#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9k h ILE 5 N 0.00 0.99 0.46 3.15 -2.65 -1.99 -3.30 117.51 114.18 3f9k h ILE 5 Ca 0.00 -2.16 -0.02 0.00 1.03 0.00 0.00 64.86 63.71 3f9k h ILE 5 Cb 0.00 2.32 0.00 0.00 -2.05 0.00 0.00 36.82 37.10 3f9k h ILE 5 CO 0.00 0.52 -0.22 -0.33 0.03 0.00 0.00 178.15 178.15 3f9k h GLU 6 N 0.00 -0.60 -0.79 0.16 4.39 -2.03 0.15 114.58 115.86 3f9k h GLU 6 Ca -0.01 0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.89 3f9k h GLU 6 Cb 1.28 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 30.01 3f9k h GLU 6 CO 0.07 -0.35 0.52 -1.35 -1.16 0.00 0.00 179.01 176.74 3f9k h PRO 7 N -0.73 0.44 -0.01 2.33 0.11 -1.99 -0.95 132.00 131.21 3f9k h PRO 7 Ca -0.06 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.75 3f9k h PRO 7 Cb 0.53 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.56 3f9k h PRO 7 CO 0.10 0.29 -1.03 0.00 -0.21 0.00 0.00 178.00 177.16 3f9k h ALA 8 N 1.63 0.13 -0.79 -0.75 0.00 -1.57 -1.66 119.26 116.25 3f9k h ALA 8 Ca 0.39 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3f9k h ALA 8 Cb 0.86 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3f9k h ALA 8 CO -0.14 0.68 0.41 0.37 0.00 0.00 0.00 179.25 180.57 3f9k h GLN 9 N 0.40 1.11 -0.40 0.00 4.15 -0.15 -1.69 115.11 118.54 3f9k h GLN 9 Ca -0.13 -0.14 -0.16 0.00 0.77 0.00 0.00 58.65 58.99 3f9k h GLN 9 Cb 1.68 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 29.15 3f9k h GLN 9 CO 0.20 0.83 -0.37 1.49 -1.93 0.00 0.00 178.83 179.05 3f9k h GLU 10 N 1.11 0.95 -0.70 1.69 4.81 -1.18 0.49 114.58 121.75 3f9k h GLU 10 Ca 0.28 -0.49 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3f9k h GLU 10 Cb 0.07 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3f9k h GLU 10 CO -0.04 1.15 0.30 1.49 -0.73 0.00 0.00 179.01 181.18 3f9k h GLU 11 N 0.78 1.03 -0.14 1.92 4.57 -1.02 -3.00 114.58 118.71 3f9k h GLU 11 Ca 0.07 -0.17 -0.22 0.00 -1.18 0.00 0.00 59.36 57.86 3f9k h GLU 11 Cb 0.97 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.39 3f9k h GLU 11 CO 0.09 0.84 -0.77 1.25 -1.18 0.00 0.00 179.01 179.25 3f9k h HIS 12 N 0.99 0.98 -0.30 0.92 2.76 -1.04 -1.48 115.15 117.98 3f9k h HIS 12 Ca 0.24 -0.43 0.09 0.00 -2.20 0.00 0.00 60.37 58.06 3f9k h HIS 12 Cb 0.18 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 3f9k h HIS 12 CO 0.01 1.25 0.34 1.49 -1.30 0.00 0.00 177.93 179.73 3f9k h GLU 13 N 0.50 0.00 0.00 5.26 4.81 -0.85 0.26 114.58 124.56 3f9k h GLU 13 Ca -0.05 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.98 3f9k h GLU 13 Cb 1.38 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 3f9k h GLU 13 CO 0.15 0.00 -1.47 1.17 -0.73 0.00 0.00 179.01 178.13 3f9k n LYS 14 N -3.71 0.54 -0.00 1.92 4.81 -1.08 -4.73 118.16 115.91 3f9k n LYS 14 Ca 0.05 0.37 0.06 0.00 -0.87 0.00 0.00 58.31 57.92 3f9k n LYS 14 Cb 0.49 -1.58 -0.09 0.00 0.02 0.00 0.00 35.03 33.87 3f9k n LYS 14 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3f9k n TYR 15 N -4.42 0.00 -2.84 5.64 4.01 -0.58 -4.99 117.16 113.99 3f9k n TYR 15 Ca -0.30 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.29 3f9k n TYR 15 Cb 0.63 -0.22 0.03 0.00 -0.31 0.00 0.00 39.34 39.47 3f9k n TYR 15 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3f9k n HIS 16 N -1.78 -1.42 -1.55 -0.72 8.25 0.89 -4.93 115.22 113.97 3f9k n HIS 16 Ca -0.01 0.40 -0.57 0.00 -0.26 0.00 0.00 57.72 57.28 3f9k n HIS 16 Cb 0.30 -3.42 -0.07 0.00 1.12 0.00 0.00 29.99 27.92 3f9k n HIS 16 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3f9k n SER 17 N -1.18 0.61 -3.84 0.41 7.64 -1.26 -4.94 113.62 111.06 3f9k n SER 17 Ca -0.06 1.15 -0.30 0.00 1.01 0.00 0.00 58.87 60.66 3f9k n SER 17 Cb 0.58 -1.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.02 3f9k n SER 17 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3f9k s ASN 18 N 0.39 0.47 0.08 6.43 2.20 -1.05 -4.65 114.94 118.82 3f9k s ASN 18 Ca 0.90 0.82 -0.30 0.00 -0.94 0.00 0.00 52.86 53.33 3f9k s ASN 18 Cb -1.18 -1.18 -0.16 0.00 -2.00 0.00 0.00 41.25 36.73 3f9k s ASN 18 CO 0.56 -4.42 1.64 0.58 -2.94 0.00 0.00 177.10 172.52 3f9k h VAL 19 N -2.78 0.42 -0.71 3.54 2.07 -1.92 -1.43 116.25 115.44 3f9k h VAL 19 Ca -0.47 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3f9k h VAL 19 Cb 1.31 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3f9k h VAL 19 CO 0.36 0.00 0.47 0.11 0.02 0.00 0.00 177.57 178.53 3f9k h LYS 20 N -0.69 0.83 0.21 1.57 1.57 -1.93 0.04 116.57 118.16 3f9k h LYS 20 Ca -0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3f9k h LYS 20 Cb 0.57 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3f9k h LYS 20 CO 0.04 0.55 -0.10 1.49 -0.57 0.00 0.00 179.45 180.86 3f9k h GLU 21 N 0.86 -0.27 -0.30 3.15 4.57 -1.74 -1.00 114.58 119.85 3f9k h GLU 21 Ca 0.28 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.55 3f9k h GLU 21 Cb 0.07 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 3f9k h GLU 21 CO -0.08 0.05 -0.11 -0.07 -1.18 0.00 0.00 179.01 177.61 3f9k h LEU 22 N -0.60 -0.39 -0.40 1.64 3.38 -0.86 0.32 115.31 118.39 3f9k h LEU 22 Ca -0.03 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3f9k h LEU 22 Cb 0.44 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3f9k h LEU 22 CO 0.05 -0.14 0.14 -1.28 0.09 0.00 0.00 178.44 177.29 3f9k h SER 23 N -0.06 0.14 0.08 -0.43 0.87 -1.01 -1.50 113.55 111.65 3f9k h SER 23 Ca 0.15 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3f9k h SER 23 Cb 0.29 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3f9k h SER 23 CO -0.34 0.12 -0.04 -0.74 -0.53 0.00 0.00 176.83 175.30 3f9k h HIS 24 N 0.30 -0.11 -0.87 2.24 -0.00 -0.66 -1.52 115.15 114.53 3f9k h HIS 24 Ca 0.19 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.55 3f9k h HIS 24 Cb 0.17 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.57 3f9k h HIS 24 CO -0.15 0.30 0.54 -0.22 -0.00 0.00 0.00 177.93 178.40 3f9k h LYS 25 N -0.55 1.17 -0.22 5.26 1.63 -0.27 -3.18 116.57 120.41 3f9k h LYS 25 Ca -0.01 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3f9k h LYS 25 Cb 0.46 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3f9k h LYS 25 CO 0.02 0.81 0.00 1.19 -3.45 0.00 0.00 179.45 178.02 3f9k n PHE 26 N -4.43 0.28 -1.49 1.91 3.72 -0.57 -4.97 117.46 111.90 3f9k n PHE 26 Ca 0.09 -0.24 -0.17 0.00 -0.05 0.00 0.00 57.45 57.08 3f9k n PHE 26 Cb 0.05 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.50 3f9k n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3f9k n GLY 27 N 0.80 1.64 3.78 1.37 0.00 -0.58 -4.95 105.19 107.25 3f9k n GLY 27 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3f9k n GLY 27 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3f9k s ILE 28 N -2.45 4.24 0.71 -0.61 2.07 -1.16 -5.03 121.20 118.96 3f9k s ILE 28 Ca 0.00 1.79 -0.16 0.00 -1.41 0.00 0.00 60.65 60.87 3f9k s ILE 28 Cb 0.00 -4.03 0.00 0.00 0.13 0.00 0.00 42.46 38.57 3f9k s ILE 28 CO 0.00 0.19 1.00 -2.65 -1.91 0.00 0.00 174.94 171.57 3f9k n PRO 29 N 0.68 0.59 -0.19 3.50 -0.02 -1.26 -4.51 135.00 133.79 3f9k n PRO 29 Ca 0.01 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 3f9k n PRO 29 Cb 0.50 -2.25 0.37 0.00 -0.02 0.00 0.00 33.50 32.10 3f9k n PRO 29 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3f9k h ASN 30 N -0.13 0.65 -0.27 2.55 -1.24 -1.96 -2.37 115.58 112.81 3f9k h ASN 30 Ca -0.48 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 56.50 3f9k h ASN 30 Cb 1.34 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 3f9k h ASN 30 CO 0.48 0.40 -0.00 0.25 -1.29 0.00 0.00 177.43 177.27 3f9k h LEU 31 N 0.73 0.46 -1.20 0.34 5.85 -1.99 -1.58 115.31 117.92 3f9k h LEU 31 Ca 0.33 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3f9k h LEU 31 Cb 0.35 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3f9k h LEU 31 CO -0.12 0.66 0.55 0.58 -0.34 0.00 0.00 178.44 179.77 3f9k h VAL 32 N 0.25 1.12 -0.04 1.05 2.07 -1.80 0.83 116.25 119.74 3f9k h VAL 32 Ca 0.08 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3f9k h VAL 32 Cb 0.42 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3f9k h VAL 32 CO 0.01 0.19 0.02 0.00 0.02 0.00 0.00 177.57 177.81 3f9k h ALA 33 N 1.51 0.05 -0.57 1.67 0.00 -1.29 -2.09 119.26 118.55 3f9k h ALA 33 Ca 0.34 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3f9k h ALA 33 Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3f9k h ALA 33 CO -0.10 -0.37 0.37 -0.09 0.00 0.00 0.00 179.25 179.06 3f9k h ARG 34 N -0.09 0.69 -0.51 0.00 2.43 -0.40 -2.19 114.38 114.30 3f9k h ARG 34 Ca 0.01 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 3f9k h ARG 34 Cb 0.16 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3f9k h ARG 34 CO -0.00 0.45 -0.11 1.96 -1.51 0.00 0.00 179.97 180.76 3f9k h GLN 35 N 0.71 0.96 -0.25 0.20 4.20 -0.64 -1.14 115.11 119.15 3f9k h GLN 35 Ca 0.22 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3f9k h GLN 35 Cb 0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3f9k h GLN 35 CO -0.05 1.02 0.17 0.82 -0.67 0.00 0.00 178.83 180.11 3f9k h ILE 36 N 0.86 1.07 -0.38 2.54 2.04 -0.76 -2.24 117.51 120.63 3f9k h ILE 36 Ca 0.13 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 3f9k h ILE 36 Cb 0.66 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3f9k h ILE 36 CO 0.05 0.06 -0.16 0.58 0.00 0.00 0.00 178.15 178.68 3f9k h VAL 37 N 0.34 1.26 -0.24 1.67 2.07 -1.36 -2.38 116.25 117.61 3f9k h VAL 37 Ca 0.09 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3f9k h VAL 37 Cb -0.04 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3f9k h VAL 37 CO -0.02 0.40 0.15 0.78 0.02 0.00 0.00 177.57 178.90 3f9k h ASN 38 N 0.63 0.28 0.35 0.57 2.35 -0.99 -1.86 115.58 116.91 3f9k h ASN 38 Ca 0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3f9k h ASN 38 Cb 0.62 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3f9k h ASN 38 CO 0.04 0.22 -0.10 -1.20 -1.65 0.00 0.00 177.43 174.74 3f9k n SER 39 N -4.49 0.45 -4.61 5.81 7.64 -0.86 -4.81 113.62 112.75 3f9k n SER 39 Ca 0.01 -0.59 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 3f9k n SER 39 Cb 0.08 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 3f9k n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f9k h ALA 41 N 8.09 -0.07 -0.40 0.00 0.00 -1.87 -3.20 119.26 121.80 3f9k h ALA 41 Ca -0.27 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3f9k h ALA 41 Cb 1.12 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3f9k h ALA 41 CO 0.80 -0.56 0.03 1.96 0.00 0.00 0.00 179.25 181.47 3f9k h GLN 42 N -0.12 0.63 0.00 0.00 7.50 -1.93 -2.78 115.11 118.41 3f9k h GLN 42 Ca 0.03 -0.14 0.00 0.00 0.50 0.00 0.00 58.65 59.04 3f9k h GLN 42 Cb 0.15 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.59 3f9k h GLN 42 CO -0.07 0.63 0.00 0.00 -1.50 0.00 0.00 178.83 177.89 3f9k s GLN 44 N -3.23 4.05 -1.48 0.00 1.11 -1.05 -3.25 119.66 115.80 3f9k s GLN 44 Ca 0.07 2.25 -0.11 0.00 0.01 0.00 0.00 55.36 57.57 3f9k s GLN 44 Cb 0.10 -2.85 0.06 0.00 -1.01 0.00 0.00 33.01 29.32 3f9k s GLN 44 CO 0.46 -0.46 0.93 1.04 0.01 0.00 0.00 175.29 177.27 3f9k n GLN 45 N 0.29 -5.71 -4.28 2.91 6.02 -1.26 -5.01 117.38 110.35 3f9k n GLN 45 Ca 0.03 0.67 -0.17 0.00 -0.01 0.00 0.00 57.00 57.51 3f9k n GLN 45 Cb 0.42 -5.57 -0.14 0.00 1.02 0.00 0.00 30.24 25.97 3f9k n GLN 45 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3f9k s LYS 46 N -6.39 0.62 0.45 -1.09 1.02 -1.20 -5.16 119.74 107.99 3f9k s LYS 46 Ca 0.58 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 56.21 3f9k s LYS 46 Cb -0.28 -0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 36.40 3f9k s LYS 46 CO 0.72 0.16 0.73 0.20 -0.92 0.00 0.00 175.35 176.24 3f9k s GLY 47 N -0.31 1.46 0.57 -3.33 0.00 -1.26 -5.07 107.32 99.37 3f9k s GLY 47 Ca 0.02 -0.61 -0.16 0.00 0.00 0.00 0.00 44.72 43.97 3f9k s GLY 47 CO -0.00 -0.47 1.04 -0.54 0.00 0.00 0.00 173.10 173.13 3f9k s GLU 48 N -4.65 3.52 0.91 2.90 0.41 -1.26 -5.06 118.70 115.47 3f9k s GLU 48 Ca 0.46 1.14 -0.13 0.00 -0.41 0.00 0.00 54.97 56.03 3f9k s GLU 48 Cb -0.10 -2.06 0.21 0.00 -1.78 0.00 0.00 34.13 30.39 3f9k s GLU 48 CO 0.43 -0.64 1.24 0.00 -0.49 0.00 0.00 175.26 175.80 3f9k n ALA 49 N -1.85 -1.17 -2.84 5.21 0.00 -1.26 -5.08 120.51 113.52 3f9k n ALA 49 Ca 0.08 -1.75 -0.27 0.00 0.00 0.00 0.00 53.44 51.50 3f9k n ALA 49 Cb 0.53 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3f9k n ALA 49 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3f9k s ILE 50 N -3.70 5.26 0.00 0.00 -4.36 -1.26 -5.07 121.20 112.07 3f9k s ILE 50 Ca 0.72 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 60.64 3f9k s ILE 50 Cb -0.02 -3.73 0.00 0.00 1.25 0.00 0.00 42.46 39.96 3f9k s ILE 50 CO 0.50 -0.13 0.00 1.41 0.24 0.00 0.00 174.94 176.97 3f9k n HIS 51 N -0.56 0.00 -3.91 1.37 8.25 -1.26 -4.79 115.22 114.31 3f9k n HIS 51 Ca -0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.13 3f9k n HIS 51 Cb 0.54 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.48 3f9k n HIS 51 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3f9k s GLY 52 N -1.65 0.92 -1.28 -1.41 0.00 -1.26 -2.14 107.32 100.50 3f9k s GLY 52 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 44.72 43.87 3f9k s GLY 52 CO 0.00 0.83 1.72 -1.06 0.00 0.00 0.00 173.10 174.60 3f9k n GLN 53 N 4.89 3.38 -0.74 2.90 6.02 -1.24 -4.89 117.38 127.70 3f9k n GLN 53 Ca -0.13 -3.52 -0.13 0.00 -0.01 0.00 0.00 57.00 53.22 3f9k n GLN 53 Cb 0.49 -3.09 -0.09 0.00 1.02 0.00 0.00 30.24 28.56 3f9k n GLN 53 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3f9k n VAL 54 N 4.45 2.28 -0.16 5.09 0.24 -1.25 -1.79 118.33 127.18 3f9k n VAL 54 Ca 0.41 -1.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 3f9k n VAL 54 Cb 0.40 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 30.83 3f9k n VAL 54 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3f9k n ASN 55 N 2.97 0.00 -4.84 -1.34 5.03 -1.26 -5.09 115.26 110.73 3f9k n ASN 55 Ca 0.35 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.49 3f9k n ASN 55 Cb 0.52 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.31 3f9k n ASN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3f9k s ALA 56 N 0.00 2.86 0.52 5.41 0.00 -0.74 -5.05 121.76 124.77 3f9k s ALA 56 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 3f9k s ALA 56 Cb 0.00 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 3f9k s ALA 56 CO 0.00 -0.90 1.02 -1.21 0.00 0.00 0.00 175.76 174.67 3f9k s GLU 57 N -4.87 3.75 0.58 0.00 2.02 -1.26 -4.79 118.70 114.13 3f9k s GLU 57 Ca 0.58 1.15 0.28 0.00 0.02 0.00 0.00 54.97 56.99 3f9k s GLU 57 Cb -0.13 -2.10 1.61 0.00 0.10 0.00 0.00 34.13 33.61 3f9k s GLU 57 CO 0.50 -0.45 2.08 1.25 0.02 0.00 0.00 175.26 178.66 3f9k h LEU 58 N 1.03 0.00 -2.83 1.80 5.85 -1.97 -2.21 115.31 116.97 3f9k h LEU 58 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3f9k h LEU 58 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3f9k h LEU 58 CO 0.60 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.31 3f9k n GLY 59 N -1.43 2.47 3.61 3.75 0.00 -1.26 -4.91 105.19 107.41 3f9k n GLY 59 Ca 0.02 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 3f9k n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f9k s THR 60 N -1.59 5.03 0.08 2.61 2.01 -0.83 0.03 115.64 122.97 3f9k s THR 60 Ca 0.48 0.82 0.07 0.00 0.31 0.00 0.00 61.69 63.38 3f9k s THR 60 Cb 0.29 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 3f9k s THR 60 CO 0.26 -0.01 -0.20 0.26 -0.69 0.00 0.00 174.62 174.24 3f9k s TRP 61 N 2.41 1.70 0.05 4.92 0.52 -0.13 -2.20 118.94 126.21 3f9k s TRP 61 Ca 0.22 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 56.03 3f9k s TRP 61 Cb -0.15 -0.97 -0.03 0.00 -1.15 0.00 0.00 33.47 31.17 3f9k s TRP 61 CO 0.10 0.14 -0.25 -0.65 0.02 0.00 0.00 176.95 176.32 3f9k s GLN 62 N -1.59 1.66 0.01 4.98 -0.21 -0.47 -1.61 119.66 122.44 3f9k s GLN 62 Ca 0.06 -1.07 0.03 0.00 0.02 0.00 0.00 55.36 54.40 3f9k s GLN 62 Cb -0.09 -1.83 -0.01 0.00 1.00 0.00 0.00 33.01 32.07 3f9k s GLN 62 CO 0.03 0.47 -0.10 1.41 -2.12 0.00 0.00 175.29 174.98 3f9k s MET 63 N -1.26 0.75 0.31 2.91 1.75 -1.08 -0.36 119.30 122.33 3f9k s MET 63 Ca 0.11 -0.50 -0.15 0.00 -1.25 0.00 0.00 55.69 53.89 3f9k s MET 63 Cb -0.10 -0.71 0.02 0.00 2.84 0.00 0.00 34.83 36.89 3f9k s MET 63 CO 0.02 0.18 0.66 0.34 -0.65 0.00 0.00 175.02 175.57 3f9k s ASP 64 N -0.65 -0.01 -0.04 1.11 2.15 0.13 -4.45 116.67 114.92 3f9k s ASP 64 Ca 0.01 -0.94 0.07 0.00 0.43 0.00 0.00 52.55 52.12 3f9k s ASP 64 Cb -0.06 0.73 -0.02 0.00 -0.30 0.00 0.00 42.92 43.28 3f9k s ASP 64 CO 0.00 -1.40 -0.25 0.00 -0.17 0.00 0.00 175.17 173.36 3f9k s THR 66 N -0.39 1.27 0.07 0.00 -1.32 0.07 -5.00 115.64 110.33 3f9k s THR 66 Ca 0.04 -2.09 0.09 0.00 -1.21 0.00 0.00 61.69 58.52 3f9k s THR 66 Cb -0.11 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 68.96 3f9k s THR 66 CO 0.01 -0.72 -0.26 -1.00 -2.21 0.00 0.00 174.62 170.44 3f9k s HIS 67 N -3.27 2.25 -0.22 9.09 3.76 -1.26 -0.39 115.29 125.25 3f9k s HIS 67 Ca 0.18 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.60 3f9k s HIS 67 Cb 0.02 -1.31 0.09 0.00 1.11 0.00 0.00 32.58 32.49 3f9k s HIS 67 CO 0.02 0.17 0.49 -1.17 -0.85 0.00 0.00 174.74 173.40 3f9k s LEU 68 N -1.44 -0.68 -1.47 0.89 0.20 -0.47 -4.93 118.68 110.78 3f9k s LEU 68 Ca 0.12 1.14 -0.05 0.00 0.69 0.00 0.00 54.13 56.02 3f9k s LEU 68 Cb -0.10 1.63 0.04 0.00 -0.43 0.00 0.00 46.19 47.33 3f9k s LEU 68 CO 0.03 -0.22 0.58 -0.62 -0.29 0.00 0.00 176.35 175.83 3f9k n GLU 69 N 5.14 -3.70 -1.09 1.98 1.02 -1.26 -0.65 120.64 122.09 3f9k n GLU 69 Ca -0.12 0.44 -0.03 0.00 -0.02 0.00 0.00 57.16 57.43 3f9k n GLU 69 Cb 0.51 -4.82 -0.01 0.00 -0.02 0.00 0.00 31.44 27.10 3f9k n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f9k n GLY 70 N -1.80 0.45 3.74 0.62 0.00 -1.26 -4.99 105.19 101.95 3f9k n GLY 70 Ca -0.20 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 3f9k n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f9k s LYS 71 N -1.73 2.83 -0.29 1.61 3.01 0.18 -5.10 119.74 120.25 3f9k s LYS 71 Ca 0.00 -0.66 -0.13 0.00 -1.01 0.00 0.00 55.97 54.17 3f9k s LYS 71 Cb 0.00 -2.70 -0.04 0.00 -1.01 0.00 0.00 37.83 34.08 3f9k s LYS 71 CO 0.00 0.59 0.29 0.42 0.51 0.00 0.00 175.35 177.16 3f9k s ILE 72 N -1.26 5.23 -0.22 2.17 1.01 -1.26 -1.36 121.20 125.51 3f9k s ILE 72 Ca 0.25 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 61.14 3f9k s ILE 72 Cb -0.12 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3f9k s ILE 72 CO 0.17 0.15 0.02 -0.63 0.00 0.00 0.00 174.94 174.65 3f9k s ILE 73 N 1.92 3.99 -0.05 2.92 1.01 0.48 -0.81 121.20 130.66 3f9k s ILE 73 Ca 0.11 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 3f9k s ILE 73 Cb -0.16 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 3f9k s ILE 73 CO 0.11 0.40 0.34 -0.51 0.00 0.00 0.00 174.94 175.28 3f9k s ILE 74 N 1.24 5.17 -0.02 2.92 2.07 0.44 -0.75 121.20 132.26 3f9k s ILE 74 Ca 0.04 0.68 0.03 0.00 -1.41 0.00 0.00 60.65 59.99 3f9k s ILE 74 Cb -0.15 -3.64 0.00 0.00 0.13 0.00 0.00 42.46 38.80 3f9k s ILE 74 CO 0.02 0.55 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.82 3f9k s VAL 75 N -0.81 0.78 -0.05 4.00 1.01 0.52 -1.81 120.40 124.05 3f9k s VAL 75 Ca 0.21 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3f9k s VAL 75 Cb -0.15 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.54 3f9k s VAL 75 CO 0.10 0.24 -0.12 0.00 0.00 0.00 0.00 175.10 175.33 3f9k s ALA 76 N 0.15 1.16 -0.11 5.51 0.00 0.69 -0.70 121.76 128.46 3f9k s ALA 76 Ca -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3f9k s ALA 76 Cb -0.08 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 3f9k s ALA 76 CO 0.00 0.14 -0.21 0.08 0.00 0.00 0.00 175.76 175.78 3f9k s VAL 77 N 0.43 2.30 -0.65 0.00 1.01 0.52 -0.81 120.40 123.21 3f9k s VAL 77 Ca -0.09 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3f9k s VAL 77 Cb -0.13 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.37 3f9k s VAL 77 CO 0.02 0.55 1.26 -2.28 0.00 0.00 0.00 175.10 174.65 3f9k s HIS 78 N 0.41 2.42 0.21 5.22 2.46 0.28 -1.37 115.29 124.93 3f9k s HIS 78 Ca -0.15 0.22 -0.09 0.00 0.47 0.00 0.00 55.06 55.51 3f9k s HIS 78 Cb -0.17 -4.55 0.32 0.00 -0.13 0.00 0.00 32.58 28.04 3f9k s HIS 78 CO 0.07 -1.85 1.72 0.28 -2.47 0.00 0.00 174.74 172.49 3f9k h VAL 79 N 6.13 0.67 0.00 0.89 2.07 -1.75 0.14 116.25 124.40 3f9k h VAL 79 Ca -0.26 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3f9k h VAL 79 Cb 1.06 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3f9k h VAL 79 CO 1.23 0.06 -0.14 0.00 0.02 0.00 0.00 177.57 178.74 3f9k h ALA 80 N 1.48 1.34 0.00 1.67 0.00 -1.78 -3.30 119.26 118.67 3f9k h ALA 80 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3f9k h ALA 80 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3f9k h ALA 80 CO -0.38 0.18 -0.98 -1.13 0.00 0.00 0.00 179.25 176.93 3f9k n SER 81 N -3.75 4.91 0.00 0.00 3.41 -0.78 -3.79 113.62 113.62 3f9k n SER 81 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3f9k n SER 81 Cb 0.25 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 3f9k n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f9k n GLY 82 N 2.48 0.51 3.75 5.00 0.00 0.44 -4.47 105.19 112.89 3f9k n GLY 82 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3f9k n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f9k s PHE 83 N -2.00 3.17 0.13 1.61 5.36 -1.24 -4.84 117.98 120.17 3f9k s PHE 83 Ca 0.00 1.24 0.08 0.00 -0.96 0.00 0.00 56.93 57.29 3f9k s PHE 83 Cb 0.00 -3.66 -0.04 0.00 -0.34 0.00 0.00 43.02 38.99 3f9k s PHE 83 CO 0.00 -2.00 -0.20 0.96 -1.46 0.00 0.00 175.22 172.52 3f9k s ILE 84 N -0.23 1.77 -0.03 3.12 -4.36 -1.26 -0.56 121.20 119.65 3f9k s ILE 84 Ca 0.55 -1.73 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 3f9k s ILE 84 Cb -0.38 -1.70 -0.00 0.00 1.25 0.00 0.00 42.46 41.62 3f9k s ILE 84 CO 0.43 -0.18 -0.15 -1.61 0.24 0.00 0.00 174.94 173.66 3f9k s GLU 85 N -2.34 1.49 0.03 0.37 0.41 0.01 -4.95 118.70 113.73 3f9k s GLU 85 Ca 0.11 -0.53 -0.14 0.00 -0.41 0.00 0.00 54.97 53.99 3f9k s GLU 85 Cb -0.08 -1.34 0.02 0.00 -1.78 0.00 0.00 34.13 30.95 3f9k s GLU 85 CO 0.05 0.24 0.31 0.00 -0.49 0.00 0.00 175.26 175.38 3f9k s ALA 86 N -0.03 -0.73 -0.12 5.21 0.00 -1.26 -0.22 121.76 124.61 3f9k s ALA 86 Ca -0.01 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 3f9k s ALA 86 Cb -0.10 0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.39 3f9k s ALA 86 CO 0.01 -0.39 0.76 -2.00 0.00 0.00 0.00 175.76 174.14 3f9k s GLU 87 N -2.34 0.91 -0.06 0.00 2.12 -0.75 -4.70 118.70 113.87 3f9k s GLU 87 Ca -0.06 0.37 -0.25 0.00 0.36 0.00 0.00 54.97 55.39 3f9k s GLU 87 Cb -0.02 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 3f9k s GLU 87 CO -0.02 -0.25 0.77 0.08 -0.54 0.00 0.00 175.26 175.30 3f9k s VAL 88 N -0.85 5.00 0.01 3.70 1.01 -1.26 -0.42 120.40 127.58 3f9k s VAL 88 Ca -0.07 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.54 3f9k s VAL 88 Cb -0.01 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3f9k s VAL 88 CO 0.06 0.21 -0.11 0.27 0.00 0.00 0.00 175.10 175.53 3f9k s ILE 89 N 0.99 3.29 0.11 2.22 -4.36 0.01 -4.95 121.20 118.51 3f9k s ILE 89 Ca 0.40 -0.89 -0.25 0.00 -0.26 0.00 0.00 60.65 59.65 3f9k s ILE 89 Cb -0.18 -2.40 -0.08 0.00 1.25 0.00 0.00 42.46 41.05 3f9k s ILE 89 CO 0.19 0.41 1.67 1.55 0.24 0.00 0.00 174.94 179.00 3f9k h PRO 90 N 4.65 -0.29 -5.41 0.37 0.13 -1.98 -3.37 132.00 126.12 3f9k h PRO 90 Ca -0.48 0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 3f9k h PRO 90 Cb 1.16 0.07 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 3f9k h PRO 90 CO 0.51 -0.19 -0.75 -0.65 -0.23 0.00 0.00 178.00 176.69 3f9k s GLN 91 N -6.12 1.04 0.00 0.86 1.11 -1.26 -4.90 119.66 110.38 3f9k s GLN 91 Ca -0.15 -1.27 -0.03 0.00 0.01 0.00 0.00 55.36 53.92 3f9k s GLN 91 Cb 0.08 -0.90 -0.15 0.00 -1.01 0.00 0.00 33.01 31.03 3f9k s GLN 91 CO 0.66 0.17 2.83 -1.91 0.01 0.00 0.00 175.29 177.05 3f9k n GLU 92 N 0.44 1.51 -2.70 2.91 2.13 -1.26 -4.76 120.64 118.92 3f9k n GLU 92 Ca -0.15 -0.57 -0.27 0.00 0.66 0.00 0.00 57.16 56.83 3f9k n GLU 92 Cb 0.57 -1.60 -0.00 0.00 0.27 0.00 0.00 31.44 30.68 3f9k n GLU 92 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3f9k s SER 93 N 2.03 6.28 0.24 4.31 1.04 -1.26 -4.56 113.70 121.78 3f9k s SER 93 Ca 0.38 0.91 -0.07 0.00 0.48 0.00 0.00 55.95 57.65 3f9k s SER 93 Cb 0.18 -2.24 0.28 0.00 0.10 0.00 0.00 66.02 64.35 3f9k s SER 93 CO 0.00 -0.55 1.87 1.23 0.98 0.00 0.00 173.24 176.77 3f9k h GLY 94 N 0.32 1.26 0.87 7.32 0.00 -1.89 -2.48 103.07 108.47 3f9k h GLY 94 Ca -0.47 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 3f9k h GLY 94 CO 0.62 0.33 -0.10 -0.09 0.00 0.00 0.00 176.54 177.29 3f9k h ARG 95 N 1.04 -0.28 -0.84 4.80 2.43 -1.94 -0.72 114.38 118.87 3f9k h ARG 95 Ca 0.35 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.70 3f9k h ARG 95 Cb 0.06 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.57 3f9k h ARG 95 CO -0.13 -0.09 0.39 1.96 -1.51 0.00 0.00 179.97 180.59 3f9k h GLN 96 N -0.43 0.51 0.06 0.20 1.08 -1.83 -0.01 115.11 114.69 3f9k h GLN 96 Ca -0.03 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3f9k h GLN 96 Cb 0.33 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3f9k h GLN 96 CO 0.05 0.34 -0.03 1.15 -0.95 0.00 0.00 178.83 179.39 3f9k h THR 97 N 0.53 1.05 -0.80 -0.54 2.02 -1.29 -2.07 112.91 111.82 3f9k h THR 97 Ca 0.48 -0.37 0.12 0.00 0.77 0.00 0.00 66.41 67.40 3f9k h THR 97 Cb 0.75 1.30 -0.08 0.00 -1.74 0.00 0.00 68.15 68.37 3f9k h THR 97 CO -0.41 0.09 0.42 0.00 0.37 0.00 0.00 175.52 175.98 3f9k h ALA 98 N 0.69 1.16 -0.11 6.16 0.00 -0.03 0.05 119.26 127.18 3f9k h ALA 98 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3f9k h ALA 98 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3f9k h ALA 98 CO 0.01 -0.03 0.07 -0.07 0.00 0.00 0.00 179.25 179.23 3f9k h LEU 99 N 0.65 0.12 -0.51 0.00 -0.00 -0.93 -1.51 115.31 113.14 3f9k h LEU 99 Ca 0.41 -0.02 0.05 0.00 -0.00 0.00 0.00 57.88 58.32 3f9k h LEU 99 Cb 0.50 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.08 3f9k h LEU 99 CO -0.31 0.11 0.25 0.15 -0.00 0.00 0.00 178.44 178.64 3f9k h PHE 100 N 0.13 0.46 -0.41 1.13 3.57 -0.60 -1.43 116.94 119.80 3f9k h PHE 100 Ca 0.04 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3f9k h PHE 100 Cb 0.00 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3f9k h PHE 100 CO -0.07 0.22 0.14 1.25 -2.23 0.00 0.00 178.31 177.62 3f9k h LEU 101 N 0.49 0.15 -1.22 0.59 6.46 -0.85 -1.44 115.31 119.49 3f9k h LEU 101 Ca 0.23 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.04 3f9k h LEU 101 Cb 0.14 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 3f9k h LEU 101 CO -0.16 0.12 0.53 -0.07 -0.62 0.00 0.00 178.44 178.24 3f9k h LEU 102 N 0.30 0.91 0.08 2.25 3.38 -0.50 0.12 115.31 121.86 3f9k h LEU 102 Ca 0.19 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3f9k h LEU 102 Cb 0.17 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3f9k h LEU 102 CO -0.19 0.66 -0.04 0.11 0.09 0.00 0.00 178.44 179.06 3f9k h LYS 103 N 1.07 -0.11 -0.27 1.13 1.57 -0.78 -1.94 116.57 117.25 3f9k h LYS 103 Ca 0.30 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.15 3f9k h LYS 103 Cb -0.10 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 3f9k h LYS 103 CO -0.07 0.03 -0.15 1.25 -0.57 0.00 0.00 179.45 179.93 3f9k h LEU 104 N -0.22 -0.51 -1.33 2.94 5.85 -0.65 -2.05 115.31 119.34 3f9k h LEU 104 Ca -0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3f9k h LEU 104 Cb 0.19 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3f9k h LEU 104 CO 0.02 -0.19 0.00 0.00 -0.34 0.00 0.00 178.44 177.93 3f9k h ALA 105 N 1.06 1.00 -0.00 1.25 0.00 -0.66 -1.87 119.26 120.05 3f9k h ALA 105 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3f9k h ALA 105 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3f9k h ALA 105 CO -0.35 0.00 -0.11 -1.13 0.00 0.00 0.00 179.25 177.66 3f9k n SER 106 N -2.53 0.29 -0.00 0.00 3.41 -0.74 -4.19 113.62 109.85 3f9k n SER 106 Ca 0.00 -0.25 -0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3f9k n SER 106 Cb 0.18 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3f9k n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3f9k n ARG 107 N -1.18 0.01 -4.30 4.33 1.74 -0.80 -5.09 116.66 111.37 3f9k n ARG 107 Ca 0.12 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 3f9k n ARG 107 Cb 0.29 -0.89 -0.11 0.00 -1.02 0.00 0.00 32.46 30.73 3f9k n ARG 107 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3f9k s TRP 108 N -2.01 2.55 0.08 -1.55 0.52 -0.77 -5.10 118.94 112.67 3f9k s TRP 108 Ca -0.01 -0.25 -0.31 0.00 0.02 0.00 0.00 56.10 55.55 3f9k s TRP 108 Cb 0.00 -1.35 -0.08 0.00 -1.15 0.00 0.00 33.47 30.89 3f9k s TRP 108 CO 0.01 0.39 1.44 -1.25 0.02 0.00 0.00 176.95 177.56 3f9k s PRO 109 N -2.15 4.28 -0.15 4.98 0.04 -1.26 -4.52 135.00 136.23 3f9k s PRO 109 Ca 0.18 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.33 3f9k s PRO 109 Cb -0.11 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.09 3f9k s PRO 109 CO 0.10 -0.53 -0.11 0.42 0.04 0.00 0.00 177.00 176.93 3f9k s ILE 110 N 1.66 1.36 -0.27 0.56 1.01 -1.26 -4.57 121.20 119.68 3f9k s ILE 110 Ca 0.66 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 3f9k s ILE 110 Cb -0.36 -1.35 -0.14 0.00 0.01 0.00 0.00 42.46 40.62 3f9k s ILE 110 CO 0.30 0.36 -0.30 0.41 0.00 0.00 0.00 174.94 175.70 3f9k n THR 111 N 4.83 1.51 -3.93 2.92 -1.04 0.10 -4.63 114.28 114.04 3f9k n THR 111 Ca -0.15 -0.47 -0.18 0.00 -2.04 0.00 0.00 64.05 61.22 3f9k n THR 111 Cb 0.49 -1.68 -0.16 0.00 -1.82 0.00 0.00 70.33 67.16 3f9k n THR 111 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3f9k s HIS 112 N -2.51 0.39 -0.18 -1.42 5.65 -0.61 -0.56 115.29 116.06 3f9k s HIS 112 Ca -0.37 -0.03 0.01 0.00 0.25 0.00 0.00 55.06 54.92 3f9k s HIS 112 Cb 0.12 -0.48 0.02 0.00 -1.18 0.00 0.00 32.58 31.06 3f9k s HIS 112 CO 0.54 -0.16 -0.19 -1.17 -0.65 0.00 0.00 174.74 173.11 3f9k s LEU 113 N 1.16 2.07 -0.13 8.88 0.20 0.34 -0.95 118.68 130.24 3f9k s LEU 113 Ca -0.08 -0.63 0.02 0.00 0.69 0.00 0.00 54.13 54.13 3f9k s LEU 113 Cb -0.13 -1.43 0.00 0.00 -0.43 0.00 0.00 46.19 44.20 3f9k s LEU 113 CO -0.02 -0.01 -0.19 -2.28 -0.29 0.00 0.00 176.35 173.55 3f9k s HIS 114 N 1.32 2.69 0.30 5.38 2.46 -0.63 -1.27 115.29 125.54 3f9k s HIS 114 Ca 0.05 -1.07 0.03 0.00 0.47 0.00 0.00 55.06 54.54 3f9k s HIS 114 Cb -0.13 -1.81 -0.04 0.00 -0.13 0.00 0.00 32.58 30.48 3f9k s HIS 114 CO -0.12 -0.46 0.18 0.95 -2.47 0.00 0.00 174.74 172.81 3f9k s THR 115 N 0.60 0.25 0.00 0.89 -4.23 -0.81 -2.64 115.64 109.70 3f9k s THR 115 Ca -0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3f9k s THR 115 Cb -0.16 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3f9k s THR 115 CO 0.03 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.21 3f9k n ASP 116 N -0.99 -0.23 -1.05 3.99 5.68 -1.26 -0.29 116.55 122.39 3f9k n ASP 116 Ca 0.02 -0.62 0.08 0.00 -0.50 0.00 0.00 54.79 53.77 3f9k n ASP 116 Cb 0.65 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.87 3f9k n ASP 116 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3f9k n ASN 117 N -2.22 3.06 -4.53 -1.12 4.13 -1.26 -4.30 115.26 109.03 3f9k n ASN 117 Ca 0.00 -2.08 -0.51 0.00 1.68 0.00 0.00 54.58 53.67 3f9k n ASN 117 Cb 0.00 -0.39 -0.05 0.00 -1.54 0.00 0.00 39.78 37.80 3f9k n ASN 117 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3f9k n GLY 118 N 1.25 -0.38 0.32 7.41 0.00 -1.26 -4.67 105.19 107.86 3f9k n GLY 118 Ca 0.18 0.55 0.18 0.00 0.00 0.00 0.00 46.02 46.93 3f9k n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f9k h ALA 119 N 2.81 1.52 -0.39 4.61 0.00 -1.94 0.76 119.26 126.62 3f9k h ALA 119 Ca -0.42 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3f9k h ALA 119 Cb 1.38 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3f9k h ALA 119 CO 0.66 -0.55 0.03 -2.95 0.00 0.00 0.00 179.25 176.44 3f9k h ASN 120 N 0.19 0.57 0.60 0.00 -1.07 -1.88 -1.32 115.58 112.66 3f9k h ASN 120 Ca 0.63 -0.11 -0.25 0.00 0.07 0.00 0.00 56.30 56.65 3f9k h ASN 120 Cb 1.38 -0.15 -0.00 0.00 -2.07 0.00 0.00 38.32 37.48 3f9k h ASN 120 CO -0.69 0.62 -1.10 -0.26 0.07 0.00 0.00 177.43 176.07 3f9k h PHE 121 N 0.58 0.44 -0.01 4.14 0.04 -1.19 -3.12 116.94 117.81 3f9k h PHE 121 Ca 0.13 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.61 3f9k h PHE 121 Cb 0.32 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.44 3f9k h PHE 121 CO 0.01 1.18 -0.01 0.25 -0.60 0.00 0.00 178.31 179.14 3f9k n THR 122 N -3.58 0.00 -0.57 -1.55 -2.24 -0.91 -4.72 114.28 100.71 3f9k n THR 122 Ca -0.06 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 3f9k n THR 122 Cb 0.94 0.25 0.23 0.00 -2.10 0.00 0.00 70.33 69.65 3f9k n THR 122 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3f9k s SER 123 N -2.03 1.37 0.03 3.42 1.04 -0.51 -4.86 113.70 112.17 3f9k s SER 123 Ca 0.40 1.69 -0.19 0.00 0.48 0.00 0.00 55.95 58.32 3f9k s SER 123 Cb 0.21 -2.38 -0.17 0.00 0.10 0.00 0.00 66.02 63.78 3f9k s SER 123 CO 0.35 -3.99 1.24 -0.61 0.98 0.00 0.00 173.24 171.21 3f9k h GLN 124 N -2.47 0.43 -0.84 4.02 5.75 -1.89 -2.78 115.11 117.33 3f9k h GLN 124 Ca -0.57 -0.32 0.12 0.00 -0.15 0.00 0.00 58.65 57.72 3f9k h GLN 124 Cb 1.32 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.84 3f9k h GLN 124 CO 0.48 0.95 0.47 0.93 -2.65 0.00 0.00 178.83 179.01 3f9k h GLU 125 N 0.01 0.72 -0.18 1.69 3.07 -1.93 -1.08 114.58 116.87 3f9k h GLU 125 Ca -0.01 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 3f9k h GLU 125 Cb 0.99 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3f9k h GLU 125 CO 0.08 0.47 -0.16 0.28 -1.40 0.00 0.00 179.01 178.28 3f9k h VAL 126 N 0.74 1.33 -0.90 3.13 2.07 -1.77 -2.64 116.25 118.21 3f9k h VAL 126 Ca 0.43 -1.30 0.14 0.00 0.82 0.00 0.00 66.70 66.78 3f9k h VAL 126 Cb 0.49 1.78 -0.09 0.00 -1.52 0.00 0.00 31.29 31.95 3f9k h VAL 126 CO -0.29 0.39 0.51 0.11 0.02 0.00 0.00 177.57 178.31 3f9k h LYS 127 N 0.09 0.73 0.13 1.57 1.57 -1.11 0.04 116.57 119.59 3f9k h LYS 127 Ca 0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3f9k h LYS 127 Cb 0.69 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3f9k h LYS 127 CO 0.04 0.48 -0.08 0.52 -0.57 0.00 0.00 179.45 179.85 3f9k h MET 128 N 0.75 -0.19 -0.29 3.15 2.86 -1.10 0.12 114.93 120.23 3f9k h MET 128 Ca 0.47 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.16 3f9k h MET 128 Cb 0.59 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3f9k h MET 128 CO -0.32 -0.13 0.10 0.28 1.06 0.00 0.00 176.91 177.90 3f9k h VAL 129 N -0.20 0.91 -0.59 -2.22 2.07 -1.07 0.77 116.25 115.93 3f9k h VAL 129 Ca -0.01 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3f9k h VAL 129 Cb 0.16 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 3f9k h VAL 129 CO 0.01 0.04 0.27 0.00 0.02 0.00 0.00 177.57 177.92 3f9k h ALA 130 N 1.19 0.77 -0.37 1.67 0.00 -0.76 0.07 119.26 121.83 3f9k h ALA 130 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3f9k h ALA 130 Cb 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3f9k h ALA 130 CO -0.14 -0.10 0.19 2.35 0.00 0.00 0.00 179.25 181.54 3f9k h TRP 131 N 0.50 0.53 -0.24 0.00 7.01 -0.23 0.27 115.95 123.79 3f9k h TRP 131 Ca 0.28 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 3f9k h TRP 131 Cb 0.25 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 3f9k h TRP 131 CO -0.12 0.44 0.07 2.35 -2.79 0.00 0.00 178.44 178.39 3f9k h TRP 132 N 0.46 0.38 0.00 2.65 7.01 -0.01 -2.60 115.95 123.84 3f9k h TRP 132 Ca 0.13 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 3f9k h TRP 132 Cb 0.10 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 3f9k h TRP 132 CO -0.02 0.44 -0.13 0.82 -2.79 0.00 0.00 178.44 176.76 3f9k h ILE 133 N 0.22 0.24 -2.56 2.65 5.03 -1.05 -3.48 117.51 118.55 3f9k h ILE 133 Ca 0.08 -1.17 0.00 0.00 -0.12 0.00 0.00 64.86 63.64 3f9k h ILE 133 Cb 0.24 1.98 0.00 0.00 -3.03 0.00 0.00 36.82 36.00 3f9k h ILE 133 CO -0.00 0.12 0.00 0.61 -0.68 0.00 0.00 178.15 178.20 3f9k n GLY 134 N 0.84 0.82 3.31 5.37 0.00 0.34 -5.04 105.19 110.82 3f9k n GLY 134 Ca 0.03 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3f9k n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f9k s ILE 135 N -2.90 2.43 -0.16 -0.61 1.01 0.67 -4.82 121.20 116.84 3f9k s ILE 135 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 3f9k s ILE 135 Cb 0.00 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 3f9k s ILE 135 CO 0.00 0.56 1.20 -0.70 0.00 0.00 0.00 174.94 176.00 3f9k s GLU 136 N 0.04 4.27 0.01 2.79 2.12 0.28 -4.62 118.70 123.59 3f9k s GLU 136 Ca -0.08 1.59 -0.12 0.00 0.36 0.00 0.00 54.97 56.72 3f9k s GLU 136 Cb -0.15 -3.70 -0.06 0.00 0.26 0.00 0.00 34.13 30.49 3f9k s GLU 136 CO 0.05 -0.63 0.37 -0.65 -0.54 0.00 0.00 175.26 173.87 3f9k s GLN 137 N 3.16 3.81 -0.02 4.30 -0.21 -1.26 -0.51 119.66 128.94 3f9k s GLN 137 Ca 0.53 0.28 0.01 0.00 0.02 0.00 0.00 55.36 56.19 3f9k s GLN 137 Cb -0.21 -3.15 0.01 0.00 1.00 0.00 0.00 33.01 30.66 3f9k s GLN 137 CO 0.14 0.66 -0.02 -1.12 -2.12 0.00 0.00 175.29 172.84 3f9k s SER 138 N -1.28 0.43 -0.13 5.90 0.01 -0.40 -4.95 113.70 113.27 3f9k s SER 138 Ca 0.25 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.47 3f9k s SER 138 Cb -0.15 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 3f9k s SER 138 CO 0.14 -0.03 -0.15 -0.36 0.41 0.00 0.00 173.24 173.24 3f9k s PHE 139 N 0.50 2.76 0.00 2.43 0.08 -1.26 -1.93 117.98 120.55 3f9k s PHE 139 Ca -0.05 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.18 3f9k s PHE 139 Cb -0.08 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 3f9k s PHE 139 CO -0.01 -0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.20 3f9k n GLY 140 N 3.68 2.03 3.76 4.36 0.00 0.60 -4.61 105.19 115.02 3f9k n GLY 140 Ca -0.19 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3f9k n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f9k s VAL 141 N 0.00 2.67 0.16 1.61 -7.23 -1.26 -4.19 120.40 112.16 3f9k s VAL 141 Ca 0.00 0.47 -0.09 0.00 -1.81 0.00 0.00 61.98 60.55 3f9k s VAL 141 Cb 0.00 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.65 3f9k s VAL 141 CO 0.00 -0.04 0.46 -2.16 -0.31 0.00 0.00 175.10 173.05 3f9k s PRO 142 N -2.98 3.75 0.09 4.82 0.04 -1.26 -5.17 135.00 134.30 3f9k s PRO 142 Ca 0.71 0.16 -0.01 0.00 0.04 0.00 0.00 61.00 61.89 3f9k s PRO 142 Cb -0.32 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 3f9k s PRO 142 CO 0.37 0.43 0.27 0.71 0.04 0.00 0.00 177.00 178.82 3f9k s TYR 143 N -1.64 3.50 0.73 0.56 1.51 -1.26 -4.98 117.35 115.78 3f9k s TYR 143 Ca 0.41 0.33 -0.16 0.00 -1.01 0.00 0.00 57.07 56.64 3f9k s TYR 143 Cb -0.12 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 3f9k s TYR 143 CO 0.21 0.54 0.79 0.09 -1.11 0.00 0.00 175.55 176.07 3f9k n ASN 144 N 0.16 -0.21 -4.77 2.29 3.02 -1.26 -4.88 115.26 109.61 3f9k n ASN 144 Ca -0.04 0.63 -0.34 0.00 -0.03 0.00 0.00 54.58 54.79 3f9k n ASN 144 Cb 0.51 -1.33 0.04 0.00 -0.61 0.00 0.00 39.78 38.39 3f9k n ASN 144 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3f9k s PRO 145 N -3.15 2.93 -1.44 3.52 0.02 -1.26 -3.15 135.00 132.47 3f9k s PRO 145 Ca 0.70 1.51 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3f9k s PRO 145 Cb -0.34 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.22 3f9k s PRO 145 CO 0.54 -1.17 0.00 0.00 -0.33 0.00 0.00 177.00 176.04 3f9k n GLN 146 N -2.05 -1.69 0.00 5.54 -0.00 -1.26 -4.66 117.38 113.26 3f9k n GLN 146 Ca 0.11 0.81 0.00 0.00 -0.00 0.00 0.00 57.00 57.92 3f9k n GLN 146 Cb 0.51 -5.26 0.00 0.00 -0.00 0.00 0.00 30.24 25.50 3f9k n GLN 146 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3f9k n SER 147 N -1.28 0.00 -4.71 2.61 3.41 -1.19 -4.93 113.62 107.54 3f9k n SER 147 Ca -0.16 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.03 3f9k n SER 147 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3f9k n SER 147 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3f9k s GLN 148 N 0.00 4.27 -0.90 4.33 2.00 -1.22 -3.74 119.66 124.39 3f9k s GLN 148 Ca 0.00 2.18 0.00 0.00 -2.00 0.00 0.00 55.36 55.54 3f9k s GLN 148 Cb 0.00 -3.32 0.00 0.00 0.80 0.00 0.00 33.01 30.49 3f9k s GLN 148 CO 0.00 -0.55 0.00 0.41 -0.50 0.00 0.00 175.29 174.65 3f9k n GLY 149 N 3.66 0.28 0.12 2.59 0.00 -1.26 -4.94 105.19 105.64 3f9k n GLY 149 Ca 0.13 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 3f9k n GLY 149 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f9k h VAL 150 N 0.00 1.29 -0.03 1.61 2.07 -1.98 -2.35 116.25 116.86 3f9k h VAL 150 Ca -0.23 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.32 3f9k h VAL 150 Cb 1.03 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3f9k h VAL 150 CO 0.28 0.29 -0.08 0.58 0.02 0.00 0.00 177.57 178.67 3f9k h VAL 151 N 0.02 0.79 -0.71 2.57 2.07 -1.89 -0.67 116.25 118.43 3f9k h VAL 151 Ca 0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.70 3f9k h VAL 151 Cb 0.47 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 30.93 3f9k h VAL 151 CO 0.02 0.00 0.21 -0.33 0.02 0.00 0.00 177.57 177.49 3f9k h GLU 152 N -0.12 0.33 -0.14 1.57 3.07 -1.96 0.41 114.58 117.73 3f9k h GLU 152 Ca 0.04 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 3f9k h GLU 152 Cb 0.18 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3f9k h GLU 152 CO -0.10 0.22 0.05 0.00 -1.40 0.00 0.00 179.01 177.77 3f9k h ALA 153 N 1.55 0.16 -0.60 3.43 0.00 -0.93 -2.87 119.26 119.99 3f9k h ALA 153 Ca 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3f9k h ALA 153 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3f9k h ALA 153 CO -0.44 -0.39 0.30 0.52 0.00 0.00 0.00 179.25 179.24 3f9k h MET 154 N 0.12 0.84 -0.56 0.00 2.86 0.60 -1.17 114.93 117.63 3f9k h MET 154 Ca 0.06 -0.10 0.11 0.00 -2.06 0.00 0.00 59.70 57.71 3f9k h MET 154 Cb 0.03 -0.17 -0.11 0.00 0.06 0.00 0.00 31.60 31.42 3f9k h MET 154 CO -0.06 0.64 -0.18 -0.91 1.06 0.00 0.00 176.91 177.46 3f9k h ASN 155 N 0.85 -0.64 0.54 1.22 2.35 -0.07 0.60 115.58 120.42 3f9k h ASN 155 Ca 0.21 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 56.12 3f9k h ASN 155 Cb 0.06 0.39 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 3f9k h ASN 155 CO -0.03 -0.22 -0.33 -0.74 -1.65 0.00 0.00 177.43 174.46 3f9k h HIS 156 N -0.04 -0.88 -0.96 1.19 -0.00 -1.11 -1.50 115.15 111.85 3f9k h HIS 156 Ca 0.27 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.69 3f9k h HIS 156 Cb 0.45 0.31 -0.07 0.00 -0.00 0.00 0.00 27.41 28.11 3f9k h HIS 156 CO -0.50 -0.51 0.61 0.45 -0.00 0.00 0.00 177.93 177.98 3f9k h HIS 157 N -0.83 1.13 -0.61 5.26 3.86 -0.56 0.01 115.15 123.41 3f9k h HIS 157 Ca -0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 3f9k h HIS 157 Cb 0.68 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 3f9k h HIS 157 CO -0.10 0.57 0.27 1.25 0.86 0.00 0.00 177.93 180.79 3f9k h LEU 158 N 1.10 0.82 -0.79 2.43 5.85 0.28 -1.15 115.31 123.84 3f9k h LEU 158 Ca 0.42 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3f9k h LEU 158 Cb 0.19 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3f9k h LEU 158 CO -0.18 0.74 0.36 0.11 -0.34 0.00 0.00 178.44 179.13 3f9k h LYS 159 N 0.84 1.16 -0.74 1.25 1.57 -0.28 0.11 116.57 120.48 3f9k h LYS 159 Ca 0.21 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3f9k h LYS 159 Cb 0.16 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 3f9k h LYS 159 CO -0.02 0.91 0.44 -0.91 -0.57 0.00 0.00 179.45 179.29 3f9k h ASN 160 N 1.13 0.68 -0.24 0.86 2.35 -0.64 0.20 115.58 119.91 3f9k h ASN 160 Ca 0.27 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 3f9k h ASN 160 Cb 0.15 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3f9k h ASN 160 CO -0.03 0.44 -0.02 -0.61 -1.65 0.00 0.00 177.43 175.56 3f9k h GLN 161 N 0.81 0.44 -0.92 0.81 5.75 -0.61 -2.09 115.11 119.30 3f9k h GLN 161 Ca 0.32 -0.15 0.10 0.00 -0.15 0.00 0.00 58.65 58.77 3f9k h GLN 161 Cb 0.16 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.60 3f9k h GLN 161 CO -0.17 0.64 0.59 0.82 -2.65 0.00 0.00 178.83 178.06 3f9k h ILE 162 N 0.20 0.97 -0.36 2.39 2.04 -0.49 -2.10 117.51 120.16 3f9k h ILE 162 Ca 0.07 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3f9k h ILE 162 Cb 0.46 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3f9k h ILE 162 CO 0.02 0.17 0.14 -1.28 0.00 0.00 0.00 178.15 177.20 3f9k h SER 163 N 0.92 0.50 -0.51 1.72 0.87 -0.65 -0.32 113.55 116.08 3f9k h SER 163 Ca 0.43 -0.17 0.07 0.00 -1.23 0.00 0.00 61.79 60.89 3f9k h SER 163 Cb 0.41 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 3f9k h SER 163 CO -0.19 0.54 0.34 0.03 -0.53 0.00 0.00 176.83 177.02 3f9k h ARG 164 N 0.44 0.39 -0.12 2.24 3.08 -0.69 -2.51 114.38 117.20 3f9k h ARG 164 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3f9k h ARG 164 Cb 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3f9k h ARG 164 CO -0.01 0.26 0.00 0.44 -1.07 0.00 0.00 179.97 179.59 3f9k n ILE 165 N -4.47 1.91 -0.14 2.04 -5.35 -1.09 -4.83 119.36 107.42 3f9k n ILE 165 Ca 0.07 -1.93 -0.05 0.00 -0.27 0.00 0.00 62.75 60.58 3f9k n ILE 165 Cb 0.29 -0.13 0.01 0.00 -1.74 0.00 0.00 39.64 38.07 3f9k n ILE 165 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3f9k h ARG 166 N 0.82 -0.13 -0.98 6.28 1.12 -0.58 -2.25 114.38 118.66 3f9k h ARG 166 Ca 0.00 0.01 -0.22 0.00 -1.11 0.00 0.00 59.98 58.65 3f9k h ARG 166 Cb 1.11 0.03 -0.13 0.00 -0.01 0.00 0.00 29.97 30.96 3f9k h ARG 166 CO 0.09 -0.09 0.28 -0.85 -3.11 0.00 0.00 179.97 176.29 3f9k n GLU 167 N -5.40 1.71 0.01 0.20 0.28 -1.26 -3.49 120.64 112.69 3f9k n GLU 167 Ca 0.03 -1.43 0.11 0.00 -0.16 0.00 0.00 57.16 55.71 3f9k n GLU 167 Cb 0.31 -1.59 -0.05 0.00 1.43 0.00 0.00 31.44 31.54 3f9k n GLU 167 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3f9k n GLN 168 N -0.23 0.31 -3.74 3.44 6.02 -0.85 -4.97 117.38 117.37 3f9k n GLN 168 Ca 0.27 -0.04 -0.11 0.00 -0.01 0.00 0.00 57.00 57.10 3f9k n GLN 168 Cb 1.03 -1.56 -0.07 0.00 1.02 0.00 0.00 30.24 30.66 3f9k n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3f9k s ALA 169 N -3.23 -0.71 -0.04 -1.58 0.00 -1.23 -5.11 121.76 109.87 3f9k s ALA 169 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 3f9k s ALA 169 Cb 0.15 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 3f9k s ALA 169 CO 0.84 -0.45 -0.02 -0.91 0.00 0.00 0.00 175.76 175.23 3f9k h ASN 170 N 3.07 0.00 -4.02 0.00 2.35 -1.93 -3.48 115.58 111.57 3f9k h ASN 170 Ca -0.32 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.90 3f9k h ASN 170 Cb 1.21 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.67 3f9k h ASN 170 CO 0.47 0.20 0.55 0.42 -1.65 0.00 0.00 177.43 177.42 3f9k s THR 171 N -1.26 2.64 0.21 2.81 -4.23 -1.26 -4.94 115.64 109.61 3f9k s THR 171 Ca -0.01 0.49 0.05 0.00 -1.18 0.00 0.00 61.69 61.04 3f9k s THR 171 Cb 0.00 -3.25 -0.08 0.00 1.34 0.00 0.00 72.50 70.50 3f9k s THR 171 CO 0.02 0.00 1.49 0.40 -0.54 0.00 0.00 174.62 175.99 3f9k h ILE 172 N 1.76 1.45 -0.79 2.99 2.04 -1.97 -2.41 117.51 120.57 3f9k h ILE 172 Ca -0.50 -2.28 0.19 0.00 1.00 0.00 0.00 64.86 63.27 3f9k h ILE 172 Cb 1.27 2.22 -0.13 0.00 -0.74 0.00 0.00 36.82 39.44 3f9k h ILE 172 CO 0.59 0.67 0.15 -0.33 0.00 0.00 0.00 178.15 179.23 3f9k h GLU 173 N 0.12 0.20 0.02 2.37 3.07 -1.97 -1.44 114.58 116.95 3f9k h GLU 173 Ca -0.02 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.70 3f9k h GLU 173 Cb 1.27 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 29.15 3f9k h GLU 173 CO 0.11 0.13 -0.51 1.15 -1.40 0.00 0.00 179.01 178.49 3f9k h THR 174 N 0.21 1.49 -0.77 1.13 2.02 -1.93 -3.33 112.91 111.72 3f9k h THR 174 Ca 0.46 -2.12 -0.03 0.00 0.77 0.00 0.00 66.41 65.49 3f9k h THR 174 Cb 0.85 2.78 -0.04 0.00 -1.74 0.00 0.00 68.15 70.00 3f9k h THR 174 CO -0.60 0.60 0.38 -0.29 0.37 0.00 0.00 175.52 175.98 3f9k h ILE 175 N -0.30 1.24 0.47 3.11 6.09 -0.91 -2.58 117.51 124.63 3f9k h ILE 175 Ca -0.07 -0.66 -0.02 0.00 -1.37 0.00 0.00 64.86 62.75 3f9k h ILE 175 Cb 1.26 0.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 3f9k h ILE 175 CO 0.10 0.28 -0.31 0.58 -3.07 0.00 0.00 178.15 175.73 3f9k h VAL 176 N 1.09 0.36 -0.83 2.19 2.07 -1.42 -0.24 116.25 119.46 3f9k h VAL 176 Ca 0.27 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.91 3f9k h VAL 176 Cb 0.09 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 3f9k h VAL 176 CO -0.04 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.03 3f9k h LEU 177 N -0.76 0.62 -0.20 2.57 3.38 -1.63 0.15 115.31 119.45 3f9k h LEU 177 Ca -0.05 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3f9k h LEU 177 Cb 0.63 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3f9k h LEU 177 CO 0.04 0.34 -0.02 0.24 0.09 0.00 0.00 178.44 179.13 3f9k h MET 178 N 0.68 0.36 -0.63 1.13 2.86 -1.12 -2.46 114.93 115.74 3f9k h MET 178 Ca 0.40 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.94 3f9k h MET 178 Cb 0.61 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 3f9k h MET 178 CO -0.17 0.59 0.39 0.00 1.06 0.00 0.00 176.91 178.79 3f9k h ALA 179 N 0.76 0.83 -0.58 6.32 0.00 0.48 -2.30 119.26 124.75 3f9k h ALA 179 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3f9k h ALA 179 Cb 0.45 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3f9k h ALA 179 CO 0.01 0.13 0.33 0.28 0.00 0.00 0.00 179.25 180.01 3f9k h VAL 180 N 0.76 1.01 -0.62 0.00 2.07 -0.73 -1.03 116.25 117.71 3f9k h VAL 180 Ca 0.26 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3f9k h VAL 180 Cb 0.04 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 3f9k h VAL 180 CO -0.11 0.12 0.29 -0.74 0.02 0.00 0.00 177.57 177.14 3f9k h HIS 181 N 0.64 0.51 -0.36 1.57 6.17 -0.94 -1.23 115.15 121.51 3f9k h HIS 181 Ca 0.25 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.35 3f9k h HIS 181 Cb 0.09 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 29.87 3f9k h HIS 181 CO -0.07 0.19 0.23 0.00 0.71 0.00 0.00 177.93 178.99 3f9k h MET 183 N 0.48 0.00 0.00 0.00 2.86 -0.57 0.33 114.93 118.04 3f9k h MET 183 Ca 0.13 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 3f9k h MET 183 Cb -0.02 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3f9k h MET 183 CO -0.03 0.23 -1.78 0.09 1.06 0.00 0.00 176.91 176.49 3f9k n ASN 184 N -3.53 0.49 0.00 1.22 3.02 -0.52 -4.55 115.26 111.39 3f9k n ASN 184 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 3f9k n ASN 184 Cb 0.38 0.69 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 3f9k n ASN 184 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3f9k n PHE 185 N -2.75 0.00 0.22 3.10 3.72 -0.50 -2.02 117.46 119.23 3f9k n PHE 185 Ca -0.15 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.30 3f9k n PHE 185 Cb 0.88 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.48 3f9k n PHE 185 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3f9k n LYS 186 N -1.19 1.03 -4.51 -1.08 4.76 0.12 -4.95 118.16 112.33 3f9k n LYS 186 Ca 0.00 -1.31 -0.24 0.00 -2.87 0.00 0.00 58.31 53.90 3f9k n LYS 186 Cb 0.00 -1.19 -0.14 0.00 -1.84 0.00 0.00 35.03 31.87 3f9k n LYS 186 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3f9k s ARG 187 N -0.83 1.21 -0.01 1.97 1.70 -1.21 -2.53 118.95 119.26 3f9k s ARG 187 Ca 0.13 -0.90 -0.02 0.00 -0.47 0.00 0.00 55.73 54.47 3f9k s ARG 187 Cb 0.08 -1.31 -0.00 0.00 -0.57 0.00 0.00 34.95 33.15 3f9k s ARG 187 CO 0.12 0.33 0.05 0.50 -1.08 0.00 0.00 175.30 175.21 3f9k s ARG 188 N -1.23 0.15 0.00 3.89 3.52 -1.26 -4.21 118.95 119.81 3f9k s ARG 188 Ca 0.05 -0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 3f9k s ARG 188 Cb -0.09 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 3f9k s ARG 188 CO 0.02 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 3f9k n GLY 189 N 2.60 -0.62 7.00 8.12 0.00 -1.03 -4.48 105.19 116.79 3f9k n GLY 189 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3f9k n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f9k n GLY 190 N 0.00 0.50 0.35 -0.02 0.00 -1.26 -1.92 105.19 102.84 3f9k n GLY 190 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 3f9k n GLY 190 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3f9k h ILE 191 N 0.00 0.00 -0.54 -0.61 3.07 -1.95 -2.80 117.51 114.67 3f9k h ILE 191 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3f9k h ILE 191 Cb 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 36.55 3f9k h ILE 191 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3f9k n GLY 192 N -1.29 2.78 3.57 0.16 0.00 -1.26 -4.95 105.19 104.19 3f9k n GLY 192 Ca -0.03 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 3f9k n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f9k n ASP 193 N 0.96 -2.91 -4.58 1.61 10.43 -1.06 -5.01 116.55 115.99 3f9k n ASP 193 Ca 0.20 -0.79 -0.27 0.00 2.57 0.00 0.00 54.79 56.50 3f9k n ASP 193 Cb 0.63 -4.37 -0.11 0.00 1.84 0.00 0.00 41.12 39.12 3f9k n ASP 193 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3f9k s MET 194 N -5.57 1.88 0.44 -1.24 0.23 -0.81 -4.45 119.30 109.78 3f9k s MET 194 Ca 0.15 -2.02 -0.15 0.00 -1.03 0.00 0.00 55.69 52.64 3f9k s MET 194 Cb -0.04 -1.62 -0.08 0.00 -1.53 0.00 0.00 34.83 31.56 3f9k s MET 194 CO 0.79 0.03 0.88 0.95 -2.03 0.00 0.00 175.02 175.64 3f9k s THR 195 N -2.70 4.60 0.36 3.16 -4.23 -1.26 -2.46 115.64 113.12 3f9k s THR 195 Ca 0.34 1.05 0.14 0.00 -1.18 0.00 0.00 61.69 62.04 3f9k s THR 195 Cb 0.07 -3.69 0.35 0.00 1.34 0.00 0.00 72.50 70.57 3f9k s THR 195 CO 0.17 -0.51 1.77 -0.65 -0.54 0.00 0.00 174.62 174.87 3f9k h PRO 196 N 1.37 0.50 0.87 3.99 0.11 -1.75 -0.15 132.00 136.94 3f9k h PRO 196 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3f9k h PRO 196 Cb 1.18 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.19 3f9k h PRO 196 CO 0.63 0.33 -0.42 1.03 -0.21 0.00 0.00 178.00 179.36 3f9k h SER 197 N 0.52 -0.99 -0.75 -2.05 0.87 -1.74 -1.23 113.55 108.18 3f9k h SER 197 Ca 0.59 0.03 0.17 0.00 -1.23 0.00 0.00 61.79 61.35 3f9k h SER 197 Cb 1.28 0.26 -0.11 0.00 -0.44 0.00 0.00 62.40 63.38 3f9k h SER 197 CO -0.34 -0.70 0.18 -0.33 -0.53 0.00 0.00 176.83 175.10 3f9k h GLU 198 N -1.17 0.25 -0.10 2.24 5.08 -1.49 -0.34 114.58 119.06 3f9k h GLU 198 Ca -0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3f9k h GLU 198 Cb 0.89 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 3f9k h GLU 198 CO 0.20 0.17 0.06 -0.09 -1.00 0.00 0.00 179.01 178.34 3f9k h ARG 199 N 0.26 0.15 0.07 2.33 2.43 -0.96 -0.45 114.38 118.21 3f9k h ARG 199 Ca 0.43 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.57 3f9k h ARG 199 Cb 0.74 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3f9k h ARG 199 CO -0.52 0.19 -0.04 1.25 -1.51 0.00 0.00 179.97 179.34 3f9k h LEU 200 N 0.07 -0.08 -0.54 3.80 5.85 -0.46 -0.71 115.31 123.23 3f9k h LEU 200 Ca 0.04 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.72 3f9k h LEU 200 Cb 0.08 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3f9k h LEU 200 CO -0.01 0.04 0.27 0.40 -0.34 0.00 0.00 178.44 178.80 3f9k h ILE 201 N -0.20 0.95 -0.71 4.05 5.03 -1.06 -1.55 117.51 124.02 3f9k h ILE 201 Ca -0.01 -0.18 -0.01 0.00 -0.12 0.00 0.00 64.86 64.54 3f9k h ILE 201 Cb 0.17 0.38 -0.03 0.00 -3.03 0.00 0.00 36.82 34.30 3f9k h ILE 201 CO 0.02 0.09 0.40 -1.13 -0.68 0.00 0.00 178.15 176.85 3f9k h ASN 202 N 0.52 0.87 -0.63 1.72 -1.24 -0.92 -1.91 115.58 113.99 3f9k h ASN 202 Ca 0.24 -0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.10 3f9k h ASN 202 Cb 0.15 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 3f9k h ASN 202 CO -0.17 0.70 0.16 0.24 -1.29 0.00 0.00 177.43 177.07 3f9k h MET 203 N 0.97 1.04 -0.43 6.67 2.86 -0.73 -1.85 114.93 123.47 3f9k h MET 203 Ca 0.25 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3f9k h MET 203 Cb 0.01 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3f9k h MET 203 CO -0.04 0.92 -0.04 0.82 1.06 0.00 0.00 176.91 179.62 3f9k h ILE 204 N 0.99 1.24 0.00 -1.22 2.04 -0.89 -2.79 117.51 116.87 3f9k h ILE 204 Ca 0.21 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 3f9k h ILE 204 Cb 0.35 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3f9k h ILE 204 CO 0.00 0.35 -0.19 0.74 0.00 0.00 0.00 178.15 179.06 3f9k h THR 205 N 0.67 0.34 0.00 -0.27 2.02 -1.07 -3.27 112.91 111.33 3f9k h THR 205 Ca 0.13 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3f9k h THR 205 Cb 0.48 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3f9k h THR 205 CO 0.02 0.18 0.00 0.41 0.37 0.00 0.00 175.52 176.51 3f9k n THR 206 N -3.18 0.19 0.48 3.16 -1.04 -0.72 -5.10 114.28 108.06 3f9k n THR 206 Ca 0.02 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.09 3f9k n THR 206 Cb 0.55 -0.54 0.05 0.00 -1.82 0.00 0.00 70.33 68.57 3f9k n THR 206 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81