#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 0.43 3.15 -2.65 -1.99 -3.29 117.51 114.14 3f9k h ILE 5 Ca 0.00 -2.12 -0.02 0.00 1.03 0.00 0.00 64.86 63.75 3f9k h ILE 5 Cb 0.00 2.30 0.00 0.00 -2.05 0.00 0.00 36.82 37.07 3f9k h ILE 5 CO 0.00 0.51 -0.21 -0.33 0.03 0.00 0.00 178.15 178.16 3f9k h GLU 6 N 0.00 -0.56 -0.69 0.16 4.39 -2.03 0.16 114.58 116.01 3f9k h GLU 6 Ca -0.01 0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.86 3f9k h GLU 6 Cb 1.25 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.99 3f9k h GLU 6 CO 0.07 -0.31 0.46 -1.35 -1.16 0.00 0.00 179.01 176.72 3f9k h PRO 7 N -0.69 0.40 0.02 2.33 0.11 -1.99 -1.15 132.00 131.03 3f9k h PRO 7 Ca -0.06 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.76 3f9k h PRO 7 Cb 0.50 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.54 3f9k h PRO 7 CO 0.10 0.27 -1.05 0.00 -0.21 0.00 0.00 178.00 177.10 3f9k h ALA 8 N 1.66 0.10 -0.79 -0.75 0.00 -1.56 -1.86 119.26 116.05 3f9k h ALA 8 Ca 0.33 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3f9k h ALA 8 Cb 0.72 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3f9k h ALA 8 CO -0.10 0.66 0.45 0.37 0.00 0.00 0.00 179.25 180.63 3f9k h GLN 9 N 0.35 1.09 -0.20 0.00 4.15 -0.19 -1.75 115.11 118.56 3f9k h GLN 9 Ca -0.14 -0.12 -0.19 0.00 0.77 0.00 0.00 58.65 58.98 3f9k h GLN 9 Cb 1.71 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.18 3f9k h GLN 9 CO 0.21 0.79 -0.63 1.49 -1.93 0.00 0.00 178.83 178.76 3f9k h GLU 10 N 1.10 0.70 -0.68 1.69 4.81 -1.24 0.37 114.58 121.34 3f9k h GLU 10 Ca 0.28 -0.49 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 3f9k h GLU 10 Cb 0.01 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3f9k h GLU 10 CO -0.05 1.11 0.24 1.49 -0.73 0.00 0.00 179.01 181.07 3f9k h GLU 11 N 0.52 1.04 -0.15 1.92 4.57 -1.04 -3.05 114.58 118.38 3f9k h GLU 11 Ca -0.01 -0.21 -0.22 0.00 -1.18 0.00 0.00 59.36 57.74 3f9k h GLU 11 Cb 1.22 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 29.66 3f9k h GLU 11 CO 0.13 0.88 -0.78 1.25 -1.18 0.00 0.00 179.01 179.31 3f9k h HIS 12 N 0.98 1.05 -0.31 0.92 2.76 -1.06 -1.52 115.15 117.96 3f9k h HIS 12 Ca 0.22 -0.46 0.09 0.00 -2.20 0.00 0.00 60.37 58.02 3f9k h HIS 12 Cb 0.25 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3f9k h HIS 12 CO 0.02 1.29 0.37 1.49 -1.30 0.00 0.00 177.93 179.80 3f9k h GLU 13 N 0.53 0.00 0.00 5.26 4.81 -0.88 0.29 114.58 124.59 3f9k h GLU 13 Ca -0.05 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 3f9k h GLU 13 Cb 1.40 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.75 3f9k h GLU 13 CO 0.16 0.00 -1.45 1.17 -0.73 0.00 0.00 179.01 178.16 3f9k n LYS 14 N -3.66 0.54 -0.00 1.92 4.81 -1.08 -4.72 118.16 115.97 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 0.52 -1.57 -0.09 0.00 0.02 0.00 0.00 35.03 33.91 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 -2.93 5.64 4.01 -0.59 -4.99 117.16 113.88 3f9k n TYR 15 Ca -0.29 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.28 3f9k n TYR 15 Cb 0.62 -0.19 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 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 -1.71 -1.60 -1.54 -0.72 8.25 0.10 -4.93 115.22 113.07 3f9k n HIS 16 Ca -0.01 0.47 -0.58 0.00 -0.26 0.00 0.00 57.72 57.35 3f9k n HIS 16 Cb 0.28 -3.66 -0.08 0.00 1.12 0.00 0.00 29.99 27.66 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 -1.46 0.53 -3.86 0.41 7.64 -1.26 -4.94 113.62 110.68 3f9k n SER 17 Ca -0.06 1.15 -0.30 0.00 1.01 0.00 0.00 58.87 60.67 3f9k n SER 17 Cb 0.58 -0.99 0.24 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.36 0.67 0.08 6.43 2.20 -1.05 -4.66 114.94 118.98 3f9k s ASN 18 Ca 0.90 0.78 -0.30 0.00 -0.94 0.00 0.00 52.86 53.30 3f9k s ASN 18 Cb -1.20 -1.12 -0.16 0.00 -2.00 0.00 0.00 41.25 36.78 3f9k s ASN 18 CO 0.56 -4.29 1.65 0.58 -2.94 0.00 0.00 177.10 172.65 3f9k h VAL 19 N -2.69 0.47 -0.72 3.54 2.07 -1.92 -1.44 116.25 115.56 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 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3f9k h VAL 19 CO 0.36 0.00 0.48 0.11 0.02 0.00 0.00 177.57 178.54 3f9k h LYS 20 N -0.65 0.85 0.19 1.57 1.57 -1.93 -0.00 116.57 118.17 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 0.53 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3f9k h LYS 20 CO 0.06 0.56 -0.09 1.49 -0.57 0.00 0.00 179.45 180.90 3f9k h GLU 21 N 0.88 -0.25 -0.27 3.15 4.57 -1.74 -0.99 114.58 119.94 3f9k h GLU 21 Ca 0.29 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.55 3f9k h GLU 21 Cb 0.06 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 3f9k h GLU 21 CO -0.08 0.06 -0.13 -0.07 -1.18 0.00 0.00 179.01 177.61 3f9k h LEU 22 N -0.58 -0.44 -0.44 1.64 3.38 -0.85 0.28 115.31 118.30 3f9k h LEU 22 Ca -0.03 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3f9k h LEU 22 Cb 0.43 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 3f9k h LEU 22 CO 0.04 -0.17 0.17 -1.28 0.09 0.00 0.00 178.44 177.30 3f9k h SER 23 N -0.10 0.19 0.11 -0.43 0.87 -1.02 -1.48 113.55 111.70 3f9k h SER 23 Ca 0.14 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3f9k h SER 23 Cb 0.31 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3f9k h SER 23 CO -0.33 0.15 -0.05 -0.74 -0.53 0.00 0.00 176.83 175.33 3f9k h HIS 24 N 0.35 -0.13 -0.83 2.24 -0.00 -0.68 -1.51 115.15 114.59 3f9k h HIS 24 Ca 0.20 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.57 3f9k h HIS 24 Cb 0.18 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.60 3f9k h HIS 24 CO -0.14 0.27 0.51 -0.22 -0.00 0.00 0.00 177.93 178.34 3f9k h LYS 25 N -0.57 1.12 -0.24 5.26 1.63 -0.34 -3.18 116.57 120.25 3f9k h LYS 25 Ca -0.01 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 3f9k h LYS 25 Cb 0.46 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 3f9k h LYS 25 CO 0.02 0.77 0.00 1.19 -3.45 0.00 0.00 179.45 177.99 3f9k n PHE 26 N -4.46 0.31 -1.54 1.91 3.72 -0.57 -4.97 117.46 111.87 3f9k n PHE 26 Ca 0.08 -0.26 -0.18 0.00 -0.05 0.00 0.00 57.45 57.05 3f9k n PHE 26 Cb 0.05 -0.01 -0.08 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 0.81 1.65 3.78 1.37 0.00 -0.58 -4.95 105.19 107.28 3f9k n GLY 27 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.52 4.27 0.69 -0.61 2.07 -1.16 -5.03 121.20 118.90 3f9k s ILE 28 Ca 0.00 1.74 -0.17 0.00 -1.41 0.00 0.00 60.65 60.81 3f9k s ILE 28 Cb 0.00 -4.01 -0.01 0.00 0.13 0.00 0.00 42.46 38.57 3f9k s ILE 28 CO 0.00 0.19 0.97 -2.65 -1.91 0.00 0.00 174.94 171.54 3f9k n PRO 29 N 0.69 0.64 -0.18 3.50 -0.02 -1.26 -4.50 135.00 133.86 3f9k n PRO 29 Ca 0.01 0.27 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 3f9k n PRO 29 Cb 0.50 -2.21 0.40 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.02 0.59 -0.27 2.55 -1.24 -1.95 -2.37 115.58 112.87 3f9k h ASN 30 Ca -0.48 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 56.49 3f9k h ASN 30 Cb 1.34 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.28 3f9k h ASN 30 CO 0.48 0.35 -0.03 0.25 -1.29 0.00 0.00 177.43 177.19 3f9k h LEU 31 N 0.66 0.50 -1.15 0.34 5.85 -1.99 -1.67 115.31 117.85 3f9k h LEU 31 Ca 0.34 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3f9k h LEU 31 Cb 0.46 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3f9k h LEU 31 CO -0.12 0.72 0.58 0.58 -0.34 0.00 0.00 178.44 179.86 3f9k h VAL 32 N 0.27 1.15 -0.05 1.05 2.07 -1.79 0.83 116.25 119.79 3f9k h VAL 32 Ca 0.07 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3f9k h VAL 32 Cb 0.48 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3f9k h VAL 32 CO 0.02 0.20 0.02 0.00 0.02 0.00 0.00 177.57 177.83 3f9k h ALA 33 N 1.48 0.06 -0.57 1.67 0.00 -1.33 -2.02 119.26 118.56 3f9k h ALA 33 Ca 0.35 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3f9k h ALA 33 Cb 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3f9k h ALA 33 CO -0.10 -0.38 0.37 -0.09 0.00 0.00 0.00 179.25 179.05 3f9k h ARG 34 N -0.05 0.70 -0.52 0.00 2.43 -0.42 -2.21 114.38 114.31 3f9k h ARG 34 Ca 0.02 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 3f9k h ARG 34 Cb 0.13 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3f9k h ARG 34 CO -0.00 0.46 -0.13 1.96 -1.51 0.00 0.00 179.97 180.75 3f9k h GLN 35 N 0.72 0.99 -0.17 0.20 4.20 -0.62 -1.17 115.11 119.26 3f9k h GLN 35 Ca 0.22 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.57 3f9k h GLN 35 Cb -0.01 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3f9k h GLN 35 CO -0.05 1.05 0.08 0.82 -0.67 0.00 0.00 178.83 180.05 3f9k h ILE 36 N 0.88 0.98 -0.38 2.54 2.04 -0.77 -2.14 117.51 120.66 3f9k h ILE 36 Ca 0.13 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 3f9k h ILE 36 Cb 0.69 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3f9k h ILE 36 CO 0.05 0.03 -0.09 0.58 0.00 0.00 0.00 178.15 178.72 3f9k h VAL 37 N 0.17 1.24 -0.19 1.67 2.07 -1.36 -2.35 116.25 117.51 3f9k h VAL 37 Ca 0.07 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3f9k h VAL 37 Cb 0.03 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3f9k h VAL 37 CO -0.06 0.36 0.03 0.78 0.02 0.00 0.00 177.57 178.70 3f9k h ASN 38 N 0.60 0.24 0.35 0.57 2.35 -0.95 -1.98 115.58 116.76 3f9k h ASN 38 Ca 0.11 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3f9k h ASN 38 Cb 0.51 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3f9k h ASN 38 CO 0.03 0.26 -0.09 -1.20 -1.65 0.00 0.00 177.43 174.78 3f9k n SER 39 N -4.41 0.41 -4.61 5.81 7.64 -0.83 -4.82 113.62 112.80 3f9k n SER 39 Ca -0.00 -0.57 -0.41 0.00 1.01 0.00 0.00 58.87 58.90 3f9k n SER 39 Cb 0.15 -0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 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 8.03 -0.09 -0.32 0.00 0.00 -1.87 -3.21 119.26 121.79 3f9k h ALA 41 Ca -0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3f9k h ALA 41 Cb 1.12 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3f9k h ALA 41 CO 0.77 -0.56 -0.03 1.96 0.00 0.00 0.00 179.25 181.39 3f9k h GLN 42 N -0.11 0.51 0.00 0.00 7.50 -1.93 -2.78 115.11 118.31 3f9k h GLN 42 Ca 0.01 -0.12 0.00 0.00 0.50 0.00 0.00 58.65 59.04 3f9k h GLN 42 Cb 0.11 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.57 3f9k h GLN 42 CO -0.02 0.56 0.00 0.00 -1.50 0.00 0.00 178.83 177.87 3f9k s GLN 44 N -3.15 4.18 -1.47 0.00 1.11 -1.05 -3.30 119.66 115.99 3f9k s GLN 44 Ca 0.08 2.27 -0.11 0.00 0.01 0.00 0.00 55.36 57.61 3f9k s GLN 44 Cb 0.12 -2.95 0.05 0.00 -1.01 0.00 0.00 33.01 29.22 3f9k s GLN 44 CO 0.47 -0.36 0.97 1.04 0.01 0.00 0.00 175.29 177.42 3f9k n GLN 45 N 0.51 -6.08 -4.24 2.91 6.02 -1.26 -5.01 117.38 110.23 3f9k n GLN 45 Ca 0.01 0.69 -0.17 0.00 -0.01 0.00 0.00 57.00 57.53 3f9k n GLN 45 Cb 0.42 -5.63 -0.14 0.00 1.02 0.00 0.00 30.24 25.91 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 0.60 0.45 -1.09 1.02 -1.21 -5.16 119.74 107.96 3f9k s LYS 46 Ca 0.59 -0.36 -0.03 0.00 0.02 0.00 0.00 55.97 56.19 3f9k s LYS 46 Cb -0.28 -0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 36.45 3f9k s LYS 46 CO 0.72 0.15 0.72 0.20 -0.92 0.00 0.00 175.35 176.22 3f9k s GLY 47 N -0.42 1.47 0.55 -3.33 0.00 -1.26 -5.08 107.32 99.26 3f9k s GLY 47 Ca 0.01 -0.71 -0.16 0.00 0.00 0.00 0.00 44.72 43.85 3f9k s GLY 47 CO -0.00 -0.56 1.02 -0.54 0.00 0.00 0.00 173.10 173.02 3f9k s GLU 48 N -4.63 3.62 0.91 2.90 0.41 -1.26 -5.07 118.70 115.60 3f9k s GLU 48 Ca 0.46 1.11 -0.13 0.00 -0.41 0.00 0.00 54.97 56.00 3f9k s GLU 48 Cb -0.10 -2.08 0.21 0.00 -1.78 0.00 0.00 34.13 30.37 3f9k s GLU 48 CO 0.42 -0.55 1.24 0.00 -0.49 0.00 0.00 175.26 175.87 3f9k n ALA 49 N -1.75 -1.21 -2.86 5.21 0.00 -1.26 -5.08 120.51 113.57 3f9k n ALA 49 Ca 0.08 -1.72 -0.27 0.00 0.00 0.00 0.00 53.44 51.52 3f9k n ALA 49 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.69 5.27 0.00 0.00 -4.36 -1.26 -5.07 121.20 112.09 3f9k s ILE 50 Ca 0.72 -0.52 0.00 0.00 -0.26 0.00 0.00 60.65 60.59 3f9k s ILE 50 Cb -0.02 -3.73 0.00 0.00 1.25 0.00 0.00 42.46 39.95 3f9k s ILE 50 CO 0.50 -0.12 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 -4.80 115.22 114.30 3f9k n HIS 51 Ca -0.06 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.12 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 -1.67 0.92 -1.28 -1.41 0.00 -1.26 -2.17 107.32 100.44 3f9k s GLY 52 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 44.72 43.89 3f9k s GLY 52 CO 0.00 0.83 1.73 -1.06 0.00 0.00 0.00 173.10 174.60 3f9k n GLN 53 N 4.89 3.39 -0.74 2.90 6.02 -1.24 -4.89 117.38 127.71 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 -3.08 -0.09 0.00 1.02 0.00 0.00 30.24 28.58 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 4.39 2.28 -0.15 5.09 0.24 -1.25 -1.78 118.33 127.15 3f9k n VAL 54 Ca 0.41 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 3f9k n VAL 54 Cb 0.40 -1.95 0.00 0.00 -1.47 0.00 0.00 33.84 30.82 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 3.00 0.00 -4.82 -1.34 5.03 -1.26 -5.09 115.26 110.77 3f9k n ASN 55 Ca 0.36 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.49 3f9k n ASN 55 Cb 0.51 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.30 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 2.78 0.52 5.41 0.00 -0.73 -5.05 121.76 124.68 3f9k s ALA 56 Ca 0.00 0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.95 3f9k s ALA 56 Cb 0.00 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 3f9k s ALA 56 CO 0.00 -0.95 1.02 -1.21 0.00 0.00 0.00 175.76 174.62 3f9k s GLU 57 N -4.66 3.73 0.57 0.00 2.02 -1.26 -4.79 118.70 114.31 3f9k s GLU 57 Ca 0.60 1.22 0.27 0.00 0.02 0.00 0.00 54.97 57.08 3f9k s GLU 57 Cb -0.14 -2.09 1.52 0.00 0.10 0.00 0.00 34.13 33.52 3f9k s GLU 57 CO 0.47 -0.47 2.02 1.25 0.02 0.00 0.00 175.26 178.55 3f9k h LEU 58 N 1.16 0.00 -2.86 1.80 5.85 -1.98 -2.14 115.31 117.15 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 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3f9k h LEU 58 CO 0.59 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 3f9k n GLY 59 N -1.51 2.47 3.60 3.75 0.00 -1.26 -4.91 105.19 107.34 3f9k n GLY 59 Ca 0.06 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.72 5.05 0.08 2.61 2.01 -0.81 0.04 115.64 122.89 3f9k s THR 60 Ca 0.47 0.77 0.07 0.00 0.31 0.00 0.00 61.69 63.31 3f9k s THR 60 Cb 0.30 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 3f9k s THR 60 CO 0.24 0.00 -0.20 0.26 -0.69 0.00 0.00 174.62 174.24 3f9k s TRP 61 N 2.36 1.69 0.05 4.92 0.52 -0.08 -2.20 118.94 126.20 3f9k s TRP 61 Ca 0.21 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 56.02 3f9k s TRP 61 Cb -0.15 -0.96 -0.03 0.00 -1.15 0.00 0.00 33.47 31.18 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 -1.61 1.69 0.02 4.98 -0.21 -0.47 -1.60 119.66 122.45 3f9k s GLN 62 Ca 0.06 -1.08 0.04 0.00 0.02 0.00 0.00 55.36 54.39 3f9k s GLN 62 Cb -0.09 -1.87 -0.01 0.00 1.00 0.00 0.00 33.01 32.03 3f9k s GLN 62 CO 0.03 0.48 -0.11 1.41 -2.12 0.00 0.00 175.29 174.98 3f9k s MET 63 N -1.26 0.82 0.31 2.91 1.75 -1.08 -0.34 119.30 122.41 3f9k s MET 63 Ca 0.11 -0.56 -0.16 0.00 -1.25 0.00 0.00 55.69 53.83 3f9k s MET 63 Cb -0.10 -0.79 0.02 0.00 2.84 0.00 0.00 34.83 36.81 3f9k s MET 63 CO 0.02 0.20 0.67 0.34 -0.65 0.00 0.00 175.02 175.60 3f9k s ASP 64 N -0.74 -0.01 -0.03 1.11 2.15 0.09 -4.44 116.67 114.79 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 -1.41 -0.24 0.00 -0.17 0.00 0.00 175.17 173.35 3f9k s THR 66 N -0.42 1.25 0.07 0.00 -1.32 0.02 -5.00 115.64 110.23 3f9k s THR 66 Ca 0.05 -2.08 0.09 0.00 -1.21 0.00 0.00 61.69 58.54 3f9k s THR 66 Cb -0.11 -1.94 -0.03 0.00 -1.51 0.00 0.00 72.50 68.91 3f9k s THR 66 CO 0.01 -0.67 -0.25 -1.00 -2.21 0.00 0.00 174.62 170.49 3f9k s HIS 67 N -3.28 2.20 -0.21 9.09 3.76 -1.26 -0.47 115.29 125.12 3f9k s HIS 67 Ca 0.19 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.61 3f9k s HIS 67 Cb 0.02 -1.28 0.09 0.00 1.11 0.00 0.00 32.58 32.52 3f9k s HIS 67 CO 0.03 0.17 0.47 -1.17 -0.85 0.00 0.00 174.74 173.39 3f9k s LEU 68 N -1.44 -0.60 -1.50 0.89 0.20 -0.49 -4.93 118.68 110.81 3f9k s LEU 68 Ca 0.11 1.09 -0.06 0.00 0.69 0.00 0.00 54.13 55.96 3f9k s LEU 68 Cb -0.10 1.57 0.05 0.00 -0.43 0.00 0.00 46.19 47.28 3f9k s LEU 68 CO 0.03 -0.22 0.57 -0.62 -0.29 0.00 0.00 176.35 175.81 3f9k n GLU 69 N 5.03 -3.43 -1.10 1.98 1.02 -1.26 -0.42 120.64 122.46 3f9k n GLU 69 Ca -0.14 0.41 -0.03 0.00 -0.02 0.00 0.00 57.16 57.38 3f9k n GLU 69 Cb 0.52 -4.77 -0.01 0.00 -0.02 0.00 0.00 31.44 27.16 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 0.51 3.72 0.62 0.00 -1.26 -5.00 105.19 101.98 3f9k n GLY 70 Ca -0.17 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.74 2.80 -0.29 1.61 3.01 0.44 -5.10 119.74 120.47 3f9k s LYS 71 Ca 0.00 -0.67 -0.13 0.00 -1.01 0.00 0.00 55.97 54.16 3f9k s LYS 71 Cb 0.00 -2.68 -0.04 0.00 -1.01 0.00 0.00 37.83 34.10 3f9k s LYS 71 CO 0.00 0.59 0.30 0.42 0.51 0.00 0.00 175.35 177.17 3f9k s ILE 72 N -1.23 5.23 -0.22 2.17 1.01 -1.26 -1.39 121.20 125.51 3f9k s ILE 72 Ca 0.24 0.29 -0.06 0.00 0.00 0.00 0.00 60.65 61.13 3f9k s ILE 72 Cb -0.12 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3f9k s ILE 72 CO 0.16 0.14 0.02 -0.63 0.00 0.00 0.00 174.94 174.63 3f9k s ILE 73 N 1.93 4.07 -0.05 2.92 1.01 0.38 -0.75 121.20 130.72 3f9k s ILE 73 Ca 0.11 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 3f9k s ILE 73 Cb -0.16 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 3f9k s ILE 73 CO 0.11 0.40 0.33 -0.51 0.00 0.00 0.00 174.94 175.27 3f9k s ILE 74 N 1.18 5.18 -0.02 2.92 2.07 0.57 -0.80 121.20 132.31 3f9k s ILE 74 Ca 0.03 0.66 0.02 0.00 -1.41 0.00 0.00 60.65 59.96 3f9k s ILE 74 Cb -0.14 -3.63 0.00 0.00 0.13 0.00 0.00 42.46 38.82 3f9k s ILE 74 CO 0.02 0.56 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.83 3f9k s VAL 75 N -0.82 0.76 -0.04 4.00 1.01 0.46 -1.75 120.40 124.01 3f9k s VAL 75 Ca 0.21 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3f9k s VAL 75 Cb -0.15 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.57 3f9k s VAL 75 CO 0.10 0.24 -0.11 0.00 0.00 0.00 0.00 175.10 175.32 3f9k s ALA 76 N 0.15 1.13 -0.11 5.51 0.00 0.66 -0.73 121.76 128.37 3f9k s ALA 76 Ca -0.02 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.56 3f9k s ALA 76 Cb -0.08 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 3f9k s ALA 76 CO 0.00 0.15 -0.22 0.08 0.00 0.00 0.00 175.76 175.77 3f9k s VAL 77 N 0.38 2.19 -0.66 0.00 1.01 0.54 -0.76 120.40 123.10 3f9k s VAL 77 Ca -0.08 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 3f9k s VAL 77 Cb -0.12 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.43 3f9k s VAL 77 CO 0.02 0.55 1.30 -2.28 0.00 0.00 0.00 175.10 174.69 3f9k s HIS 78 N 0.43 2.35 0.22 5.22 2.46 0.23 -1.37 115.29 124.83 3f9k s HIS 78 Ca -0.16 0.19 -0.08 0.00 0.47 0.00 0.00 55.06 55.48 3f9k s HIS 78 Cb -0.17 -4.54 0.34 0.00 -0.13 0.00 0.00 32.58 28.07 3f9k s HIS 78 CO 0.07 -1.93 1.71 0.28 -2.47 0.00 0.00 174.74 172.40 3f9k h VAL 79 N 6.15 0.64 0.00 0.89 2.07 -1.75 0.14 116.25 124.39 3f9k h VAL 79 Ca -0.27 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3f9k h VAL 79 Cb 1.06 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3f9k h VAL 79 CO 1.24 0.06 -0.13 0.00 0.02 0.00 0.00 177.57 178.75 3f9k h ALA 80 N 1.50 1.47 0.00 1.67 0.00 -1.78 -3.30 119.26 118.82 3f9k h ALA 80 Ca 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3f9k h ALA 80 Cb 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3f9k h ALA 80 CO -0.41 0.17 -1.01 -1.13 0.00 0.00 0.00 179.25 176.88 3f9k n SER 81 N -3.93 4.97 0.00 0.00 3.41 -0.75 -3.76 113.62 113.56 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 0.23 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 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 2.54 0.51 3.74 5.00 0.00 0.41 -4.47 105.19 112.94 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 3.18 0.14 1.61 5.36 -1.24 -4.85 117.98 120.18 3f9k s PHE 83 Ca 0.00 1.22 0.09 0.00 -0.96 0.00 0.00 56.93 57.28 3f9k s PHE 83 Cb 0.00 -3.65 -0.04 0.00 -0.34 0.00 0.00 43.02 38.99 3f9k s PHE 83 CO 0.00 -2.01 -0.20 0.96 -1.46 0.00 0.00 175.22 172.51 3f9k s ILE 84 N -0.16 1.85 -0.03 3.12 -4.36 -1.26 -0.60 121.20 119.76 3f9k s ILE 84 Ca 0.56 -1.79 0.04 0.00 -0.26 0.00 0.00 60.65 59.19 3f9k s ILE 84 Cb -0.38 -1.78 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 3f9k s ILE 84 CO 0.42 -0.19 -0.15 -1.61 0.24 0.00 0.00 174.94 173.64 3f9k s GLU 85 N -2.45 1.44 0.04 0.37 0.41 0.06 -4.95 118.70 113.62 3f9k s GLU 85 Ca 0.13 -0.53 -0.14 0.00 -0.41 0.00 0.00 54.97 54.02 3f9k s GLU 85 Cb -0.08 -1.31 0.02 0.00 -1.78 0.00 0.00 34.13 30.98 3f9k s GLU 85 CO 0.06 0.25 0.31 0.00 -0.49 0.00 0.00 175.26 175.39 3f9k s ALA 86 N -0.08 -0.71 -0.10 5.21 0.00 -1.26 -0.25 121.76 124.57 3f9k s ALA 86 Ca -0.00 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 3f9k s ALA 86 Cb -0.09 0.30 0.08 0.00 0.00 0.00 0.00 23.12 23.42 3f9k s ALA 86 CO 0.01 -0.40 0.75 -2.00 0.00 0.00 0.00 175.76 174.12 3f9k s GLU 87 N -2.46 0.93 -0.07 0.00 2.12 -0.72 -4.71 118.70 113.80 3f9k s GLU 87 Ca -0.06 0.34 -0.24 0.00 0.36 0.00 0.00 54.97 55.37 3f9k s GLU 87 Cb -0.01 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 34.79 3f9k s GLU 87 CO -0.03 -0.27 0.75 0.08 -0.54 0.00 0.00 175.26 175.26 3f9k s VAL 88 N -0.93 5.01 0.01 3.70 1.01 -1.26 -0.31 120.40 127.63 3f9k s VAL 88 Ca -0.08 1.54 0.05 0.00 0.00 0.00 0.00 61.98 63.49 3f9k s VAL 88 Cb -0.01 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3f9k s VAL 88 CO 0.07 0.22 -0.11 0.27 0.00 0.00 0.00 175.10 175.55 3f9k s ILE 89 N 0.95 3.33 0.10 2.22 -4.36 0.07 -4.95 121.20 118.57 3f9k s ILE 89 Ca 0.40 -0.91 -0.24 0.00 -0.26 0.00 0.00 60.65 59.63 3f9k s ILE 89 Cb -0.18 -2.43 -0.10 0.00 1.25 0.00 0.00 42.46 41.00 3f9k s ILE 89 CO 0.19 0.39 1.69 1.55 0.24 0.00 0.00 174.94 179.00 3f9k h PRO 90 N 4.57 -0.23 -5.37 0.37 0.13 -1.98 -3.37 132.00 126.14 3f9k h PRO 90 Ca -0.48 0.02 -0.40 0.00 -0.87 0.00 0.00 66.00 64.26 3f9k h PRO 90 Cb 1.16 0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 3f9k h PRO 90 CO 0.51 -0.15 -0.75 -0.65 -0.23 0.00 0.00 178.00 176.73 3f9k s GLN 91 N -6.15 1.02 0.00 0.86 1.11 -1.26 -4.90 119.66 110.34 3f9k s GLN 91 Ca -0.14 -1.26 -0.03 0.00 0.01 0.00 0.00 55.36 53.93 3f9k s GLN 91 Cb 0.07 -0.86 -0.15 0.00 -1.01 0.00 0.00 33.01 31.06 3f9k s GLN 91 CO 0.66 0.16 2.78 -1.91 0.01 0.00 0.00 175.29 176.99 3f9k n GLU 92 N 0.46 1.48 -2.68 2.91 2.13 -1.26 -4.76 120.64 118.92 3f9k n GLU 92 Ca -0.15 -0.55 -0.27 0.00 0.66 0.00 0.00 57.16 56.85 3f9k n GLU 92 Cb 0.57 -1.58 -0.00 0.00 0.27 0.00 0.00 31.44 30.70 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 2.04 6.26 0.23 4.31 1.04 -1.26 -4.56 113.70 121.76 3f9k s SER 93 Ca 0.37 0.89 -0.07 0.00 0.48 0.00 0.00 55.95 57.62 3f9k s SER 93 Cb 0.18 -2.22 0.28 0.00 0.10 0.00 0.00 66.02 64.35 3f9k s SER 93 CO 0.00 -0.57 1.87 1.23 0.98 0.00 0.00 173.24 176.75 3f9k h GLY 94 N 0.25 1.25 0.85 7.32 0.00 -1.89 -2.55 103.07 108.30 3f9k h GLY 94 Ca -0.47 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 3f9k h GLY 94 CO 0.62 0.32 -0.13 -0.09 0.00 0.00 0.00 176.54 177.26 3f9k h ARG 95 N 1.02 -0.35 -0.80 4.80 2.43 -1.94 -0.74 114.38 118.80 3f9k h ARG 95 Ca 0.35 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.72 3f9k h ARG 95 Cb 0.06 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.58 3f9k h ARG 95 CO -0.14 -0.12 0.30 1.96 -1.51 0.00 0.00 179.97 180.46 3f9k h GLN 96 N -0.52 0.38 0.11 0.20 1.08 -1.83 0.13 115.11 114.65 3f9k h GLN 96 Ca -0.04 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3f9k h GLN 96 Cb 0.38 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3f9k h GLN 96 CO 0.06 0.25 -0.05 1.15 -0.95 0.00 0.00 178.83 179.29 3f9k h THR 97 N 0.39 0.95 -0.80 -0.54 2.02 -1.32 -1.96 112.91 111.64 3f9k h THR 97 Ca 0.46 -0.22 0.11 0.00 0.77 0.00 0.00 66.41 67.54 3f9k h THR 97 Cb 0.79 1.09 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 3f9k h THR 97 CO -0.48 0.05 0.43 0.00 0.37 0.00 0.00 175.52 175.89 3f9k h ALA 98 N 0.63 1.16 -0.05 6.16 0.00 0.04 0.30 119.26 127.50 3f9k h ALA 98 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3f9k h ALA 98 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3f9k h ALA 98 CO 0.02 -0.01 0.03 -0.07 0.00 0.00 0.00 179.25 179.23 3f9k h LEU 99 N 0.68 0.06 -0.52 0.00 -0.00 -0.88 -1.46 115.31 113.19 3f9k h LEU 99 Ca 0.41 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 58.33 3f9k h LEU 99 Cb 0.47 -0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.07 3f9k h LEU 99 CO -0.30 0.06 0.24 0.15 -0.00 0.00 0.00 178.44 178.59 3f9k h PHE 100 N 0.06 0.43 -0.44 1.13 3.57 -0.54 -1.24 116.94 119.91 3f9k h PHE 100 Ca 0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3f9k h PHE 100 Cb 0.00 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 3f9k h PHE 100 CO -0.07 0.19 0.17 1.25 -2.23 0.00 0.00 178.31 177.62 3f9k h LEU 101 N 0.46 0.20 -1.21 0.59 6.46 -0.79 -1.58 115.31 119.44 3f9k h LEU 101 Ca 0.24 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 3f9k h LEU 101 Cb 0.18 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 3f9k h LEU 101 CO -0.19 0.15 0.54 -0.07 -0.62 0.00 0.00 178.44 178.25 3f9k h LEU 102 N 0.35 0.92 0.14 2.25 3.38 -0.35 0.14 115.31 122.14 3f9k h LEU 102 Ca 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3f9k h LEU 102 Cb 0.18 -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 -0.07 0.11 0.09 0.00 0.00 178.44 179.04 3f9k h LYS 103 N 1.08 -0.18 -0.29 1.13 1.57 -0.72 -1.91 116.57 117.25 3f9k h LYS 103 Ca 0.30 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.16 3f9k h LYS 103 Cb -0.10 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 3f9k h LYS 103 CO -0.07 -0.06 -0.13 1.25 -0.57 0.00 0.00 179.45 179.88 3f9k h LEU 104 N -0.27 -0.44 -1.17 2.94 5.85 -0.70 -1.89 115.31 119.63 3f9k h LEU 104 Ca -0.02 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3f9k h LEU 104 Cb 0.21 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3f9k h LEU 104 CO 0.03 -0.16 0.00 0.00 -0.34 0.00 0.00 178.44 177.97 3f9k h ALA 105 N 1.17 1.00 -0.00 1.25 0.00 -0.62 -1.86 119.26 120.19 3f9k h ALA 105 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3f9k h ALA 105 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 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 -2.46 0.31 0.00 0.00 3.41 -0.71 -4.20 113.62 109.97 3f9k n SER 106 Ca 0.01 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3f9k n SER 106 Cb 0.19 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.15 0.00 -4.30 4.33 1.74 -0.82 -5.09 116.66 111.38 3f9k n ARG 107 Ca 0.13 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 3f9k n ARG 107 Cb 0.28 -0.88 -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 -2.00 2.55 0.08 -1.55 0.52 -0.77 -5.10 118.94 112.69 3f9k s TRP 108 Ca 0.00 -0.25 -0.31 0.00 0.02 0.00 0.00 56.10 55.56 3f9k s TRP 108 Cb 0.00 -1.35 -0.08 0.00 -1.15 0.00 0.00 33.47 30.90 3f9k s TRP 108 CO 0.00 0.40 1.44 -1.25 0.02 0.00 0.00 176.95 177.55 3f9k s PRO 109 N -2.18 4.29 -0.15 4.98 0.04 -1.26 -4.53 135.00 136.19 3f9k s PRO 109 Ca 0.18 2.10 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 31.10 3f9k s PRO 109 CO 0.11 -0.52 -0.10 0.42 0.04 0.00 0.00 177.00 176.94 3f9k s ILE 110 N 1.63 1.34 -0.26 0.56 1.01 -1.26 -4.57 121.20 119.64 3f9k s ILE 110 Ca 0.66 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 3f9k s ILE 110 Cb -0.36 -1.35 -0.15 0.00 0.01 0.00 0.00 42.46 40.61 3f9k s ILE 110 CO 0.30 0.33 -0.26 0.41 0.00 0.00 0.00 174.94 175.72 3f9k n THR 111 N 4.83 1.52 -3.88 2.92 -1.04 0.11 -4.64 114.28 114.09 3f9k n THR 111 Ca -0.14 -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 0.31 -0.18 -1.42 5.65 -0.56 -0.54 115.29 116.05 3f9k s HIS 112 Ca -0.36 0.01 0.01 0.00 0.25 0.00 0.00 55.06 54.97 3f9k s HIS 112 Cb 0.12 -0.45 0.02 0.00 -1.18 0.00 0.00 32.58 31.09 3f9k s HIS 112 CO 0.55 -0.15 -0.19 -1.17 -0.65 0.00 0.00 174.74 173.13 3f9k s LEU 113 N 1.23 2.10 -0.13 8.88 0.20 0.21 -0.90 118.68 130.27 3f9k s LEU 113 Ca -0.07 -0.65 0.02 0.00 0.69 0.00 0.00 54.13 54.12 3f9k s LEU 113 Cb -0.13 -1.43 -0.00 0.00 -0.43 0.00 0.00 46.19 44.19 3f9k s LEU 113 CO -0.02 -0.02 -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 -1.29 115.29 125.52 3f9k s HIS 114 Ca 0.05 -1.01 0.04 0.00 0.47 0.00 0.00 55.06 54.60 3f9k s HIS 114 Cb -0.13 -1.80 -0.04 0.00 -0.13 0.00 0.00 32.58 30.48 3f9k s HIS 114 CO -0.12 -0.42 0.18 0.95 -2.47 0.00 0.00 174.74 172.85 3f9k s THR 115 N 0.55 0.23 0.00 0.89 -4.23 -0.82 -2.64 115.64 109.62 3f9k s THR 115 Ca -0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 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 0.04 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.22 3f9k n ASP 116 N -1.00 -0.20 -1.04 3.99 5.68 -1.26 -0.35 116.55 122.37 3f9k n ASP 116 Ca 0.02 -0.59 0.08 0.00 -0.50 0.00 0.00 54.79 53.80 3f9k n ASP 116 Cb 0.64 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 -2.08 3.01 -4.52 -1.12 4.13 -1.26 -4.29 115.26 109.12 3f9k n ASN 117 Ca 0.00 -2.05 -0.51 0.00 1.68 0.00 0.00 54.58 53.70 3f9k n ASN 117 Cb 0.00 -0.38 -0.05 0.00 -1.54 0.00 0.00 39.78 37.81 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 1.30 -0.41 0.32 7.41 0.00 -1.26 -4.66 105.19 107.89 3f9k n GLY 118 Ca 0.18 0.55 0.17 0.00 0.00 0.00 0.00 46.02 46.92 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 2.77 1.46 -0.39 4.61 0.00 -1.94 0.59 119.26 126.36 3f9k h ALA 119 Ca -0.42 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3f9k h ALA 119 Cb 1.38 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 3f9k h ALA 119 CO 0.66 -0.56 0.02 -2.95 0.00 0.00 0.00 179.25 176.42 3f9k h ASN 120 N 0.16 0.56 0.60 0.00 -1.07 -1.88 -1.12 115.58 112.83 3f9k h ASN 120 Ca 0.62 -0.11 -0.24 0.00 0.07 0.00 0.00 56.30 56.64 3f9k h ASN 120 Cb 1.35 -0.15 -0.00 0.00 -2.07 0.00 0.00 38.32 37.45 3f9k h ASN 120 CO -0.71 0.62 -1.09 -0.26 0.07 0.00 0.00 177.43 176.05 3f9k h PHE 121 N 0.57 0.43 -0.02 4.14 0.04 -1.23 -3.11 116.94 117.77 3f9k h PHE 121 Ca 0.12 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.61 3f9k h PHE 121 Cb 0.33 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3f9k h PHE 121 CO 0.01 1.17 0.00 0.25 -0.60 0.00 0.00 178.31 179.14 3f9k n THR 122 N -3.58 0.02 -0.59 -1.55 -2.24 -0.92 -4.72 114.28 100.69 3f9k n THR 122 Ca -0.06 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 3f9k n THR 122 Cb 0.94 0.30 0.23 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.96 1.48 0.03 3.42 1.04 -0.44 -4.87 113.70 112.41 3f9k s SER 123 Ca 0.39 1.70 -0.19 0.00 0.48 0.00 0.00 55.95 58.33 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 0.33 -3.92 1.25 -0.61 0.98 0.00 0.00 173.24 171.27 3f9k h GLN 124 N -2.43 0.43 -0.75 4.02 5.75 -1.88 -2.78 115.11 117.46 3f9k h GLN 124 Ca -0.57 -0.31 0.11 0.00 -0.15 0.00 0.00 58.65 57.74 3f9k h GLN 124 Cb 1.32 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.84 3f9k h GLN 124 CO 0.48 0.93 0.37 0.93 -2.65 0.00 0.00 178.83 178.89 3f9k h GLU 125 N 0.00 0.57 -0.22 1.69 3.07 -1.93 -0.77 114.58 117.01 3f9k h GLU 125 Ca -0.01 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 3f9k h GLU 125 Cb 0.96 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.73 3f9k h GLU 125 CO 0.07 0.38 -0.07 0.28 -1.40 0.00 0.00 179.01 178.27 3f9k h VAL 126 N 0.59 1.29 -0.90 3.13 2.07 -1.77 -2.58 116.25 118.07 3f9k h VAL 126 Ca 0.39 -1.09 0.13 0.00 0.82 0.00 0.00 66.70 66.95 3f9k h VAL 126 Cb 0.47 1.56 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 3f9k h VAL 126 CO -0.31 0.33 0.52 0.11 0.02 0.00 0.00 177.57 178.24 3f9k h LYS 127 N 0.15 0.77 0.17 1.57 1.57 -1.10 0.12 116.57 119.81 3f9k h LYS 127 Ca 0.05 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f9k h LYS 127 Cb 0.54 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3f9k h LYS 127 CO 0.02 0.51 -0.11 0.52 -0.57 0.00 0.00 179.45 179.82 3f9k h MET 128 N 0.79 -0.26 -0.35 3.15 2.86 -1.01 0.11 114.93 120.23 3f9k h MET 128 Ca 0.47 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.16 3f9k h MET 128 Cb 0.56 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 3f9k h MET 128 CO -0.31 -0.17 0.13 0.28 1.06 0.00 0.00 176.91 177.91 3f9k h VAL 129 N -0.27 0.92 -0.63 -2.22 2.07 -1.03 0.99 116.25 116.09 3f9k h VAL 129 Ca -0.01 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.48 3f9k h VAL 129 Cb 0.23 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 3f9k h VAL 129 CO 0.01 0.05 0.32 0.00 0.02 0.00 0.00 177.57 177.97 3f9k h ALA 130 N 1.21 0.84 -0.32 1.67 0.00 -0.75 -0.11 119.26 121.80 3f9k h ALA 130 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3f9k h ALA 130 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3f9k h ALA 130 CO -0.14 -0.05 0.12 2.35 0.00 0.00 0.00 179.25 181.53 3f9k h TRP 131 N 0.57 0.49 -0.29 0.00 7.01 -0.18 0.30 115.95 123.85 3f9k h TRP 131 Ca 0.29 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 3f9k h TRP 131 Cb 0.25 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 3f9k h TRP 131 CO -0.11 0.47 0.10 2.35 -2.79 0.00 0.00 178.44 178.46 3f9k h TRP 132 N 0.36 0.46 0.00 2.65 7.01 -0.13 -2.67 115.95 123.64 3f9k h TRP 132 Ca 0.11 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 3f9k h TRP 132 Cb 0.19 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 3f9k h TRP 132 CO -0.00 0.47 -0.14 0.82 -2.79 0.00 0.00 178.44 176.80 3f9k h ILE 133 N 0.31 0.25 -2.31 2.65 5.03 -1.09 -3.48 117.51 118.87 3f9k h ILE 133 Ca 0.10 -1.22 0.00 0.00 -0.12 0.00 0.00 64.86 63.61 3f9k h ILE 133 Cb 0.22 2.00 0.00 0.00 -3.03 0.00 0.00 36.82 36.01 3f9k h ILE 133 CO -0.01 0.14 0.00 0.61 -0.68 0.00 0.00 178.15 178.21 3f9k n GLY 134 N 0.88 0.77 3.33 5.37 0.00 0.24 -5.04 105.19 110.73 3f9k n GLY 134 Ca 0.03 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.82 2.60 -0.15 -0.61 1.01 0.81 -4.82 121.20 117.21 3f9k s ILE 135 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 3f9k s ILE 135 Cb 0.00 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 3f9k s ILE 135 CO 0.00 0.55 1.23 -0.70 0.00 0.00 0.00 174.94 176.03 3f9k s GLU 136 N 0.09 4.25 0.01 2.79 2.12 0.30 -4.62 118.70 123.65 3f9k s GLU 136 Ca -0.08 1.64 -0.13 0.00 0.36 0.00 0.00 54.97 56.76 3f9k s GLU 136 Cb -0.15 -3.72 -0.06 0.00 0.26 0.00 0.00 34.13 30.46 3f9k s GLU 136 CO 0.05 -0.66 0.38 -0.65 -0.54 0.00 0.00 175.26 173.84 3f9k s GLN 137 N 3.29 3.83 -0.02 4.30 -0.21 -1.26 -0.62 119.66 128.97 3f9k s GLN 137 Ca 0.54 0.30 0.01 0.00 0.02 0.00 0.00 55.36 56.23 3f9k s GLN 137 Cb -0.22 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 30.65 3f9k s GLN 137 CO 0.15 0.66 -0.02 -1.12 -2.12 0.00 0.00 175.29 172.84 3f9k s SER 138 N -1.26 0.46 -0.12 5.90 0.01 -0.41 -4.95 113.70 113.32 3f9k s SER 138 Ca 0.26 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.47 3f9k s SER 138 Cb -0.16 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 3f9k s SER 138 CO 0.14 -0.03 -0.16 -0.36 0.41 0.00 0.00 173.24 173.24 3f9k s PHE 139 N 0.51 2.74 0.00 2.43 0.08 -1.26 -1.95 117.98 120.53 3f9k s PHE 139 Ca -0.05 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.24 3f9k s PHE 139 Cb -0.08 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.56 3f9k s PHE 139 CO -0.01 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.25 3f9k n GLY 140 N 3.53 1.88 3.76 4.36 0.00 0.52 -4.60 105.19 114.64 3f9k n GLY 140 Ca -0.18 -0.45 -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 2.54 0.16 1.61 -7.23 -1.26 -4.19 120.40 112.03 3f9k s VAL 141 Ca 0.00 0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 60.46 3f9k s VAL 141 Cb 0.00 -3.18 -0.06 0.00 0.56 0.00 0.00 36.38 33.70 3f9k s VAL 141 CO 0.00 -0.03 0.46 -2.16 -0.31 0.00 0.00 175.10 173.06 3f9k s PRO 142 N -3.01 3.76 0.09 4.82 0.04 -1.26 -5.17 135.00 134.27 3f9k s PRO 142 Ca 0.72 0.17 -0.02 0.00 0.04 0.00 0.00 61.00 61.90 3f9k s PRO 142 Cb -0.34 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 3f9k s PRO 142 CO 0.39 0.44 0.28 0.71 0.04 0.00 0.00 177.00 178.86 3f9k s TYR 143 N -1.63 3.50 0.72 0.56 1.51 -1.26 -4.98 117.35 115.78 3f9k s TYR 143 Ca 0.41 0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 56.69 3f9k s TYR 143 Cb -0.13 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 3f9k s TYR 143 CO 0.21 0.52 0.74 0.09 -1.11 0.00 0.00 175.55 176.01 3f9k n ASN 144 N 0.22 -0.38 -4.77 2.29 3.02 -1.26 -4.87 115.26 109.50 3f9k n ASN 144 Ca -0.04 0.63 -0.34 0.00 -0.03 0.00 0.00 54.58 54.80 3f9k n ASN 144 Cb 0.51 -1.31 0.04 0.00 -0.61 0.00 0.00 39.78 38.41 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 -3.05 2.93 -1.42 3.52 0.02 -1.26 -3.17 135.00 132.57 3f9k s PRO 145 Ca 0.69 1.51 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3f9k s PRO 145 Cb -0.35 -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 0.00 177.00 176.05 3f9k n GLN 146 N -2.04 -1.72 0.00 5.54 -0.00 -1.26 -4.66 117.38 113.23 3f9k n GLN 146 Ca 0.11 0.80 0.00 0.00 -0.00 0.00 0.00 57.00 57.91 3f9k n GLN 146 Cb 0.51 -5.26 0.00 0.00 -0.00 0.00 0.00 30.24 25.49 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 -1.33 0.00 -4.71 2.61 3.41 -1.19 -4.92 113.62 107.49 3f9k n SER 147 Ca -0.16 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.02 3f9k n SER 147 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 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 4.28 -0.84 4.33 2.00 -1.22 -3.76 119.66 124.45 3f9k s GLN 148 Ca 0.00 2.15 0.00 0.00 -2.00 0.00 0.00 55.36 55.51 3f9k s GLN 148 Cb 0.00 -3.30 0.00 0.00 0.80 0.00 0.00 33.01 30.51 3f9k s GLN 148 CO 0.00 -0.52 0.00 0.41 -0.50 0.00 0.00 175.29 174.68 3f9k n GLY 149 N 3.62 0.35 0.08 2.59 0.00 -1.26 -4.95 105.19 105.62 3f9k n GLY 149 Ca 0.13 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 1.27 -0.07 1.61 2.07 -1.98 -2.38 116.25 116.77 3f9k h VAL 150 Ca -0.21 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.48 3f9k h VAL 150 Cb 0.97 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 3f9k h VAL 150 CO 0.26 0.24 -0.12 0.58 0.02 0.00 0.00 177.57 178.55 3f9k h VAL 151 N -0.16 0.68 -0.75 2.57 2.07 -1.90 -0.57 116.25 118.18 3f9k h VAL 151 Ca 0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.69 3f9k h VAL 151 Cb 0.38 0.68 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 3f9k h VAL 151 CO 0.01 0.00 0.28 -0.33 0.02 0.00 0.00 177.57 177.55 3f9k h GLU 152 N -0.17 0.40 -0.17 1.57 3.07 -1.96 0.46 114.58 117.78 3f9k h GLU 152 Ca 0.07 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3f9k h GLU 152 Cb 0.27 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 3f9k h GLU 152 CO -0.17 0.27 0.11 0.00 -1.40 0.00 0.00 179.01 177.81 3f9k h ALA 153 N 1.56 0.21 -0.61 3.43 0.00 -0.87 -2.93 119.26 120.05 3f9k h ALA 153 Ca 0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3f9k h ALA 153 Cb 0.65 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3f9k h ALA 153 CO -0.42 -0.30 0.28 0.52 0.00 0.00 0.00 179.25 179.33 3f9k h MET 154 N 0.22 0.87 -0.58 0.00 2.86 0.71 -1.21 114.93 117.81 3f9k h MET 154 Ca 0.06 -0.12 0.12 0.00 -2.06 0.00 0.00 59.70 57.70 3f9k h MET 154 Cb -0.02 -0.16 -0.11 0.00 0.06 0.00 0.00 31.60 31.36 3f9k h MET 154 CO -0.01 0.69 -0.20 -0.91 1.06 0.00 0.00 176.91 177.54 3f9k h ASN 155 N 0.87 -0.70 0.40 1.22 2.35 -0.03 0.61 115.58 120.31 3f9k h ASN 155 Ca 0.21 0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 3f9k h ASN 155 Cb 0.11 0.42 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3f9k h ASN 155 CO -0.03 -0.23 -0.26 -0.74 -1.65 0.00 0.00 177.43 174.53 3f9k h HIS 156 N -0.05 -0.68 -0.97 1.19 -0.00 -1.18 -1.64 115.15 111.82 3f9k h HIS 156 Ca 0.27 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.67 3f9k h HIS 156 Cb 0.47 0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 28.07 3f9k h HIS 156 CO -0.52 -0.40 0.64 0.45 -0.00 0.00 0.00 177.93 178.10 3f9k h HIS 157 N -0.64 1.20 -0.63 5.26 3.86 -0.48 -0.12 115.15 123.60 3f9k h HIS 157 Ca -0.04 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 3f9k h HIS 157 Cb 0.53 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 3f9k h HIS 157 CO -0.10 0.71 0.25 1.25 0.86 0.00 0.00 177.93 180.90 3f9k h LEU 158 N 1.25 0.87 -0.78 2.43 5.85 0.30 -1.31 115.31 123.91 3f9k h LEU 158 Ca 0.38 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3f9k h LEU 158 Cb -0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3f9k h LEU 158 CO -0.11 0.80 0.29 0.11 -0.34 0.00 0.00 178.44 179.19 3f9k h LYS 159 N 0.88 1.18 -0.68 1.25 1.57 -0.44 0.95 116.57 121.28 3f9k h LYS 159 Ca 0.21 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3f9k h LYS 159 Cb 0.20 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3f9k h LYS 159 CO -0.02 0.97 0.39 -0.91 -0.57 0.00 0.00 179.45 179.32 3f9k h ASN 160 N 1.15 0.61 -0.25 0.86 2.35 -0.74 0.08 115.58 119.64 3f9k h ASN 160 Ca 0.26 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.99 3f9k h ASN 160 Cb 0.25 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3f9k h ASN 160 CO -0.02 0.40 0.02 -0.61 -1.65 0.00 0.00 177.43 175.58 3f9k h GLN 161 N 0.74 0.42 -0.91 0.81 5.75 -0.68 -2.11 115.11 119.14 3f9k h GLN 161 Ca 0.29 -0.12 0.10 0.00 -0.15 0.00 0.00 58.65 58.77 3f9k h GLN 161 Cb 0.13 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.57 3f9k h GLN 161 CO -0.15 0.57 0.58 0.82 -2.65 0.00 0.00 178.83 178.00 3f9k h ILE 162 N 0.21 0.95 -0.38 2.39 2.04 -0.54 -2.03 117.51 120.15 3f9k h ILE 162 Ca 0.07 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3f9k h ILE 162 Cb 0.36 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3f9k h ILE 162 CO 0.01 0.16 0.14 -1.28 0.00 0.00 0.00 178.15 177.18 3f9k h SER 163 N 0.88 0.54 -0.40 1.72 0.87 -0.63 -0.50 113.55 116.03 3f9k h SER 163 Ca 0.43 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.84 3f9k h SER 163 Cb 0.44 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3f9k h SER 163 CO -0.19 0.58 0.27 0.03 -0.53 0.00 0.00 176.83 176.99 3f9k h ARG 164 N 0.47 0.39 -0.15 2.24 3.08 -0.70 -2.59 114.38 117.13 3f9k h ARG 164 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3f9k h ARG 164 Cb 0.22 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.18 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 -4.48 1.99 -0.12 2.04 -5.35 -1.08 -4.83 119.36 107.54 3f9k n ILE 165 Ca 0.04 -1.94 -0.05 0.00 -0.27 0.00 0.00 62.75 60.53 3f9k n ILE 165 Cb 0.17 -0.17 0.01 0.00 -1.74 0.00 0.00 39.64 37.92 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 1.00 -0.11 -0.99 6.28 1.12 -0.67 -2.31 114.38 118.71 3f9k h ARG 166 Ca 0.00 0.01 -0.23 0.00 -1.11 0.00 0.00 59.98 58.65 3f9k h ARG 166 Cb 1.18 0.03 -0.14 0.00 -0.01 0.00 0.00 29.97 31.03 3f9k h ARG 166 CO 0.11 -0.08 0.29 -0.85 -3.11 0.00 0.00 179.97 176.33 3f9k n GLU 167 N -5.37 1.68 0.01 0.20 0.28 -1.26 -3.47 120.64 112.71 3f9k n GLU 167 Ca 0.02 -1.42 0.11 0.00 -0.16 0.00 0.00 57.16 55.71 3f9k n GLU 167 Cb 0.28 -1.58 -0.08 0.00 1.43 0.00 0.00 31.44 31.49 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 0.33 -3.76 3.44 6.02 -0.87 -4.97 117.38 117.33 3f9k n GLN 168 Ca 0.27 -0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 57.09 3f9k n GLN 168 Cb 1.03 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 30.67 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 -3.24 -0.64 -0.05 -1.58 0.00 -1.23 -5.11 121.76 109.92 3f9k s ALA 169 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 3f9k s ALA 169 Cb 0.15 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 3f9k s ALA 169 CO 0.86 -0.44 -0.02 -0.91 0.00 0.00 0.00 175.76 175.25 3f9k h ASN 170 N 3.12 0.00 -4.03 0.00 2.35 -1.93 -3.48 115.58 111.61 3f9k h ASN 170 Ca -0.32 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.91 3f9k h ASN 170 Cb 1.20 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.67 3f9k h ASN 170 CO 0.47 0.24 0.52 0.42 -1.65 0.00 0.00 177.43 177.43 3f9k s THR 171 N -1.31 2.70 0.20 2.81 -4.23 -1.26 -4.94 115.64 109.61 3f9k s THR 171 Ca -0.02 0.52 0.05 0.00 -1.18 0.00 0.00 61.69 61.06 3f9k s THR 171 Cb 0.00 -3.25 -0.10 0.00 1.34 0.00 0.00 72.50 70.48 3f9k s THR 171 CO 0.02 -0.02 1.46 0.40 -0.54 0.00 0.00 174.62 175.95 3f9k h ILE 172 N 1.60 1.48 -0.78 2.99 2.04 -1.97 -2.43 117.51 120.43 3f9k h ILE 172 Ca -0.50 -2.43 0.18 0.00 1.00 0.00 0.00 64.86 63.12 3f9k h ILE 172 Cb 1.27 2.32 -0.12 0.00 -0.74 0.00 0.00 36.82 39.54 3f9k h ILE 172 CO 0.59 0.71 0.14 -0.33 0.00 0.00 0.00 178.15 179.25 3f9k h GLU 173 N 0.09 0.20 0.01 2.37 3.07 -1.97 -1.45 114.58 116.90 3f9k h GLU 173 Ca -0.02 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 3f9k h GLU 173 Cb 1.34 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 29.22 3f9k h GLU 173 CO 0.11 0.13 -0.41 1.15 -1.40 0.00 0.00 179.01 178.60 3f9k h THR 174 N 0.20 1.52 -0.84 1.13 2.02 -1.94 -3.33 112.91 111.67 3f9k h THR 174 Ca 0.45 -2.07 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 3f9k h THR 174 Cb 0.82 2.80 -0.04 0.00 -1.74 0.00 0.00 68.15 69.99 3f9k h THR 174 CO -0.60 0.58 0.48 -0.29 0.37 0.00 0.00 175.52 176.06 3f9k h ILE 175 N -0.39 1.24 0.42 3.11 6.09 -0.95 -2.55 117.51 124.47 3f9k h ILE 175 Ca -0.05 -0.55 -0.01 0.00 -1.37 0.00 0.00 64.86 62.87 3f9k h ILE 175 Cb 1.17 0.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 3f9k h ILE 175 CO 0.08 0.26 -0.30 0.58 -3.07 0.00 0.00 178.15 175.70 3f9k h VAL 176 N 1.16 0.38 -0.79 2.19 2.07 -1.42 -0.25 116.25 119.59 3f9k h VAL 176 Ca 0.30 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.92 3f9k h VAL 176 Cb -0.01 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 3f9k h VAL 176 CO -0.05 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 177.98 3f9k h LEU 177 N -0.71 0.62 -0.14 2.57 3.38 -1.62 0.14 115.31 119.55 3f9k h LEU 177 Ca -0.04 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3f9k h LEU 177 Cb 0.60 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3f9k h LEU 177 CO 0.01 0.36 -0.01 0.24 0.09 0.00 0.00 178.44 179.13 3f9k h MET 178 N 0.68 0.26 -0.62 1.13 2.86 -1.15 -2.49 114.93 115.61 3f9k h MET 178 Ca 0.37 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.96 3f9k h MET 178 Cb 0.51 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 3f9k h MET 178 CO -0.14 0.52 0.35 0.00 1.06 0.00 0.00 176.91 178.70 3f9k h ALA 179 N 0.73 0.81 -0.59 6.32 0.00 0.41 -2.21 119.26 124.73 3f9k h ALA 179 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3f9k h ALA 179 Cb 0.41 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3f9k h ALA 179 CO 0.01 0.05 0.31 0.28 0.00 0.00 0.00 179.25 179.90 3f9k h VAL 180 N 0.68 0.95 -0.57 0.00 2.07 -0.76 -0.96 116.25 117.66 3f9k h VAL 180 Ca 0.26 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.65 3f9k h VAL 180 Cb 0.11 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 3f9k h VAL 180 CO -0.14 0.11 0.25 -0.74 0.02 0.00 0.00 177.57 177.06 3f9k h HIS 181 N 0.58 0.45 -0.44 1.57 6.17 -0.94 -1.21 115.15 121.34 3f9k h HIS 181 Ca 0.27 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.37 3f9k h HIS 181 Cb 0.18 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 29.97 3f9k h HIS 181 CO -0.10 0.18 0.29 0.00 0.71 0.00 0.00 177.93 179.01 3f9k h MET 183 N 0.59 0.00 0.00 0.00 2.86 -0.54 0.24 114.93 118.09 3f9k h MET 183 Ca 0.16 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.62 3f9k h MET 183 Cb -0.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3f9k h MET 183 CO -0.03 0.26 -1.73 0.09 1.06 0.00 0.00 176.91 176.56 3f9k n ASN 184 N -3.57 0.52 0.00 1.22 3.02 -0.52 -4.55 115.26 111.39 3f9k n ASN 184 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3f9k n ASN 184 Cb 0.40 0.66 0.00 0.00 -0.61 0.00 0.00 39.78 40.23 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 0.18 3.10 3.72 -0.50 -2.01 117.46 119.20 3f9k n PHE 185 Ca -0.14 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.30 3f9k n PHE 185 Cb 0.86 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.46 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 -1.20 1.06 -4.50 -1.08 4.76 0.85 -4.95 118.16 113.10 3f9k n LYS 186 Ca 0.00 -1.29 -0.23 0.00 -2.87 0.00 0.00 58.31 53.91 3f9k n LYS 186 Cb 0.00 -1.17 -0.14 0.00 -1.84 0.00 0.00 35.03 31.88 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 -0.79 1.20 -0.01 1.97 1.70 -1.21 -2.52 118.95 119.29 3f9k s ARG 187 Ca 0.12 -0.90 -0.02 0.00 -0.47 0.00 0.00 55.73 54.47 3f9k s ARG 187 Cb 0.07 -1.29 -0.00 0.00 -0.57 0.00 0.00 34.95 33.16 3f9k s ARG 187 CO 0.11 0.32 0.04 0.50 -1.08 0.00 0.00 175.30 175.18 3f9k s ARG 188 N -1.23 0.14 0.00 3.89 3.52 -1.26 -4.20 118.95 119.80 3f9k s ARG 188 Ca 0.05 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.53 3f9k s ARG 188 Cb -0.09 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 3f9k s ARG 188 CO 0.02 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 3f9k n GLY 189 N 2.61 -0.62 7.00 8.12 0.00 -1.02 -4.49 105.19 116.79 3f9k n GLY 189 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.48 0.33 -0.02 0.00 -1.26 -1.92 105.19 102.80 3f9k n GLY 190 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.83 117.51 114.64 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 -1.27 2.80 3.61 0.16 0.00 -1.26 -4.95 105.19 104.28 3f9k n GLY 192 Ca -0.02 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 0.94 -2.71 -4.59 1.61 10.43 -1.07 -5.01 116.55 116.15 3f9k n ASP 193 Ca 0.20 -0.83 -0.27 0.00 2.57 0.00 0.00 54.79 56.47 3f9k n ASP 193 Cb 0.65 -4.17 -0.11 0.00 1.84 0.00 0.00 41.12 39.33 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 -5.71 1.90 0.45 -1.24 0.23 -0.81 -4.45 119.30 109.68 3f9k s MET 194 Ca 0.15 -2.01 -0.16 0.00 -1.03 0.00 0.00 55.69 52.64 3f9k s MET 194 Cb -0.04 -1.69 -0.08 0.00 -1.53 0.00 0.00 34.83 31.49 3f9k s MET 194 CO 0.80 0.04 0.91 0.95 -2.03 0.00 0.00 175.02 175.70 3f9k s THR 195 N -2.65 4.57 0.35 3.16 -4.23 -1.26 -2.43 115.64 113.14 3f9k s THR 195 Ca 0.34 1.13 0.12 0.00 -1.18 0.00 0.00 61.69 62.10 3f9k s THR 195 Cb 0.06 -3.68 0.34 0.00 1.34 0.00 0.00 72.50 70.56 3f9k s THR 195 CO 0.17 -0.52 1.76 -0.65 -0.54 0.00 0.00 174.62 174.84 3f9k h PRO 196 N 1.35 0.52 0.80 3.99 0.11 -1.75 0.12 132.00 137.14 3f9k h PRO 196 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3f9k h PRO 196 Cb 1.18 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.18 3f9k h PRO 196 CO 0.62 0.34 -0.39 1.03 -0.21 0.00 0.00 178.00 179.39 3f9k h SER 197 N 0.54 -0.94 -0.72 -2.05 0.87 -1.74 -0.97 113.55 108.54 3f9k h SER 197 Ca 0.61 0.04 0.15 0.00 -1.23 0.00 0.00 61.79 61.36 3f9k h SER 197 Cb 1.28 0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 63.38 3f9k h SER 197 CO -0.39 -0.66 0.16 -0.33 -0.53 0.00 0.00 176.83 175.08 3f9k h GLU 198 N -1.09 0.25 -0.09 2.24 5.08 -1.46 -0.06 114.58 119.45 3f9k h GLU 198 Ca -0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3f9k h GLU 198 Cb 0.84 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3f9k h GLU 198 CO 0.17 0.17 0.05 -0.09 -1.00 0.00 0.00 179.01 178.31 3f9k h ARG 199 N 0.26 0.13 0.07 2.33 2.43 -0.89 -0.46 114.38 118.25 3f9k h ARG 199 Ca 0.40 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3f9k h ARG 199 Cb 0.68 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3f9k h ARG 199 CO -0.50 0.16 -0.04 1.25 -1.51 0.00 0.00 179.97 179.33 3f9k h LEU 200 N 0.06 -0.08 -0.56 3.80 5.85 -0.39 -0.78 115.31 123.19 3f9k h LEU 200 Ca 0.03 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.72 3f9k h LEU 200 Cb 0.07 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3f9k h LEU 200 CO -0.01 0.03 0.28 0.40 -0.34 0.00 0.00 178.44 178.81 3f9k h ILE 201 N -0.19 0.93 -0.69 4.05 5.03 -1.00 -1.57 117.51 124.07 3f9k h ILE 201 Ca -0.01 -0.18 -0.02 0.00 -0.12 0.00 0.00 64.86 64.53 3f9k h ILE 201 Cb 0.16 0.35 -0.03 0.00 -3.03 0.00 0.00 36.82 34.27 3f9k h ILE 201 CO 0.02 0.10 0.36 -1.13 -0.68 0.00 0.00 178.15 176.82 3f9k h ASN 202 N 0.54 0.87 -0.68 1.72 -1.24 -0.92 -2.04 115.58 113.83 3f9k h ASN 202 Ca 0.25 -0.11 -0.06 0.00 0.71 0.00 0.00 56.30 57.10 3f9k h ASN 202 Cb 0.18 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 3f9k h ASN 202 CO -0.18 0.73 0.20 0.24 -1.29 0.00 0.00 177.43 177.12 3f9k h MET 203 N 0.94 1.08 -0.42 6.67 2.86 -0.72 -1.80 114.93 123.54 3f9k h MET 203 Ca 0.24 -0.23 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3f9k h MET 203 Cb 0.06 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3f9k h MET 203 CO -0.04 0.93 -0.02 0.82 1.06 0.00 0.00 176.91 179.66 3f9k h ILE 204 N 1.03 1.23 0.00 -1.22 2.04 -0.94 -2.76 117.51 116.90 3f9k h ILE 204 Ca 0.22 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 3f9k h ILE 204 Cb 0.32 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3f9k h ILE 204 CO -0.00 0.34 -0.23 0.74 0.00 0.00 0.00 178.15 179.00 3f9k h THR 205 N 0.65 0.42 0.00 -0.27 2.02 -1.08 -3.27 112.91 111.38 3f9k h THR 205 Ca 0.13 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.86 3f9k h THR 205 Cb 0.44 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3f9k h THR 205 CO 0.02 0.22 0.00 0.41 0.37 0.00 0.00 175.52 176.54 3f9k n THR 206 N -3.19 0.16 0.47 3.16 -1.04 -0.70 -5.11 114.28 108.03 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 0.58 -0.51 0.05 0.00 -1.82 0.00 0.00 70.33 68.63 3f9k n THR 206 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81