246 N -2.51 2.78 -0.57 4.37 8.00 -0.57 -5.12 116.55 122.92 2fkh n ASP 246 Ca -0.10 -3.36 0.14 0.00 0.71 0.00 0.00 54.79 52.17 2fkh n ASP 246 Cb 0.72 -0.54 0.45 0.00 -0.02 0.00 0.00 41.12 41.74 2fkh n ASP 246 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11