#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9k h LEU 2 N 0.00 0.00 -1.84 7.52 -0.00 -2.04 -2.80 115.31 116.15 3f9k h LEU 2 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.97 3f9k h LEU 2 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3f9k h LEU 2 CO 0.00 0.00 0.48 -0.33 -0.00 0.00 0.00 178.44 178.59 3f9k h GLU 3 N 0.00 0.00 0.00 0.17 4.39 -2.04 -1.76 114.58 115.33 3f9k h GLU 3 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3f9k h GLU 3 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3f9k h GLU 3 CO 0.00 0.00 -1.46 1.63 -1.16 0.00 0.00 179.01 178.02 3f9k n LYS 4 N -3.35 0.40 0.17 2.33 5.02 -1.06 -4.58 118.16 117.09 3f9k n LYS 4 Ca 0.05 -0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 3f9k n LYS 4 Cb 0.62 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 3f9k n LYS 4 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3f9k h ILE 5 N 0.00 0.65 -0.46 -0.18 5.03 -1.46 -2.53 117.51 118.56 3f9k h ILE 5 Ca 0.00 -0.55 0.07 0.00 -0.12 0.00 0.00 64.86 64.26 3f9k h ILE 5 Cb 0.81 0.92 -0.09 0.00 -3.03 0.00 0.00 36.82 35.43 3f9k h ILE 5 CO 0.00 0.10 -0.45 -0.33 -0.68 0.00 0.00 178.15 176.79 3f9k h GLU 6 N -0.77 -0.30 -0.74 2.37 4.39 -1.81 -2.04 114.58 115.69 3f9k h GLU 6 Ca -0.05 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3f9k h GLU 6 Cb 0.51 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 3f9k h GLU 6 CO 0.07 -0.20 0.31 -1.35 -1.16 0.00 0.00 179.01 176.69 3f9k h PRO 7 N -0.31 1.08 -0.48 2.33 0.11 -1.82 -1.95 132.00 130.96 3f9k h PRO 7 Ca 0.14 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3f9k h PRO 7 Cb 0.58 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3f9k h PRO 7 CO -0.62 0.87 0.18 0.00 -0.21 0.00 0.00 178.00 178.22 3f9k h ALA 8 N 1.28 0.63 0.00 -0.75 0.00 -0.95 0.15 119.26 119.60 3f9k h ALA 8 Ca 0.25 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3f9k h ALA 8 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3f9k h ALA 8 CO -0.02 0.25 -0.84 -0.56 0.00 0.00 0.00 179.25 178.07 3f9k h GLN 9 N 0.64 0.00 -0.33 0.00 3.07 -1.33 -1.94 115.11 115.22 3f9k h GLN 9 Ca 0.16 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.92 3f9k h GLN 9 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.75 3f9k h GLN 9 CO -0.01 0.84 0.16 1.49 0.09 0.00 0.00 178.83 181.41 3f9k h GLU 10 N 0.00 0.33 -0.79 0.06 4.57 -1.17 -0.81 114.58 116.76 3f9k h GLU 10 Ca -0.01 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3f9k h GLU 10 Cb 1.54 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 30.01 3f9k h GLU 10 CO 0.11 0.22 0.50 1.49 -1.18 0.00 0.00 179.01 180.15 3f9k h GLU 11 N 0.34 0.94 -0.25 1.92 4.57 -0.51 -2.37 114.58 119.22 3f9k h GLU 11 Ca 0.14 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.09 3f9k h GLU 11 Cb 0.05 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 3f9k h GLU 11 CO -0.09 0.62 -0.51 1.25 -1.18 0.00 0.00 179.01 179.10 3f9k h HIS 12 N 0.97 1.00 -0.35 0.92 2.76 -1.14 -1.72 115.15 117.59 3f9k h HIS 12 Ca 0.32 -0.36 0.06 0.00 -2.20 0.00 0.00 60.37 58.19 3f9k h HIS 12 Cb 0.03 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3f9k h HIS 12 CO -0.03 1.17 0.24 0.93 -1.30 0.00 0.00 177.93 178.94 3f9k h GLU 13 N 0.54 0.20 0.03 5.26 5.08 -0.92 0.78 114.58 125.56 3f9k h GLU 13 Ca 0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3f9k h GLU 13 Cb 1.12 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3f9k h GLU 13 CO 0.11 0.14 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.89 3f9k h LYS 14 N 0.21 0.05 0.00 2.33 3.64 -1.21 -3.41 116.57 118.18 3f9k h LYS 14 Ca 0.15 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3f9k h LYS 14 Cb 0.34 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3f9k h LYS 14 CO -0.03 1.04 -0.90 0.66 -2.27 0.00 0.00 179.45 177.96 3f9k n TYR 15 N -4.52 0.00 -3.02 1.91 4.01 -0.67 -5.02 117.16 109.85 3f9k n TYR 15 Ca -0.11 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.46 3f9k n TYR 15 Cb 0.54 -0.04 0.04 0.00 -0.31 0.00 0.00 39.34 39.57 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 -1.47 -1.73 -1.59 -0.72 8.25 0.27 -4.92 115.22 113.31 3f9k n HIS 16 Ca -0.00 0.54 -0.48 0.00 -0.26 0.00 0.00 57.72 57.51 3f9k n HIS 16 Cb 0.05 -3.73 -0.04 0.00 1.12 0.00 0.00 29.99 27.40 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 -1.54 1.55 -3.72 0.41 7.64 -1.26 -4.96 113.62 111.73 3f9k n SER 17 Ca -0.04 1.14 -0.30 0.00 1.01 0.00 0.00 58.87 60.67 3f9k n SER 17 Cb 0.57 -1.24 0.24 0.00 -1.01 0.00 0.00 64.21 62.77 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 0.06 1.12 0.07 6.43 2.20 -1.16 -4.74 114.94 118.93 3f9k s ASN 18 Ca 0.73 0.45 -0.34 0.00 -0.94 0.00 0.00 52.86 52.75 3f9k s ASN 18 Cb -0.83 -0.56 -0.19 0.00 -2.00 0.00 0.00 41.25 37.67 3f9k s ASN 18 CO 0.52 -3.98 1.61 0.58 -2.94 0.00 0.00 177.10 172.88 3f9k h VAL 19 N -2.49 0.22 -0.57 3.54 2.07 -1.91 -1.96 116.25 115.15 3f9k h VAL 19 Ca -0.43 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.18 3f9k h VAL 19 Cb 1.27 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3f9k h VAL 19 CO 0.30 0.00 0.38 0.11 0.02 0.00 0.00 177.57 178.39 3f9k h LYS 20 N -1.02 0.40 -0.03 1.57 1.57 -1.94 -1.35 116.57 115.76 3f9k h LYS 20 Ca -0.10 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3f9k h LYS 20 Cb 0.80 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 3f9k h LYS 20 CO 0.14 0.26 -0.05 1.49 -0.57 0.00 0.00 179.45 180.73 3f9k h GLU 21 N 0.41 0.09 -0.43 3.15 4.57 -1.76 -2.22 114.58 118.39 3f9k h GLU 21 Ca 0.26 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.45 3f9k h GLU 21 Cb 0.49 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.02 3f9k h GLU 21 CO -0.07 0.59 0.10 -0.07 -1.18 0.00 0.00 179.01 178.38 3f9k h LEU 22 N -0.40 0.05 -0.34 1.64 3.38 -0.67 0.35 115.31 119.31 3f9k h LEU 22 Ca 0.00 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3f9k h LEU 22 Cb 0.58 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 3f9k h LEU 22 CO 0.01 0.06 0.01 0.28 0.09 0.00 0.00 178.44 178.89 3f9k h SER 23 N 0.24 -0.12 -0.10 -0.43 0.02 -1.34 -2.34 113.55 109.49 3f9k h SER 23 Ca 0.21 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 3f9k h SER 23 Cb 0.24 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3f9k h SER 23 CO -0.26 -0.03 0.00 -0.74 -1.14 0.00 0.00 176.83 174.67 3f9k h HIS 24 N 0.11 0.20 -0.77 3.45 -0.00 -0.68 0.21 115.15 117.66 3f9k h HIS 24 Ca 0.17 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 3f9k h HIS 24 Cb 0.22 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 3f9k h HIS 24 CO -0.24 0.43 0.36 -0.22 -0.00 0.00 0.00 177.93 178.26 3f9k h LYS 25 N -0.09 1.11 -0.00 5.26 1.63 -0.27 -3.31 116.57 120.90 3f9k h LYS 25 Ca 0.03 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 3f9k h LYS 25 Cb 0.35 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3f9k h LYS 25 CO 0.00 0.87 -0.21 1.19 -3.45 0.00 0.00 179.45 177.85 3f9k n PHE 26 N -4.31 0.00 -1.57 1.91 3.72 -0.89 -5.00 117.46 111.33 3f9k n PHE 26 Ca 0.07 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.36 3f9k n PHE 26 Cb 0.15 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 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 1.01 0.86 3.81 1.37 0.00 0.73 -5.01 105.19 107.97 3f9k n GLY 27 Ca 0.01 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 3f9k n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3f9k s ILE 28 N -2.44 4.45 0.52 -0.61 -4.36 -1.20 -4.96 121.20 112.60 3f9k s ILE 28 Ca 0.00 1.41 -0.23 0.00 -0.26 0.00 0.00 60.65 61.57 3f9k s ILE 28 Cb 0.00 -3.77 -0.06 0.00 1.25 0.00 0.00 42.46 39.88 3f9k s ILE 28 CO 0.00 -0.04 1.37 -2.84 0.24 0.00 0.00 174.94 173.67 3f9k s PRO 29 N -2.54 3.30 0.26 0.37 0.02 -1.26 -4.42 135.00 130.72 3f9k s PRO 29 Ca 0.52 2.27 -0.02 0.00 0.02 0.00 0.00 61.00 63.80 3f9k s PRO 29 Cb -0.14 -2.37 0.51 0.00 0.02 0.00 0.00 34.50 32.53 3f9k s PRO 29 CO 0.19 -1.08 1.75 -0.97 -0.33 0.00 0.00 177.00 176.55 3f9k h ASN 30 N 1.70 0.42 -0.56 2.53 -1.24 -1.97 -1.69 115.58 114.76 3f9k h ASN 30 Ca -0.51 0.10 -0.07 0.00 0.71 0.00 0.00 56.30 56.53 3f9k h ASN 30 Cb 1.29 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 40.36 3f9k h ASN 30 CO 0.58 0.16 0.09 -0.07 -1.29 0.00 0.00 177.43 176.91 3f9k h LEU 31 N 0.54 0.93 -0.62 0.34 -0.00 -1.99 -0.08 115.31 114.43 3f9k h LEU 31 Ca 0.45 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.88 58.05 3f9k h LEU 31 Cb 0.66 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 3f9k h LEU 31 CO -0.39 0.93 0.11 0.58 -0.00 0.00 0.00 178.44 179.67 3f9k h VAL 32 N 0.92 1.26 -0.33 1.22 2.07 -1.69 -1.50 116.25 118.20 3f9k h VAL 32 Ca 0.19 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3f9k h VAL 32 Cb 0.40 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3f9k h VAL 32 CO 0.01 0.37 0.14 0.00 0.02 0.00 0.00 177.57 178.11 3f9k h ALA 33 N 1.03 0.43 -0.93 1.67 0.00 -0.99 -2.61 119.26 117.85 3f9k h ALA 33 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3f9k h ALA 33 Cb 0.42 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3f9k h ALA 33 CO 0.01 0.01 0.60 -0.09 0.00 0.00 0.00 179.25 179.78 3f9k h ARG 34 N 0.39 1.15 -0.59 0.00 2.43 -0.81 -2.46 114.38 114.48 3f9k h ARG 34 Ca 0.11 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 3f9k h ARG 34 Cb 0.16 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3f9k h ARG 34 CO -0.01 0.76 -0.01 -0.56 -1.51 0.00 0.00 179.97 178.64 3f9k h GLN 35 N 1.19 1.05 -0.64 0.20 -0.00 -1.13 -1.07 115.11 114.71 3f9k h GLN 35 Ca 0.36 -0.34 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 3f9k h GLN 35 Cb -0.03 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.48 27.33 3f9k h GLN 35 CO -0.11 1.03 0.33 0.82 -0.00 0.00 0.00 178.83 180.90 3f9k h ILE 36 N 0.96 1.21 -0.28 1.86 2.04 -1.08 -0.24 117.51 121.98 3f9k h ILE 36 Ca 0.17 -0.56 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 3f9k h ILE 36 Cb 0.57 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3f9k h ILE 36 CO 0.03 0.24 -0.28 0.58 0.00 0.00 0.00 178.15 178.72 3f9k h VAL 37 N 0.87 1.30 -0.54 1.67 2.07 -1.31 -3.18 116.25 117.14 3f9k h VAL 37 Ca 0.22 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 3f9k h VAL 37 Cb 0.08 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3f9k h VAL 37 CO -0.03 0.46 0.07 0.78 0.02 0.00 0.00 177.57 178.87 3f9k h ASN 38 N 0.41 0.87 0.00 0.57 2.35 -1.04 -2.23 115.58 116.52 3f9k h ASN 38 Ca 0.04 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3f9k h ASN 38 Cb 0.84 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3f9k h ASN 38 CO 0.07 0.92 0.00 -1.54 -1.65 0.00 0.00 177.43 175.23 3f9k n SER 39 N -4.35 0.00 -4.73 5.81 3.41 -0.11 -4.73 113.62 108.91 3f9k n SER 39 Ca 0.02 -0.92 -0.37 0.00 -0.26 0.00 0.00 58.87 57.33 3f9k n SER 39 Cb 0.28 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 3f9k n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f9k h ALA 41 N 6.54 1.27 -0.63 0.00 0.00 -1.86 -2.87 119.26 121.70 3f9k h ALA 41 Ca -0.42 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3f9k h ALA 41 Cb 1.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3f9k h ALA 41 CO 0.74 0.12 0.00 1.04 0.00 0.00 0.00 179.25 181.15 3f9k n GLN 42 N -4.72 3.70 -4.20 0.00 3.00 -1.26 -5.20 117.38 108.70 3f9k n GLN 42 Ca 0.15 -2.78 -0.15 0.00 -0.01 0.00 0.00 57.00 54.22 3f9k n GLN 42 Cb 0.31 -1.90 -0.11 0.00 0.00 0.00 0.00 30.24 28.54 3f9k n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3f9k n VAL 54 N 0.46 0.00 -3.69 0.00 0.31 -1.23 -5.01 118.33 109.16 3f9k n VAL 54 Ca -0.15 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.89 3f9k n VAL 54 Cb 0.58 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.39 3f9k n VAL 54 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3f9k s ASN 55 N 0.13 3.45 0.23 4.52 2.47 -1.26 -4.74 114.94 119.74 3f9k s ASN 55 Ca 0.00 -3.02 0.05 0.00 0.42 0.00 0.00 52.86 50.31 3f9k s ASN 55 Cb 0.00 -1.05 -0.02 0.00 -1.45 0.00 0.00 41.25 38.73 3f9k s ASN 55 CO 0.00 -0.20 0.18 0.00 -3.72 0.00 0.00 177.10 173.36 3f9k n ALA 56 N 3.01 0.48 -1.76 1.71 0.00 -1.26 -5.06 120.51 117.62 3f9k n ALA 56 Ca 0.16 -1.32 -0.37 0.00 0.00 0.00 0.00 53.44 51.91 3f9k n ALA 56 Cb 0.38 1.05 0.02 0.00 0.00 0.00 0.00 19.45 20.90 3f9k n ALA 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3f9k s GLU 57 N -2.93 3.28 0.41 0.00 2.56 -1.26 -4.75 118.70 116.00 3f9k s GLU 57 Ca 0.25 1.92 0.09 0.00 0.00 0.00 0.00 54.97 57.23 3f9k s GLU 57 Cb 0.01 -2.18 0.85 0.00 2.00 0.00 0.00 34.13 34.82 3f9k s GLU 57 CO 0.18 -0.99 2.00 1.25 -0.56 0.00 0.00 175.26 177.14 3f9k h LEU 58 N 1.43 0.33 -0.32 2.70 5.85 -1.98 -2.88 115.31 120.44 3f9k h LEU 58 Ca -0.50 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3f9k h LEU 58 Cb 1.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3f9k h LEU 58 CO 0.57 0.34 -0.07 0.61 -0.34 0.00 0.00 178.44 179.55 3f9k n GLY 59 N -1.21 -0.79 3.68 3.75 0.00 -1.26 -4.89 105.19 104.47 3f9k n GLY 59 Ca 0.01 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.31 5.01 0.13 2.61 2.01 -1.09 -0.82 115.64 121.18 3f9k s THR 60 Ca 0.34 1.31 0.08 0.00 0.31 0.00 0.00 61.69 63.72 3f9k s THR 60 Cb 0.21 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3f9k s THR 60 CO 0.43 0.13 -0.18 0.26 -0.69 0.00 0.00 174.62 174.58 3f9k s TRP 61 N 1.68 1.68 -0.05 4.92 0.52 -0.05 -2.83 118.94 124.80 3f9k s TRP 61 Ca 0.32 -0.48 0.06 0.00 0.02 0.00 0.00 56.10 56.02 3f9k s TRP 61 Cb -0.16 -0.87 -0.01 0.00 -1.15 0.00 0.00 33.47 31.27 3f9k s TRP 61 CO 0.12 0.24 -0.24 -0.65 0.02 0.00 0.00 176.95 176.44 3f9k s GLN 62 N -2.47 2.49 0.15 4.98 -0.21 -0.11 -1.04 119.66 123.45 3f9k s GLN 62 Ca 0.11 -0.88 0.11 0.00 0.02 0.00 0.00 55.36 54.72 3f9k s GLN 62 Cb -0.07 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 3f9k s GLN 62 CO 0.05 0.44 -0.26 1.41 -2.12 0.00 0.00 175.29 174.81 3f9k s MET 63 N -0.30 1.44 0.16 2.91 1.75 -1.06 0.03 119.30 124.23 3f9k s MET 63 Ca 0.01 -1.41 -0.25 0.00 -1.25 0.00 0.00 55.69 52.79 3f9k s MET 63 Cb -0.13 -1.87 0.06 0.00 2.84 0.00 0.00 34.83 35.74 3f9k s MET 63 CO 0.02 0.43 0.90 0.34 -0.65 0.00 0.00 175.02 176.06 3f9k s ASP 64 N -2.28 -0.23 0.05 1.11 2.15 0.31 -4.47 116.67 113.32 3f9k s ASP 64 Ca 0.16 -0.37 0.07 0.00 0.43 0.00 0.00 52.55 52.84 3f9k s ASP 64 Cb -0.09 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 43.02 3f9k s ASP 64 CO 0.07 -0.95 -0.17 0.00 -0.17 0.00 0.00 175.17 173.96 3f9k s THR 66 N -0.98 0.19 0.03 0.00 -1.32 0.03 -5.00 115.64 108.58 3f9k s THR 66 Ca 0.16 -1.77 0.07 0.00 -1.21 0.00 0.00 61.69 58.94 3f9k s THR 66 Cb -0.11 -1.62 -0.02 0.00 -1.51 0.00 0.00 72.50 69.24 3f9k s THR 66 CO 0.07 -0.85 -0.22 -1.00 -2.21 0.00 0.00 174.62 170.41 3f9k s HIS 67 N -3.94 1.90 -0.20 9.09 3.76 -1.26 -0.39 115.29 124.26 3f9k s HIS 67 Ca 0.10 -0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.55 3f9k s HIS 67 Cb 0.08 -1.16 0.07 0.00 1.11 0.00 0.00 32.58 32.68 3f9k s HIS 67 CO -0.08 0.06 0.46 -1.17 -0.85 0.00 0.00 174.74 173.16 3f9k s LEU 68 N -1.00 -0.40 -1.63 0.89 0.20 -0.62 -4.91 118.68 111.22 3f9k s LEU 68 Ca 0.08 1.02 -0.14 0.00 0.69 0.00 0.00 54.13 55.78 3f9k s LEU 68 Cb -0.09 1.51 0.12 0.00 -0.43 0.00 0.00 46.19 47.30 3f9k s LEU 68 CO 0.01 -0.21 0.72 -0.62 -0.29 0.00 0.00 176.35 175.96 3f9k n GLU 69 N 4.66 -3.38 -0.88 1.98 1.02 -1.26 -0.35 120.64 122.41 3f9k n GLU 69 Ca -0.18 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3f9k n GLU 69 Cb 0.54 -5.00 0.00 0.00 -0.02 0.00 0.00 31.44 26.96 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 -1.57 0.47 3.92 0.62 0.00 -1.26 -5.00 105.19 102.37 3f9k n GLY 70 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.57 3.50 -0.29 1.61 3.01 0.52 -5.09 119.74 122.42 3f9k s LYS 71 Ca 0.00 -0.35 -0.13 0.00 -1.01 0.00 0.00 55.97 54.48 3f9k s LYS 71 Cb 0.00 -2.97 -0.04 0.00 -1.01 0.00 0.00 37.83 33.82 3f9k s LYS 71 CO 0.00 0.55 0.28 0.42 0.51 0.00 0.00 175.35 177.11 3f9k s ILE 72 N -1.60 5.24 -0.21 2.17 1.01 -1.26 -1.59 121.20 124.96 3f9k s ILE 72 Ca 0.37 0.26 -0.06 0.00 0.00 0.00 0.00 60.65 61.23 3f9k s ILE 72 Cb -0.12 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3f9k s ILE 72 CO 0.27 0.15 0.02 -0.63 0.00 0.00 0.00 174.94 174.75 3f9k s ILE 73 N 1.90 4.03 -0.01 2.92 1.01 0.48 -1.10 121.20 130.43 3f9k s ILE 73 Ca 0.10 -0.28 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 3f9k s ILE 73 Cb -0.16 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 3f9k s ILE 73 CO 0.11 0.40 0.38 -0.51 0.00 0.00 0.00 174.94 175.32 3f9k s ILE 74 N 1.19 5.08 -0.04 2.92 2.07 0.21 -0.79 121.20 131.84 3f9k s ILE 74 Ca 0.03 0.78 0.01 0.00 -1.41 0.00 0.00 60.65 60.06 3f9k s ILE 74 Cb -0.14 -3.68 0.02 0.00 0.13 0.00 0.00 42.46 38.78 3f9k s ILE 74 CO 0.02 0.58 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.89 3f9k s VAL 75 N -1.04 0.49 -0.03 4.00 1.01 0.43 -1.88 120.40 123.38 3f9k s VAL 75 Ca 0.23 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.16 3f9k s VAL 75 Cb -0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3f9k s VAL 75 CO 0.12 0.21 -0.23 0.00 0.00 0.00 0.00 175.10 175.20 3f9k s ALA 76 N 0.81 1.94 -0.09 5.51 0.00 0.82 -0.53 121.76 130.21 3f9k s ALA 76 Ca -0.11 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3f9k s ALA 76 Cb -0.13 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.45 3f9k s ALA 76 CO 0.00 0.42 -0.15 0.08 0.00 0.00 0.00 175.76 176.11 3f9k s VAL 77 N -0.33 1.44 -0.55 0.00 1.01 0.10 -0.72 120.40 121.35 3f9k s VAL 77 Ca 0.03 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 3f9k s VAL 77 Cb -0.11 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.99 3f9k s VAL 77 CO 0.01 0.43 1.39 -2.28 0.00 0.00 0.00 175.10 174.65 3f9k s HIS 78 N 0.79 2.33 0.23 5.22 2.46 0.35 -0.93 115.29 125.73 3f9k s HIS 78 Ca -0.11 0.49 -0.06 0.00 0.47 0.00 0.00 55.06 55.85 3f9k s HIS 78 Cb -0.16 -4.40 0.35 0.00 -0.13 0.00 0.00 32.58 28.24 3f9k s HIS 78 CO 0.02 -1.93 1.81 0.28 -2.47 0.00 0.00 174.74 172.44 3f9k h VAL 79 N 6.36 0.91 -0.53 0.89 2.07 -1.83 0.15 116.25 124.27 3f9k h VAL 79 Ca -0.27 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 3f9k h VAL 79 Cb 1.09 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3f9k h VAL 79 CO 1.17 0.14 -0.10 0.00 0.02 0.00 0.00 177.57 178.80 3f9k h ALA 80 N 1.43 0.81 0.00 1.67 0.00 -1.81 -3.27 119.26 118.09 3f9k h ALA 80 Ca 0.37 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 3f9k h ALA 80 Cb 0.32 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3f9k h ALA 80 CO -0.23 0.66 -2.22 -1.13 0.00 0.00 0.00 179.25 176.33 3f9k n SER 81 N -4.15 0.09 0.00 0.00 3.41 -0.95 -3.73 113.62 108.29 3f9k n SER 81 Ca 0.02 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3f9k n SER 81 Cb 0.39 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.47 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 1.61 0.72 3.74 5.00 0.00 0.50 -4.70 105.19 112.06 3f9k n GLY 82 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.32 3.06 0.13 1.61 5.36 -1.24 -4.83 117.98 119.75 3f9k s PHE 83 Ca 0.00 1.01 0.11 0.00 -0.96 0.00 0.00 56.93 57.09 3f9k s PHE 83 Cb 0.00 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 3f9k s PHE 83 CO 0.00 -2.63 -0.27 0.96 -1.46 0.00 0.00 175.22 171.83 3f9k s ILE 84 N 0.14 2.23 -0.03 3.12 -4.36 -1.26 -0.50 121.20 120.54 3f9k s ILE 84 Ca 0.60 -1.73 0.05 0.00 -0.26 0.00 0.00 60.65 59.30 3f9k s ILE 84 Cb -0.41 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.32 3f9k s ILE 84 CO 0.41 0.10 -0.17 -1.61 0.24 0.00 0.00 174.94 173.90 3f9k s GLU 85 N -2.02 1.68 0.02 0.37 0.41 0.10 -4.93 118.70 114.33 3f9k s GLU 85 Ca 0.14 -0.62 -0.16 0.00 -0.41 0.00 0.00 54.97 53.91 3f9k s GLU 85 Cb -0.10 -1.50 0.03 0.00 -1.78 0.00 0.00 34.13 30.77 3f9k s GLU 85 CO 0.06 0.29 0.36 0.00 -0.49 0.00 0.00 175.26 175.47 3f9k s ALA 86 N -0.11 -0.87 -0.05 5.21 0.00 -1.26 -0.13 121.76 124.55 3f9k s ALA 86 Ca -0.00 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3f9k s ALA 86 Cb -0.10 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.34 3f9k s ALA 86 CO 0.01 -0.38 0.73 -2.00 0.00 0.00 0.00 175.76 174.12 3f9k s GLU 87 N -2.09 0.99 -0.09 0.00 2.12 -0.79 -4.73 118.70 114.11 3f9k s GLU 87 Ca -0.08 0.18 -0.22 0.00 0.36 0.00 0.00 54.97 55.22 3f9k s GLU 87 Cb -0.02 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.80 3f9k s GLU 87 CO -0.00 -0.32 0.63 0.08 -0.54 0.00 0.00 175.26 175.11 3f9k s VAL 88 N -1.38 5.09 0.01 3.70 1.01 -1.26 -0.62 120.40 126.94 3f9k s VAL 88 Ca -0.08 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.23 3f9k s VAL 88 Cb -0.00 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3f9k s VAL 88 CO 0.07 0.26 -0.15 0.27 0.00 0.00 0.00 175.10 175.56 3f9k s ILE 89 N 0.82 3.05 0.21 2.22 -4.36 -0.26 -4.96 121.20 117.92 3f9k s ILE 89 Ca 0.34 -0.97 -0.09 0.00 -0.26 0.00 0.00 60.65 59.67 3f9k s ILE 89 Cb -0.17 -2.27 0.16 0.00 1.25 0.00 0.00 42.46 41.43 3f9k s ILE 89 CO 0.15 0.42 1.83 1.55 0.24 0.00 0.00 174.94 179.13 3f9k h PRO 90 N 4.76 0.77 -3.46 0.37 0.13 -1.98 -3.37 132.00 129.22 3f9k h PRO 90 Ca -0.47 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 3f9k h PRO 90 Cb 1.16 -0.17 -0.19 0.00 0.13 0.00 0.00 31.00 31.93 3f9k h PRO 90 CO 0.50 0.51 -0.40 1.14 -0.23 0.00 0.00 178.00 179.51 3f9k s GLN 91 N -6.10 0.62 0.00 0.86 0.00 -1.26 -4.93 119.66 108.86 3f9k s GLN 91 Ca -0.13 -0.49 -0.03 0.00 -0.00 0.00 0.00 55.36 54.71 3f9k s GLN 91 Cb 0.16 0.26 -0.16 0.00 0.00 0.00 0.00 33.01 33.28 3f9k s GLN 91 CO 0.77 -0.17 2.52 -1.91 0.00 0.00 0.00 175.29 176.50 3f9k n GLU 92 N 1.02 1.32 -2.62 9.60 2.13 -1.26 -4.71 120.64 126.12 3f9k n GLU 92 Ca -0.21 -0.58 -0.25 0.00 0.66 0.00 0.00 57.16 56.78 3f9k n GLU 92 Cb 0.57 -1.72 0.02 0.00 0.27 0.00 0.00 31.44 30.59 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 2.21 5.69 0.21 4.31 1.04 -1.26 -4.58 113.70 121.32 3f9k s SER 93 Ca 0.39 0.55 -0.10 0.00 0.48 0.00 0.00 55.95 57.27 3f9k s SER 93 Cb 0.19 -1.64 0.18 0.00 0.10 0.00 0.00 66.02 64.84 3f9k s SER 93 CO 0.00 -0.92 1.85 1.23 0.98 0.00 0.00 173.24 176.38 3f9k h GLY 94 N 0.05 1.00 0.89 7.32 0.00 -1.89 -2.64 103.07 107.80 3f9k h GLY 94 Ca -0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 3f9k h GLY 94 CO 0.59 0.29 0.08 -0.09 0.00 0.00 0.00 176.54 177.42 3f9k h ARG 95 N 0.87 0.39 -0.72 4.80 2.43 -1.94 0.28 114.38 120.49 3f9k h ARG 95 Ca 0.27 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3f9k h ARG 95 Cb -0.01 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3f9k h ARG 95 CO -0.10 0.46 0.41 1.96 -1.51 0.00 0.00 179.97 181.20 3f9k h GLN 96 N 0.24 0.99 0.22 0.20 1.08 -1.83 0.18 115.11 116.19 3f9k h GLN 96 Ca 0.08 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3f9k h GLN 96 Cb 0.23 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3f9k h GLN 96 CO -0.00 0.71 -0.11 1.15 -0.95 0.00 0.00 178.83 179.63 3f9k h THR 97 N 1.00 0.85 -0.81 -0.54 2.02 -1.24 -1.53 112.91 112.65 3f9k h THR 97 Ca 0.26 -0.43 0.12 0.00 0.77 0.00 0.00 66.41 67.12 3f9k h THR 97 Cb -0.00 1.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.42 3f9k h THR 97 CO -0.04 0.10 0.43 0.00 0.37 0.00 0.00 175.52 176.37 3f9k h ALA 98 N 0.20 1.18 -0.41 6.16 0.00 -0.45 0.98 119.26 126.93 3f9k h ALA 98 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f9k h ALA 98 Cb 0.39 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3f9k h ALA 98 CO 0.05 -0.02 0.26 -0.07 0.00 0.00 0.00 179.25 179.47 3f9k h LEU 99 N 0.67 0.49 -0.63 0.00 4.07 -0.61 -1.21 115.31 118.08 3f9k h LEU 99 Ca 0.42 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.34 3f9k h LEU 99 Cb 0.50 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 3f9k h LEU 99 CO -0.31 0.38 0.39 0.15 -1.08 0.00 0.00 178.44 177.97 3f9k h PHE 100 N 0.55 0.82 -0.42 1.13 3.57 -0.13 -2.00 116.94 120.46 3f9k h PHE 100 Ca 0.15 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3f9k h PHE 100 Cb -0.03 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 3f9k h PHE 100 CO -0.04 0.55 0.25 1.25 -2.23 0.00 0.00 178.31 178.09 3f9k h LEU 101 N 0.85 0.42 -1.09 0.59 6.46 -0.62 -1.43 115.31 120.50 3f9k h LEU 101 Ca 0.23 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 3f9k h LEU 101 Cb -0.04 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 39.74 3f9k h LEU 101 CO -0.04 0.30 0.62 -0.07 -0.62 0.00 0.00 178.44 178.62 3f9k h LEU 102 N 0.52 1.01 0.25 2.25 3.38 -0.82 0.13 115.31 122.03 3f9k h LEU 102 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3f9k h LEU 102 Cb -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3f9k h LEU 102 CO -0.07 0.68 -0.12 0.11 0.09 0.00 0.00 178.44 179.13 3f9k h LYS 103 N 1.17 -0.33 -0.42 1.13 1.57 -0.91 -1.60 116.57 117.18 3f9k h LYS 103 Ca 0.38 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.26 3f9k h LYS 103 Cb 0.04 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 3f9k h LYS 103 CO -0.12 -0.16 -0.01 1.25 -0.57 0.00 0.00 179.45 179.83 3f9k h LEU 104 N -0.41 -0.19 -1.25 2.94 5.85 -0.63 -1.64 115.31 119.97 3f9k h LEU 104 Ca -0.03 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3f9k h LEU 104 Cb 0.31 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3f9k h LEU 104 CO 0.06 -0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 3f9k h ALA 105 N 1.37 1.00 0.00 1.25 0.00 -0.63 -1.74 119.26 120.52 3f9k h ALA 105 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3f9k h ALA 105 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3f9k h ALA 105 CO -0.35 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.77 3f9k n SER 106 N -2.77 0.00 -0.02 0.00 3.41 -0.61 -4.12 113.62 109.50 3f9k n SER 106 Ca 0.01 0.28 -0.04 0.00 -0.26 0.00 0.00 58.87 58.86 3f9k n SER 106 Cb 0.26 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.43 0.09 -4.27 4.33 1.74 -0.85 -5.09 116.66 111.18 3f9k n ARG 107 Ca 0.10 0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 3f9k n ARG 107 Cb 0.30 -0.86 -0.09 0.00 -1.02 0.00 0.00 32.46 30.79 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 -2.08 2.68 -1.21 -1.55 0.52 -0.71 -5.04 118.94 111.55 3f9k s TRP 108 Ca -0.06 -0.20 -0.20 0.00 0.02 0.00 0.00 56.10 55.66 3f9k s TRP 108 Cb 0.02 -1.31 0.03 0.00 -1.15 0.00 0.00 33.47 31.06 3f9k s TRP 108 CO 0.08 0.51 1.75 -2.14 0.02 0.00 0.00 176.95 177.17 3f9k s PRO 109 N -2.85 3.52 -0.07 4.98 0.02 -1.26 -4.57 135.00 134.78 3f9k s PRO 109 Ca 0.25 -1.58 -0.28 0.00 0.02 0.00 0.00 61.00 59.41 3f9k s PRO 109 Cb -0.09 -5.42 -0.02 0.00 0.02 0.00 0.00 34.50 28.99 3f9k s PRO 109 CO 0.16 -2.69 0.92 0.42 -0.33 0.00 0.00 177.00 175.48 3f9k s ILE 110 N 6.15 4.88 -0.12 2.83 1.01 -1.26 -4.50 121.20 130.18 3f9k s ILE 110 Ca 0.57 1.89 0.03 0.00 0.00 0.00 0.00 60.65 63.14 3f9k s ILE 110 Cb 0.02 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 3f9k s ILE 110 CO 0.06 0.11 -0.08 0.41 0.00 0.00 0.00 174.94 175.44 3f9k n THR 111 N 4.19 0.73 -3.72 2.92 -1.04 -0.00 -4.75 114.28 112.62 3f9k n THR 111 Ca 0.05 -0.32 -0.15 0.00 -2.04 0.00 0.00 64.05 61.60 3f9k n THR 111 Cb 0.50 -0.90 -0.15 0.00 -1.82 0.00 0.00 70.33 67.96 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 -2.26 -0.17 -0.11 -1.42 5.65 -0.51 -0.75 115.29 115.72 3f9k s HIS 112 Ca -0.14 0.54 -0.01 0.00 0.25 0.00 0.00 55.06 55.70 3f9k s HIS 112 Cb 0.04 -0.15 -0.02 0.00 -1.18 0.00 0.00 32.58 31.27 3f9k s HIS 112 CO 0.33 -0.21 -0.08 -1.17 -0.65 0.00 0.00 174.74 172.95 3f9k s LEU 113 N 1.62 3.01 -0.09 8.88 0.20 0.10 -0.87 118.68 131.53 3f9k s LEU 113 Ca -0.04 -0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.63 3f9k s LEU 113 Cb -0.12 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 43.97 3f9k s LEU 113 CO -0.06 0.24 -0.14 -2.28 -0.29 0.00 0.00 176.35 173.82 3f9k s HIS 114 N -0.06 1.77 0.22 5.38 5.65 -0.20 -0.96 115.29 127.08 3f9k s HIS 114 Ca -0.00 -0.77 -0.00 0.00 0.25 0.00 0.00 55.06 54.54 3f9k s HIS 114 Cb -0.14 -1.29 -0.04 0.00 -1.18 0.00 0.00 32.58 29.94 3f9k s HIS 114 CO 0.03 -0.40 0.15 0.95 -0.65 0.00 0.00 174.74 174.82 3f9k s THR 115 N 0.89 0.00 0.38 0.89 -4.23 -0.91 -2.57 115.64 110.09 3f9k s THR 115 Ca -0.09 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.36 3f9k s THR 115 Cb -0.15 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.28 3f9k s THR 115 CO 0.00 0.00 0.36 -0.90 -0.54 0.00 0.00 174.62 173.54 3f9k n ASP 116 N -0.44 -1.16 -1.14 3.99 5.68 -1.26 -1.49 116.55 120.73 3f9k n ASP 116 Ca 0.03 -0.77 0.07 0.00 -0.50 0.00 0.00 54.79 53.61 3f9k n ASP 116 Cb 0.65 -0.32 0.24 0.00 -1.14 0.00 0.00 41.12 40.56 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 -3.54 3.31 -4.47 -1.12 4.13 -1.26 -4.61 115.26 107.71 3f9k n ASN 117 Ca 0.05 -2.27 -0.52 0.00 1.68 0.00 0.00 54.58 53.52 3f9k n ASN 117 Cb 0.18 -0.46 -0.05 0.00 -1.54 0.00 0.00 39.78 37.92 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 0.92 -0.91 0.35 7.41 0.00 -1.26 -4.66 105.19 107.03 3f9k n GLY 118 Ca 0.17 0.53 0.18 0.00 0.00 0.00 0.00 46.02 46.90 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 2.10 1.82 -0.79 4.61 0.00 -1.94 0.48 119.26 125.55 3f9k h ALA 119 Ca -0.39 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3f9k h ALA 119 Cb 1.42 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 3f9k h ALA 119 CO 0.62 -0.30 0.43 -2.95 0.00 0.00 0.00 179.25 177.05 3f9k h ASN 120 N 0.56 0.99 0.80 0.00 -1.07 -1.87 -1.50 115.58 113.49 3f9k h ASN 120 Ca 0.65 -0.10 -0.15 0.00 0.07 0.00 0.00 56.30 56.77 3f9k h ASN 120 Cb 1.26 -0.25 -0.02 0.00 -2.07 0.00 0.00 38.32 37.24 3f9k h ASN 120 CO -0.47 0.80 -0.70 -0.26 0.07 0.00 0.00 177.43 176.87 3f9k h PHE 121 N 1.09 0.00 -0.62 4.14 0.04 -1.24 -2.72 116.94 117.63 3f9k h PHE 121 Ca 0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.05 3f9k h PHE 121 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3f9k h PHE 121 CO 0.00 0.70 0.00 0.25 -0.60 0.00 0.00 178.31 178.66 3f9k n THR 122 N -3.61 1.40 -1.15 -1.55 -2.24 -0.88 -4.79 114.28 101.47 3f9k n THR 122 Ca -0.01 -1.01 -0.30 0.00 -2.27 0.00 0.00 64.05 60.47 3f9k n THR 122 Cb 0.71 0.21 0.14 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.90 3.38 0.15 3.42 1.04 -0.57 -4.90 113.70 115.31 3f9k s SER 123 Ca 0.46 1.55 -0.06 0.00 0.48 0.00 0.00 55.95 58.38 3f9k s SER 123 Cb 0.28 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 3f9k s SER 123 CO 0.25 -2.70 1.39 -0.61 0.98 0.00 0.00 173.24 172.54 3f9k h GLN 124 N -1.59 0.58 -0.25 4.02 5.75 -1.88 -2.59 115.11 119.14 3f9k h GLN 124 Ca -0.49 -0.46 -0.13 0.00 -0.15 0.00 0.00 58.65 57.41 3f9k h GLN 124 Cb 1.28 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 3f9k h GLN 124 CO 0.53 1.09 -0.40 1.49 -2.65 0.00 0.00 178.83 178.89 3f9k h GLU 125 N 0.40 0.58 -0.46 1.69 4.81 -1.93 -2.46 114.58 117.21 3f9k h GLU 125 Ca -0.04 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3f9k h GLU 125 Cb 1.34 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 3f9k h GLU 125 CO 0.14 0.88 -0.02 0.28 -0.73 0.00 0.00 179.01 179.56 3f9k h VAL 126 N 0.47 1.26 -0.95 0.32 2.07 -1.77 -2.70 116.25 114.96 3f9k h VAL 126 Ca 0.04 -1.08 0.12 0.00 0.82 0.00 0.00 66.70 66.60 3f9k h VAL 126 Cb 0.90 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 3f9k h VAL 126 CO 0.08 0.37 0.61 0.50 0.02 0.00 0.00 177.57 179.15 3f9k h LYS 127 N 0.67 0.89 -0.02 1.57 3.64 -1.25 -0.47 116.57 121.60 3f9k h LYS 127 Ca 0.13 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3f9k h LYS 127 Cb 0.52 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3f9k h LYS 127 CO 0.03 0.59 -0.01 0.52 -2.27 0.00 0.00 179.45 178.31 3f9k h MET 128 N 0.92 0.04 -0.46 1.90 2.86 -1.31 -0.76 114.93 118.11 3f9k h MET 128 Ca 0.46 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.15 3f9k h MET 128 Cb 0.50 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 3f9k h MET 128 CO -0.23 0.45 0.16 0.28 1.06 0.00 0.00 176.91 178.64 3f9k h VAL 129 N -0.37 0.85 -0.67 -2.22 2.07 -1.18 0.27 116.25 114.99 3f9k h VAL 129 Ca 0.00 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3f9k h VAL 129 Cb 0.44 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3f9k h VAL 129 CO 0.00 0.06 0.37 0.00 0.02 0.00 0.00 177.57 178.03 3f9k h ALA 130 N 1.31 0.90 -0.45 1.67 0.00 -1.06 -1.06 119.26 120.57 3f9k h ALA 130 Ca 0.22 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3f9k h ALA 130 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3f9k h ALA 130 CO -0.22 0.05 0.04 2.35 0.00 0.00 0.00 179.25 181.46 3f9k h TRP 131 N 0.69 0.82 -0.26 0.00 7.01 -0.01 0.53 115.95 124.74 3f9k h TRP 131 Ca 0.30 -0.13 -0.06 0.00 2.11 0.00 0.00 58.89 61.11 3f9k h TRP 131 Cb 0.19 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3f9k h TRP 131 CO -0.08 0.79 -0.09 2.35 -2.79 0.00 0.00 178.44 178.62 3f9k h TRP 132 N 0.62 0.59 -0.14 2.65 7.01 -0.11 -2.97 115.95 123.60 3f9k h TRP 132 Ca 0.13 -0.14 -0.17 0.00 2.11 0.00 0.00 58.89 60.82 3f9k h TRP 132 Cb 0.44 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.35 3f9k h TRP 132 CO 0.03 0.75 -0.63 0.82 -2.79 0.00 0.00 178.44 176.63 3f9k h ILE 133 N 0.25 1.34 -0.56 2.65 1.08 -1.27 -3.48 117.51 117.52 3f9k h ILE 133 Ca 0.06 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.61 3f9k h ILE 133 Cb 0.58 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 3f9k h ILE 133 CO 0.03 0.59 0.00 0.61 -0.69 0.00 0.00 178.15 178.69 3f9k n GLY 134 N 0.38 0.76 3.30 5.37 0.00 0.12 -5.10 105.19 110.03 3f9k n GLY 134 Ca -0.04 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.93 2.50 0.12 -0.61 1.01 0.16 -4.78 121.20 117.68 3f9k s ILE 135 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 3f9k s ILE 135 Cb 0.00 -1.99 -0.07 0.00 0.01 0.00 0.00 42.46 40.40 3f9k s ILE 135 CO 0.00 0.55 0.73 -0.70 0.00 0.00 0.00 174.94 175.52 3f9k s GLU 136 N 0.24 4.48 0.02 2.79 2.12 0.07 -4.52 118.70 123.89 3f9k s GLU 136 Ca -0.13 1.05 0.03 0.00 0.36 0.00 0.00 54.97 56.28 3f9k s GLU 136 Cb -0.16 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 3f9k s GLU 136 CO 0.07 0.52 -0.05 -0.65 -0.54 0.00 0.00 175.26 174.61 3f9k s GLN 137 N -0.89 2.56 0.06 4.30 -0.21 -1.26 0.02 119.66 124.23 3f9k s GLN 137 Ca 0.35 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 55.00 3f9k s GLN 137 Cb -0.22 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 3f9k s GLN 137 CO 0.24 0.59 -0.06 -1.54 -2.12 0.00 0.00 175.29 172.40 3f9k s SER 138 N -1.57 0.78 0.03 5.90 1.04 -0.14 -4.95 113.70 114.80 3f9k s SER 138 Ca 0.18 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.91 3f9k s SER 138 Cb -0.11 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 3f9k s SER 138 CO 0.09 -0.35 -0.09 -0.36 0.98 0.00 0.00 173.24 173.51 3f9k s PHE 139 N -2.39 0.77 0.00 5.02 0.40 -1.26 -2.15 117.98 118.38 3f9k s PHE 139 Ca -0.02 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 3f9k s PHE 139 Cb -0.03 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 43.04 3f9k s PHE 139 CO -0.03 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.27 3f9k n GLY 140 N 1.87 1.61 3.67 4.36 0.00 -0.56 -4.79 105.19 111.36 3f9k n GLY 140 Ca -0.19 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 3f9k n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f9k s VAL 141 N 0.00 5.16 0.61 1.61 1.01 -1.26 -4.77 120.40 122.76 3f9k s VAL 141 Ca 0.00 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 3f9k s VAL 141 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3f9k s VAL 141 CO 0.00 0.23 1.18 -2.84 0.00 0.00 0.00 175.10 173.67 3f9k s PRO 142 N 1.36 2.92 0.46 2.72 0.02 -1.26 -4.91 135.00 136.30 3f9k s PRO 142 Ca 0.22 1.73 0.13 0.00 0.02 0.00 0.00 61.00 63.10 3f9k s PRO 142 Cb -0.15 -1.93 1.04 0.00 0.02 0.00 0.00 34.50 33.47 3f9k s PRO 142 CO 0.09 -1.22 2.04 -0.92 -0.33 0.00 0.00 177.00 176.65 3f9k h TYR 143 N 0.70 0.09 -3.57 6.54 3.20 -1.97 -3.38 116.97 118.59 3f9k h TYR 143 Ca -0.50 -0.00 -0.63 0.00 3.14 0.00 0.00 58.73 60.74 3f9k h TYR 143 Cb 1.29 -0.03 -0.14 0.00 1.54 0.00 0.00 36.73 39.39 3f9k h TYR 143 CO 0.48 0.17 0.09 1.21 -1.64 0.00 0.00 178.16 178.47 3f9k s ASN 144 N -6.98 6.40 0.09 -2.11 2.47 -1.26 -5.00 114.94 108.55 3f9k s ASN 144 Ca -0.05 0.12 -0.33 0.00 0.42 0.00 0.00 52.86 53.02 3f9k s ASN 144 Cb 0.16 -2.31 -0.15 0.00 -1.45 0.00 0.00 41.25 37.50 3f9k s ASN 144 CO 0.70 -0.55 1.59 -0.65 -3.72 0.00 0.00 177.10 174.47 3f9k h PRO 145 N 8.44 -0.84 -7.23 0.43 0.11 -2.00 -3.34 132.00 127.57 3f9k h PRO 145 Ca -0.27 0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.37 3f9k h PRO 145 Cb 1.11 0.19 0.17 0.00 0.11 0.00 0.00 31.00 32.59 3f9k h PRO 145 CO 0.81 -0.56 0.32 1.14 -0.21 0.00 0.00 178.00 179.51 3f9k s GLN 146 N -5.96 1.65 0.00 1.05 -2.07 -1.26 -2.27 119.66 110.81 3f9k s GLN 146 Ca -0.17 1.65 0.00 0.00 -1.82 0.00 0.00 55.36 55.01 3f9k s GLN 146 Cb 0.05 -1.79 0.00 0.00 -1.09 0.00 0.00 33.01 30.18 3f9k s GLN 146 CO 0.62 -2.18 0.00 0.45 -1.32 0.00 0.00 175.29 172.86 3f9k n SER 147 N -3.42 0.00 -4.62 12.60 2.88 -1.26 -5.01 113.62 114.78 3f9k n SER 147 Ca 0.13 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.27 3f9k n SER 147 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 3f9k n SER 147 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3f9k s GLN 148 N -0.17 4.09 0.00 -1.46 2.00 -0.96 -4.11 119.66 119.04 3f9k s GLN 148 Ca 0.00 0.37 0.00 0.00 -2.00 0.00 0.00 55.36 53.73 3f9k s GLN 148 Cb 0.00 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 30.17 3f9k s GLN 148 CO 0.00 -0.34 0.00 0.41 -0.50 0.00 0.00 175.29 174.86 3f9k n GLY 149 N 4.31 0.68 0.07 2.59 0.00 -1.26 -5.00 105.19 106.58 3f9k n GLY 149 Ca -0.04 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 1.33 -0.53 1.61 2.07 -2.00 -1.91 116.25 116.82 3f9k h VAL 150 Ca 0.00 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.38 3f9k h VAL 150 Cb 0.00 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 3f9k h VAL 150 CO 0.00 0.30 0.26 0.58 0.02 0.00 0.00 177.57 178.73 3f9k h VAL 151 N -0.57 0.92 -0.51 2.57 2.07 -1.91 0.73 116.25 119.56 3f9k h VAL 151 Ca -0.00 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3f9k h VAL 151 Cb 0.52 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3f9k h VAL 151 CO 0.01 0.09 0.29 -0.33 0.02 0.00 0.00 177.57 177.65 3f9k h GLU 152 N 0.49 0.56 -0.13 1.57 3.07 -1.97 0.40 114.58 118.56 3f9k h GLU 152 Ca 0.24 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3f9k h GLU 152 Cb 0.18 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3f9k h GLU 152 CO -0.18 0.37 0.09 0.00 -1.40 0.00 0.00 179.01 177.88 3f9k h ALA 153 N 1.24 0.17 -0.80 3.43 0.00 -0.80 -2.63 119.26 119.87 3f9k h ALA 153 Ca 0.21 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.21 3f9k h ALA 153 Cb 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3f9k h ALA 153 CO -0.11 -0.34 0.43 0.52 0.00 0.00 0.00 179.25 179.75 3f9k h MET 154 N 0.18 0.68 -0.82 0.00 2.86 -0.06 -1.46 114.93 116.32 3f9k h MET 154 Ca 0.05 -0.04 0.19 0.00 -2.06 0.00 0.00 59.70 57.84 3f9k h MET 154 Cb -0.02 -0.15 -0.12 0.00 0.06 0.00 0.00 31.60 31.37 3f9k h MET 154 CO -0.01 0.45 0.26 -0.91 1.06 0.00 0.00 176.91 177.76 3f9k h ASN 155 N 0.70 0.11 -0.07 1.22 2.35 0.14 0.21 115.58 120.24 3f9k h ASN 155 Ca 0.40 0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 56.28 3f9k h ASN 155 Cb 0.43 0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 3f9k h ASN 155 CO -0.28 -0.04 -0.06 0.45 -1.65 0.00 0.00 177.43 175.84 3f9k h HIS 156 N 0.31 0.21 -0.75 1.19 3.86 -1.17 -2.20 115.15 116.60 3f9k h HIS 156 Ca 0.49 -0.06 0.08 0.00 -1.16 0.00 0.00 60.37 59.72 3f9k h HIS 156 Cb 0.89 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.24 3f9k h HIS 156 CO -0.23 0.60 0.41 0.45 0.86 0.00 0.00 177.93 180.03 3f9k h HIS 157 N -0.24 0.75 -0.35 2.45 3.86 -0.82 0.33 115.15 121.12 3f9k h HIS 157 Ca 0.01 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3f9k h HIS 157 Cb 0.56 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 3f9k h HIS 157 CO 0.08 0.32 0.10 1.25 0.86 0.00 0.00 177.93 180.54 3f9k h LEU 158 N 0.72 0.08 -0.59 2.43 5.85 -0.59 -0.62 115.31 122.58 3f9k h LEU 158 Ca 0.36 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 59.07 3f9k h LEU 158 Cb 0.31 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3f9k h LEU 158 CO -0.23 0.08 0.18 0.11 -0.34 0.00 0.00 178.44 178.24 3f9k h LYS 159 N 0.23 0.92 -1.01 1.25 1.57 -0.53 0.01 116.57 119.02 3f9k h LYS 159 Ca 0.16 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3f9k h LYS 159 Cb 0.16 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 3f9k h LYS 159 CO -0.19 0.83 0.66 -0.91 -0.57 0.00 0.00 179.45 179.27 3f9k h ASN 160 N 0.84 1.10 -0.30 0.86 2.35 -0.14 0.10 115.58 120.39 3f9k h ASN 160 Ca 0.19 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 3f9k h ASN 160 Cb 0.29 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3f9k h ASN 160 CO -0.01 0.75 -0.07 -0.61 -1.65 0.00 0.00 177.43 175.84 3f9k h GLN 161 N 1.27 0.58 -0.95 0.81 5.75 -0.69 -2.34 115.11 119.54 3f9k h GLN 161 Ca 0.40 -0.22 0.13 0.00 -0.15 0.00 0.00 58.65 58.81 3f9k h GLN 161 Cb 0.01 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.44 3f9k h GLN 161 CO -0.13 0.77 0.57 0.82 -2.65 0.00 0.00 178.83 178.21 3f9k h ILE 162 N 0.35 0.86 -0.22 2.39 1.08 -0.51 -2.27 117.51 119.20 3f9k h ILE 162 Ca 0.08 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.26 3f9k h ILE 162 Cb 0.55 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 3f9k h ILE 162 CO 0.03 0.16 0.12 -1.28 -0.69 0.00 0.00 178.15 176.49 3f9k h SER 163 N 0.87 0.20 0.43 1.72 0.87 -0.46 -0.67 113.55 116.51 3f9k h SER 163 Ca 0.49 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.04 3f9k h SER 163 Cb 0.55 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3f9k h SER 163 CO -0.29 0.15 -0.06 0.03 -0.53 0.00 0.00 176.83 176.12 3f9k h ARG 164 N 0.26 0.00 0.00 2.24 3.08 -0.88 -3.02 114.38 116.06 3f9k h ARG 164 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3f9k h ARG 164 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3f9k h ARG 164 CO -0.04 0.06 0.00 0.44 -1.07 0.00 0.00 179.97 179.36 3f9k n ILE 165 N -3.38 0.93 -0.31 2.04 -5.35 -1.10 -4.84 119.36 107.36 3f9k n ILE 165 Ca -0.02 -0.95 0.15 0.00 -0.27 0.00 0.00 62.75 61.67 3f9k n ILE 165 Cb 0.21 0.54 0.33 0.00 -1.74 0.00 0.00 39.64 38.98 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 0.00 0.29 0.00 6.28 9.65 -0.98 -0.29 114.38 129.32 3f9k h ARG 166 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3f9k h ARG 166 Cb 0.49 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3f9k h ARG 166 CO 0.00 0.19 0.00 0.39 2.80 0.00 0.00 179.97 183.35 3f9k n GLU 167 N -5.13 0.79 0.00 0.20 4.71 -1.26 -3.33 120.64 116.62 3f9k n GLU 167 Ca 0.23 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.51 3f9k n GLU 167 Cb 0.72 -1.49 0.33 0.00 -1.01 0.00 0.00 31.44 29.99 3f9k n GLU 167 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3f9k n GLN 168 N -0.99 0.48 -3.50 3.49 6.02 -0.12 -4.90 117.38 117.87 3f9k n GLN 168 Ca 0.19 -0.28 -0.16 0.00 -0.01 0.00 0.00 57.00 56.73 3f9k n GLN 168 Cb 0.09 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.71 -1.73 -0.02 -1.58 0.00 -1.21 -5.08 121.76 109.43 3f9k s ALA 169 Ca 0.19 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 3f9k s ALA 169 Cb 0.19 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3f9k s ALA 169 CO 0.59 -0.47 0.18 -0.91 0.00 0.00 0.00 175.76 175.15 3f9k h ASN 170 N 2.74 -0.04 -4.11 0.00 2.35 -1.91 -3.47 115.58 111.14 3f9k h ASN 170 Ca -0.29 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.92 3f9k h ASN 170 Cb 1.18 0.01 0.14 0.00 0.05 0.00 0.00 38.32 39.70 3f9k h ASN 170 CO 0.39 0.07 0.48 0.42 -1.65 0.00 0.00 177.43 177.14 3f9k s THR 171 N -1.52 2.32 0.14 2.81 -4.23 -1.26 -4.94 115.64 108.95 3f9k s THR 171 Ca -0.01 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.68 3f9k s THR 171 Cb 0.00 -3.04 -0.17 0.00 1.34 0.00 0.00 72.50 70.63 3f9k s THR 171 CO 0.02 -0.05 1.32 0.40 -0.54 0.00 0.00 174.62 175.78 3f9k h ILE 172 N 0.60 1.44 -0.73 2.99 2.04 -1.98 -2.68 117.51 119.19 3f9k h ILE 172 Ca -0.50 -2.54 0.16 0.00 1.00 0.00 0.00 64.86 62.98 3f9k h ILE 172 Cb 1.32 2.46 -0.12 0.00 -0.74 0.00 0.00 36.82 39.73 3f9k h ILE 172 CO 0.54 0.75 0.03 -0.33 0.00 0.00 0.00 178.15 179.14 3f9k h GLU 173 N 0.18 0.13 0.02 2.37 3.07 -1.97 -0.91 114.58 117.46 3f9k h GLU 173 Ca -0.07 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3f9k h GLU 173 Cb 1.57 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 3f9k h GLU 173 CO 0.15 0.08 -0.01 1.15 -1.40 0.00 0.00 179.01 178.99 3f9k h THR 174 N 0.13 1.40 -0.35 1.13 2.02 -1.95 -3.29 112.91 112.00 3f9k h THR 174 Ca 0.40 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 3f9k h THR 174 Cb 0.70 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 3f9k h THR 174 CO -0.62 0.35 0.21 -0.29 0.37 0.00 0.00 175.52 175.54 3f9k h ILE 175 N -0.64 1.10 0.43 3.11 6.09 -1.08 -2.25 117.51 124.27 3f9k h ILE 175 Ca -0.00 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.23 3f9k h ILE 175 Cb 0.60 0.62 0.00 0.00 0.47 0.00 0.00 36.82 38.51 3f9k h ILE 175 CO 0.01 0.11 -0.21 0.58 -3.07 0.00 0.00 178.15 175.57 3f9k h VAL 176 N 0.48 0.58 -0.76 2.19 2.07 -1.29 -0.98 116.25 118.54 3f9k h VAL 176 Ca 0.13 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3f9k h VAL 176 Cb -0.01 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3f9k h VAL 176 CO -0.02 0.01 0.50 -0.07 0.02 0.00 0.00 177.57 178.00 3f9k h LEU 177 N -0.60 0.76 -0.45 2.57 3.38 -1.50 0.08 115.31 119.55 3f9k h LEU 177 Ca -0.06 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3f9k h LEU 177 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3f9k h LEU 177 CO 0.10 0.51 -0.04 0.24 0.09 0.00 0.00 178.44 179.33 3f9k h MET 178 N 0.87 0.83 -0.72 1.13 2.86 -1.27 -2.42 114.93 116.21 3f9k h MET 178 Ca 0.31 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3f9k h MET 178 Cb 0.14 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3f9k h MET 178 CO -0.10 0.91 0.37 0.00 1.06 0.00 0.00 176.91 179.15 3f9k h ALA 179 N 0.89 0.92 -0.36 6.32 0.00 0.02 -2.41 119.26 124.65 3f9k h ALA 179 Ca 0.12 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3f9k h ALA 179 Cb 0.56 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3f9k h ALA 179 CO 0.03 0.46 0.19 0.28 0.00 0.00 0.00 179.25 180.22 3f9k h VAL 180 N 1.00 1.00 -0.60 0.00 2.07 -0.93 -1.36 116.25 117.42 3f9k h VAL 180 Ca 0.25 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.74 3f9k h VAL 180 Cb 0.08 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 3f9k h VAL 180 CO -0.04 0.07 0.16 -0.74 0.02 0.00 0.00 177.57 177.05 3f9k h HIS 181 N 0.39 0.27 -0.40 1.57 6.17 -1.13 -0.99 115.15 121.03 3f9k h HIS 181 Ca 0.15 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.27 3f9k h HIS 181 Cb 0.04 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 29.92 3f9k h HIS 181 CO -0.09 0.02 0.26 0.00 0.71 0.00 0.00 177.93 178.83 3f9k h MET 183 N 0.54 0.46 0.00 0.00 2.86 -0.56 0.12 114.93 118.36 3f9k h MET 183 Ca 0.15 -0.21 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 3f9k h MET 183 Cb -0.06 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3f9k h MET 183 CO -0.03 0.75 -1.15 -0.91 1.06 0.00 0.00 176.91 176.63 3f9k h ASN 184 N 0.39 0.00 0.00 1.22 2.35 -1.09 -3.38 115.58 115.07 3f9k h ASN 184 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3f9k h ASN 184 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3f9k h ASN 184 CO 0.06 0.89 -0.89 0.49 -1.65 0.00 0.00 177.43 176.33 3f9k n PHE 185 N -3.21 0.00 0.21 1.19 3.72 -0.58 -2.05 117.46 116.74 3f9k n PHE 185 Ca -0.05 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.37 3f9k n PHE 185 Cb 0.93 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 39.41 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 -1.47 4.09 -3.25 -1.08 4.76 0.42 -4.91 118.16 116.72 3f9k n LYS 186 Ca -0.00 -0.20 -0.39 0.00 -2.87 0.00 0.00 58.31 54.85 3f9k n LYS 186 Cb 0.06 -0.81 -0.06 0.00 -1.84 0.00 0.00 35.03 32.38 3f9k n LYS 186 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3f9k s ARG 187 N -1.17 4.30 -0.03 1.97 0.52 -1.18 -2.98 118.95 120.38 3f9k s ARG 187 Ca 0.03 0.50 0.04 0.00 -0.52 0.00 0.00 55.73 55.78 3f9k s ARG 187 Cb 0.04 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 3f9k s ARG 187 CO 0.15 0.03 -0.16 0.50 0.02 0.00 0.00 175.30 175.84 3f9k s ARG 188 N 1.03 1.54 0.00 3.54 3.52 -1.26 -4.06 118.95 123.25 3f9k s ARG 188 Ca 0.27 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3f9k s ARG 188 Cb -0.15 -1.40 0.00 0.00 -1.56 0.00 0.00 34.95 31.84 3f9k s ARG 188 CO 0.11 0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 3f9k n GLY 189 N 2.98 -0.61 7.00 8.12 0.00 -1.09 -4.50 105.19 117.08 3f9k n GLY 189 Ca -0.17 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.88 0.13 -0.02 0.00 -1.26 -1.33 105.19 101.83 3f9k n GLY 190 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 3f9k n GLY 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3f9k h ILE 191 N 0.00 0.89 -0.82 -0.61 6.09 -2.02 -3.13 117.51 117.92 3f9k h ILE 191 Ca 0.00 -0.26 -0.32 0.00 -1.37 0.00 0.00 64.86 62.92 3f9k h ILE 191 Cb 0.00 1.05 -0.19 0.00 0.47 0.00 0.00 36.82 38.15 3f9k h ILE 191 CO 0.00 0.06 0.39 0.61 -3.07 0.00 0.00 178.15 176.14 3f9k n GLY 192 N -0.85 3.97 4.12 8.18 0.00 -1.26 -4.94 105.19 114.41 3f9k n GLY 192 Ca -0.09 -1.04 -0.45 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.50 -3.30 -4.41 1.61 8.00 -1.17 -4.97 116.55 111.80 3f9k n ASP 193 Ca 0.47 -1.29 -0.21 0.00 0.71 0.00 0.00 54.79 54.47 3f9k n ASP 193 Cb 1.48 -1.56 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 3f9k n ASP 193 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f9k s MET 194 N -7.47 1.51 0.54 -1.24 0.23 -0.44 -4.56 119.30 107.88 3f9k s MET 194 Ca 0.42 -1.76 -0.12 0.00 -1.03 0.00 0.00 55.69 53.20 3f9k s MET 194 Cb -0.24 -1.08 -0.06 0.00 -1.53 0.00 0.00 34.83 31.93 3f9k s MET 194 CO 0.97 0.03 0.95 0.95 -2.03 0.00 0.00 175.02 175.89 3f9k s THR 195 N -3.06 4.69 0.25 3.16 -4.23 -1.26 -2.68 115.64 112.51 3f9k s THR 195 Ca 0.29 0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 61.64 3f9k s THR 195 Cb 0.04 -3.80 0.22 0.00 1.34 0.00 0.00 72.50 70.29 3f9k s THR 195 CO 0.11 -0.88 1.76 -0.65 -0.54 0.00 0.00 174.62 174.42 3f9k h PRO 196 N 0.35 0.57 -0.14 3.99 0.11 -1.74 0.13 132.00 135.27 3f9k h PRO 196 Ca -0.46 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3f9k h PRO 196 Cb 1.19 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 3f9k h PRO 196 CO 0.62 0.37 -0.13 1.03 -0.21 0.00 0.00 178.00 179.68 3f9k h SER 197 N 0.58 -0.42 -0.48 -2.05 0.87 -1.75 0.23 113.55 110.54 3f9k h SER 197 Ca 0.41 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 61.09 3f9k h SER 197 Cb 0.55 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 3f9k h SER 197 CO -0.34 -0.17 0.27 -0.33 -0.53 0.00 0.00 176.83 175.72 3f9k h GLU 198 N -0.15 0.52 -0.46 2.24 5.08 -1.59 -0.95 114.58 119.26 3f9k h GLU 198 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3f9k h GLU 198 Cb 0.29 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3f9k h GLU 198 CO -0.24 0.34 0.28 -0.09 -1.00 0.00 0.00 179.01 178.31 3f9k h ARG 199 N 0.53 0.62 0.18 2.33 2.43 -0.52 0.11 114.38 120.06 3f9k h ARG 199 Ca 0.20 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3f9k h ARG 199 Cb 0.05 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3f9k h ARG 199 CO -0.11 0.45 -0.09 1.25 -1.51 0.00 0.00 179.97 179.97 3f9k h LEU 200 N 0.62 -0.20 -0.87 3.80 5.85 -0.70 -1.31 115.31 122.49 3f9k h LEU 200 Ca 0.17 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3f9k h LEU 200 Cb -0.02 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 3f9k h LEU 200 CO -0.03 0.02 0.52 0.40 -0.34 0.00 0.00 178.44 179.01 3f9k h ILE 201 N -0.42 0.95 -0.35 4.05 5.03 -1.05 -1.48 117.51 124.24 3f9k h ILE 201 Ca -0.02 -0.30 -0.10 0.00 -0.12 0.00 0.00 64.86 64.32 3f9k h ILE 201 Cb 0.33 -0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 34.09 3f9k h ILE 201 CO 0.04 0.16 -0.18 -1.13 -0.68 0.00 0.00 178.15 176.36 3f9k h ASN 202 N 0.89 0.65 -0.43 1.72 -1.24 -0.64 -2.28 115.58 114.25 3f9k h ASN 202 Ca 0.41 -0.21 -0.10 0.00 0.71 0.00 0.00 56.30 57.11 3f9k h ASN 202 Cb 0.33 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 3f9k h ASN 202 CO -0.23 0.83 -0.14 0.24 -1.29 0.00 0.00 177.43 176.84 3f9k h MET 203 N 0.58 0.85 -0.91 6.67 2.86 -0.52 -2.76 114.93 121.70 3f9k h MET 203 Ca 0.09 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 3f9k h MET 203 Cb 0.63 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 3f9k h MET 203 CO 0.04 0.98 0.52 0.82 1.06 0.00 0.00 176.91 180.33 3f9k h ILE 204 N 0.68 1.26 -0.39 -1.22 2.04 -1.06 -2.88 117.51 115.93 3f9k h ILE 204 Ca 0.10 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.23 3f9k h ILE 204 Cb 0.69 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3f9k h ILE 204 CO 0.05 0.28 -0.25 0.74 0.00 0.00 0.00 178.15 178.97 3f9k h THR 205 N 1.27 1.27 -0.03 -0.27 2.02 -1.33 -3.52 112.91 112.33 3f9k h THR 205 Ca 0.32 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3f9k h THR 205 Cb -0.00 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3f9k h THR 205 CO -0.06 0.46 0.00 0.35 0.37 0.00 0.00 175.52 176.64