#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 -1.80 7.52 -0.00 -2.04 -2.77 115.31 116.22 3f9k h LEU 2 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.99 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 0.53 -0.33 -0.00 0.00 0.00 178.44 178.64 3f9k h GLU 3 N 0.00 0.00 0.00 0.17 4.39 -2.04 -1.75 114.58 115.34 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 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3f9k h GLU 3 CO 0.00 0.00 -1.41 1.63 -1.16 0.00 0.00 179.01 178.07 3f9k n LYS 4 N -3.42 0.42 0.19 2.33 5.02 -1.04 -4.57 118.16 117.09 3f9k n LYS 4 Ca 0.07 -0.07 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3f9k n LYS 4 Cb 0.68 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.58 -0.48 -0.18 5.03 -1.46 -2.49 117.51 118.51 3f9k h ILE 5 Ca 0.00 -0.50 0.07 0.00 -0.12 0.00 0.00 64.86 64.31 3f9k h ILE 5 Cb 0.83 0.81 -0.10 0.00 -3.03 0.00 0.00 36.82 35.33 3f9k h ILE 5 CO 0.00 0.09 -0.45 -0.33 -0.68 0.00 0.00 178.15 176.78 3f9k h GLU 6 N -0.81 -0.28 -0.70 2.37 4.39 -1.81 -1.98 114.58 115.76 3f9k h GLU 6 Ca -0.05 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 3f9k h GLU 6 Cb 0.53 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 3f9k h GLU 6 CO 0.08 -0.19 0.27 -1.35 -1.16 0.00 0.00 179.01 176.66 3f9k h PRO 7 N -0.29 1.04 -0.45 2.33 0.11 -1.82 -1.92 132.00 131.00 3f9k h PRO 7 Ca 0.15 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3f9k h PRO 7 Cb 0.58 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3f9k h PRO 7 CO -0.63 0.86 0.17 0.00 -0.21 0.00 0.00 178.00 178.19 3f9k h ALA 8 N 1.27 0.59 0.00 -0.75 0.00 -0.92 0.16 119.26 119.61 3f9k h ALA 8 Ca 0.23 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3f9k h ALA 8 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3f9k h ALA 8 CO -0.02 0.21 -0.83 -0.56 0.00 0.00 0.00 179.25 178.05 3f9k h GLN 9 N 0.59 0.00 -0.40 0.00 3.07 -1.33 -1.99 115.11 115.04 3f9k h GLN 9 Ca 0.15 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.91 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 0.83 0.22 1.49 0.09 0.00 0.00 178.83 181.46 3f9k h GLU 10 N 0.00 0.43 -0.81 0.06 4.57 -1.16 -0.86 114.58 116.81 3f9k h GLU 10 Ca -0.01 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3f9k h GLU 10 Cb 1.51 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.96 3f9k h GLU 10 CO 0.11 0.29 0.52 1.49 -1.18 0.00 0.00 179.01 180.24 3f9k h GLU 11 N 0.45 1.01 -0.24 1.92 4.57 -0.48 -2.42 114.58 119.39 3f9k h GLU 11 Ca 0.16 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.11 3f9k h GLU 11 Cb 0.04 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 3f9k h GLU 11 CO -0.09 0.67 -0.52 1.25 -1.18 0.00 0.00 179.01 179.13 3f9k h HIS 12 N 1.04 0.98 -0.36 0.92 2.76 -1.13 -1.66 115.15 117.69 3f9k h HIS 12 Ca 0.32 -0.36 0.07 0.00 -2.20 0.00 0.00 60.37 58.19 3f9k h HIS 12 Cb -0.03 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 3f9k h HIS 12 CO -0.02 1.17 0.25 0.93 -1.30 0.00 0.00 177.93 178.96 3f9k h GLU 13 N 0.51 0.18 0.03 5.26 5.08 -0.97 0.83 114.58 125.50 3f9k h GLU 13 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3f9k h GLU 13 Cb 1.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3f9k h GLU 13 CO 0.11 0.12 -0.22 -0.22 -1.00 0.00 0.00 179.01 177.80 3f9k h LYS 14 N 0.19 0.06 0.00 2.33 3.64 -1.22 -3.41 116.57 118.16 3f9k h LYS 14 Ca 0.16 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3f9k h LYS 14 Cb 0.41 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3f9k h LYS 14 CO -0.03 1.05 -0.85 0.66 -2.27 0.00 0.00 179.45 178.02 3f9k n TYR 15 N -4.50 0.00 -3.09 1.91 4.01 -0.64 -5.02 117.16 109.83 3f9k n TYR 15 Ca -0.12 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.45 3f9k n TYR 15 Cb 0.56 -0.03 0.04 0.00 -0.31 0.00 0.00 39.34 39.61 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 -1.44 -1.85 -1.58 -0.72 8.25 0.29 -4.93 115.22 113.24 3f9k n HIS 16 Ca -0.00 0.59 -0.48 0.00 -0.26 0.00 0.00 57.72 57.57 3f9k n HIS 16 Cb 0.04 -3.84 -0.04 0.00 1.12 0.00 0.00 29.99 27.27 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 -1.67 1.44 -3.70 0.41 7.64 -1.26 -4.97 113.62 111.51 3f9k n SER 17 Ca -0.04 1.14 -0.30 0.00 1.01 0.00 0.00 58.87 60.68 3f9k n SER 17 Cb 0.57 -1.23 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 0.00 1.16 0.07 6.43 2.20 -1.16 -4.74 114.94 118.90 3f9k s ASN 18 Ca 0.72 0.40 -0.36 0.00 -0.94 0.00 0.00 52.86 52.69 3f9k s ASN 18 Cb -0.83 -0.48 -0.20 0.00 -2.00 0.00 0.00 41.25 37.73 3f9k s ASN 18 CO 0.52 -3.95 1.60 0.58 -2.94 0.00 0.00 177.10 172.90 3f9k h VAL 19 N -2.47 0.16 -0.58 3.54 2.07 -1.92 -1.96 116.25 115.08 3f9k h VAL 19 Ca -0.43 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.20 3f9k h VAL 19 Cb 1.26 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3f9k h VAL 19 CO 0.29 0.00 0.39 0.11 0.02 0.00 0.00 177.57 178.38 3f9k h LYS 20 N -1.15 0.34 -0.04 1.57 1.57 -1.94 -1.40 116.57 115.51 3f9k h LYS 20 Ca -0.12 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3f9k h LYS 20 Cb 0.88 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 3f9k h LYS 20 CO 0.19 0.22 -0.06 1.49 -0.57 0.00 0.00 179.45 180.72 3f9k h GLU 21 N 0.35 0.11 -0.40 3.15 4.57 -1.77 -2.26 114.58 118.32 3f9k h GLU 21 Ca 0.27 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 3f9k h GLU 21 Cb 0.60 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 3f9k h GLU 21 CO -0.07 0.62 0.09 -0.07 -1.18 0.00 0.00 179.01 178.40 3f9k h LEU 22 N -0.38 0.03 -0.29 1.64 3.38 -0.55 0.32 115.31 119.46 3f9k h LEU 22 Ca 0.00 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3f9k h LEU 22 Cb 0.61 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3f9k h LEU 22 CO 0.01 0.05 -0.08 0.28 0.09 0.00 0.00 178.44 178.80 3f9k h SER 23 N 0.22 -0.28 -0.12 -0.43 0.02 -1.36 -2.23 113.55 109.37 3f9k h SER 23 Ca 0.19 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 3f9k h SER 23 Cb 0.22 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3f9k h SER 23 CO -0.24 -0.10 0.03 -0.74 -1.14 0.00 0.00 176.83 174.63 3f9k h HIS 24 N -0.01 0.21 -0.72 3.45 -0.00 -0.71 0.23 115.15 117.59 3f9k h HIS 24 Ca 0.14 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 3f9k h HIS 24 Cb 0.22 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.54 3f9k h HIS 24 CO -0.28 0.37 0.30 -0.22 -0.00 0.00 0.00 177.93 178.09 3f9k h LYS 25 N -0.02 1.06 -0.00 5.26 1.63 -0.31 -3.32 116.57 120.87 3f9k h LYS 25 Ca 0.04 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 3f9k h LYS 25 Cb 0.27 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3f9k h LYS 25 CO 0.00 0.86 -0.18 1.19 -3.45 0.00 0.00 179.45 177.86 3f9k n PHE 26 N -4.30 0.00 -1.63 1.91 3.72 -0.85 -5.00 117.46 111.32 3f9k n PHE 26 Ca 0.07 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.35 3f9k n PHE 26 Cb 0.17 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.98 0.79 3.82 1.37 0.00 0.79 -5.00 105.19 107.93 3f9k n GLY 27 Ca 0.01 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.46 4.48 0.51 -0.61 -4.36 -1.20 -4.96 121.20 112.60 3f9k s ILE 28 Ca 0.00 1.37 -0.23 0.00 -0.26 0.00 0.00 60.65 61.53 3f9k s ILE 28 Cb 0.00 -3.79 -0.06 0.00 1.25 0.00 0.00 42.46 39.86 3f9k s ILE 28 CO 0.00 0.00 1.39 -2.84 0.24 0.00 0.00 174.94 173.73 3f9k s PRO 29 N -2.46 3.34 0.25 0.37 0.02 -1.26 -4.41 135.00 130.85 3f9k s PRO 29 Ca 0.51 2.32 -0.03 0.00 0.02 0.00 0.00 61.00 63.82 3f9k s PRO 29 Cb -0.14 -2.41 0.50 0.00 0.02 0.00 0.00 34.50 32.48 3f9k s PRO 29 CO 0.19 -1.06 1.72 -0.97 -0.33 0.00 0.00 177.00 176.55 3f9k h ASN 30 N 1.78 0.27 -0.60 2.53 -1.24 -1.97 -1.62 115.58 114.73 3f9k h ASN 30 Ca -0.51 0.12 -0.06 0.00 0.71 0.00 0.00 56.30 56.56 3f9k h ASN 30 Cb 1.29 0.10 -0.03 0.00 0.73 0.00 0.00 38.32 40.41 3f9k h ASN 30 CO 0.59 0.08 0.15 -0.07 -1.29 0.00 0.00 177.43 176.88 3f9k h LEU 31 N 0.43 0.93 -0.61 0.34 -0.00 -1.99 0.14 115.31 114.56 3f9k h LEU 31 Ca 0.44 -0.19 -0.07 0.00 -0.00 0.00 0.00 57.88 58.06 3f9k h LEU 31 Cb 0.70 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 3f9k h LEU 31 CO -0.43 0.91 0.09 0.58 -0.00 0.00 0.00 178.44 179.58 3f9k h VAL 32 N 0.94 1.26 -0.23 1.22 2.07 -1.68 -1.53 116.25 118.30 3f9k h VAL 32 Ca 0.20 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3f9k h VAL 32 Cb 0.35 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3f9k h VAL 32 CO 0.00 0.37 0.11 0.00 0.02 0.00 0.00 177.57 178.08 3f9k h ALA 33 N 1.02 0.30 -0.90 1.67 0.00 -0.93 -2.59 119.26 117.83 3f9k h ALA 33 Ca 0.18 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3f9k h ALA 33 Cb 0.44 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3f9k h ALA 33 CO 0.01 -0.14 0.57 -0.09 0.00 0.00 0.00 179.25 179.61 3f9k h ARG 34 N 0.25 1.03 -0.58 0.00 2.43 -0.79 -2.40 114.38 114.32 3f9k h ARG 34 Ca 0.08 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3f9k h ARG 34 Cb 0.12 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3f9k h ARG 34 CO -0.01 0.68 -0.02 -0.56 -1.51 0.00 0.00 179.97 178.55 3f9k h GLN 35 N 1.06 1.02 -0.59 0.20 -0.00 -1.11 -1.00 115.11 114.69 3f9k h GLN 35 Ca 0.38 -0.33 -0.02 0.00 -0.00 0.00 0.00 58.65 58.69 3f9k h GLN 35 Cb 0.13 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.48 27.49 3f9k h GLN 35 CO -0.16 1.01 0.30 0.82 -0.00 0.00 0.00 178.83 180.80 3f9k h ILE 36 N 0.93 1.20 -0.31 1.86 2.04 -1.05 -0.15 117.51 122.03 3f9k h ILE 36 Ca 0.16 -0.55 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 3f9k h ILE 36 Cb 0.57 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3f9k h ILE 36 CO 0.03 0.23 -0.21 0.58 0.00 0.00 0.00 178.15 178.78 3f9k h VAL 37 N 0.80 1.30 -0.52 1.67 2.07 -1.30 -3.16 116.25 117.10 3f9k h VAL 37 Ca 0.20 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 3f9k h VAL 37 Cb 0.09 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3f9k h VAL 37 CO -0.03 0.43 0.07 0.78 0.02 0.00 0.00 177.57 178.84 3f9k h ASN 38 N 0.45 0.85 0.00 0.57 2.35 -1.00 -2.21 115.58 116.58 3f9k h ASN 38 Ca 0.06 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3f9k h ASN 38 Cb 0.76 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3f9k h ASN 38 CO 0.06 0.91 0.00 -1.54 -1.65 0.00 0.00 177.43 175.20 3f9k n SER 39 N -4.36 0.00 -4.73 5.81 3.41 -0.09 -4.72 113.62 108.94 3f9k n SER 39 Ca 0.02 -0.90 -0.38 0.00 -0.26 0.00 0.00 58.87 57.35 3f9k n SER 39 Cb 0.27 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 6.57 1.17 -0.60 0.00 0.00 -1.86 -2.87 119.26 121.66 3f9k h ALA 41 Ca -0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3f9k h ALA 41 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3f9k h ALA 41 CO 0.75 -0.01 0.00 1.04 0.00 0.00 0.00 179.25 181.02 3f9k n GLN 42 N -4.83 3.60 -4.19 0.00 3.00 -1.26 -5.20 117.38 108.50 3f9k n GLN 42 Ca 0.14 -2.67 -0.15 0.00 -0.01 0.00 0.00 57.00 54.31 3f9k n GLN 42 Cb 0.34 -1.87 -0.11 0.00 0.00 0.00 0.00 30.24 28.60 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 0.52 0.00 -3.68 0.00 0.31 -1.23 -5.01 118.33 109.24 3f9k n VAL 54 Ca -0.16 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 0.18 3.39 0.21 4.52 2.47 -1.26 -4.74 114.94 119.72 3f9k s ASN 55 Ca 0.00 -2.99 0.05 0.00 0.42 0.00 0.00 52.86 50.34 3f9k s ASN 55 Cb 0.00 -1.02 -0.02 0.00 -1.45 0.00 0.00 41.25 38.76 3f9k s ASN 55 CO 0.00 -0.21 0.17 0.00 -3.72 0.00 0.00 177.10 173.34 3f9k n ALA 56 N 3.05 0.44 -1.76 1.71 0.00 -1.26 -5.06 120.51 117.64 3f9k n ALA 56 Ca 0.16 -1.24 -0.37 0.00 0.00 0.00 0.00 53.44 51.99 3f9k n ALA 56 Cb 0.38 0.98 0.02 0.00 0.00 0.00 0.00 19.45 20.83 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 -2.87 3.33 0.41 0.00 2.56 -1.26 -4.76 118.70 116.11 3f9k s GLU 57 Ca 0.24 1.93 0.10 0.00 0.00 0.00 0.00 54.97 57.23 3f9k s GLU 57 Cb 0.01 -2.21 0.88 0.00 2.00 0.00 0.00 34.13 34.81 3f9k s GLU 57 CO 0.17 -0.95 1.99 1.25 -0.56 0.00 0.00 175.26 177.16 3f9k h LEU 58 N 1.51 0.25 -0.36 2.70 5.85 -1.98 -2.83 115.31 120.44 3f9k h LEU 58 Ca -0.50 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3f9k h LEU 58 Cb 1.28 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3f9k h LEU 58 CO 0.58 0.31 -0.08 0.61 -0.34 0.00 0.00 178.44 179.53 3f9k n GLY 59 N -1.13 -0.73 3.67 3.75 0.00 -1.26 -4.89 105.19 104.60 3f9k n GLY 59 Ca -0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.29 5.00 0.14 2.61 2.01 -1.07 -0.75 115.64 121.30 3f9k s THR 60 Ca 0.34 1.29 0.08 0.00 0.31 0.00 0.00 61.69 63.71 3f9k s THR 60 Cb 0.21 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 3f9k s THR 60 CO 0.43 0.12 -0.18 0.26 -0.69 0.00 0.00 174.62 174.56 3f9k s TRP 61 N 1.77 1.72 -0.05 4.92 0.52 -0.07 -2.81 118.94 124.94 3f9k s TRP 61 Ca 0.31 -0.47 0.06 0.00 0.02 0.00 0.00 56.10 56.02 3f9k s TRP 61 Cb -0.16 -0.89 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 3f9k s TRP 61 CO 0.12 0.26 -0.22 -0.65 0.02 0.00 0.00 176.95 176.47 3f9k s GLN 62 N -2.48 2.49 0.16 4.98 -0.21 -0.14 -0.93 119.66 123.52 3f9k s GLN 62 Ca 0.11 -0.85 0.11 0.00 0.02 0.00 0.00 55.36 54.75 3f9k s GLN 62 Cb -0.07 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 3f9k s GLN 62 CO 0.05 0.47 -0.26 1.41 -2.12 0.00 0.00 175.29 174.84 3f9k s MET 63 N -0.36 1.45 0.17 2.91 1.75 -1.04 -0.06 119.30 124.11 3f9k s MET 63 Ca 0.03 -1.42 -0.24 0.00 -1.25 0.00 0.00 55.69 52.80 3f9k s MET 63 Cb -0.12 -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 0.88 0.34 -0.65 0.00 0.00 175.02 176.03 3f9k s ASP 64 N -2.32 -0.24 0.07 1.11 2.15 0.32 -4.46 116.67 113.30 3f9k s ASP 64 Ca 0.17 -0.39 0.08 0.00 0.43 0.00 0.00 52.55 52.84 3f9k s ASP 64 Cb -0.09 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.03 3f9k s ASP 64 CO 0.08 -0.98 -0.18 0.00 -0.17 0.00 0.00 175.17 173.91 3f9k s THR 66 N -0.99 0.18 0.04 0.00 -1.32 -0.11 -5.01 115.64 108.44 3f9k s THR 66 Ca 0.16 -1.72 0.08 0.00 -1.21 0.00 0.00 61.69 58.99 3f9k s THR 66 Cb -0.10 -1.60 -0.02 0.00 -1.51 0.00 0.00 72.50 69.26 3f9k s THR 66 CO 0.07 -0.83 -0.22 -1.00 -2.21 0.00 0.00 174.62 170.42 3f9k s HIS 67 N -3.94 1.93 -0.20 9.09 3.76 -1.26 -0.55 115.29 124.13 3f9k s HIS 67 Ca 0.10 -0.38 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 3f9k s HIS 67 Cb 0.07 -1.16 0.07 0.00 1.11 0.00 0.00 32.58 32.67 3f9k s HIS 67 CO -0.08 0.08 0.46 -1.17 -0.85 0.00 0.00 174.74 173.18 3f9k s LEU 68 N -1.11 -0.41 -1.63 0.89 0.20 -0.60 -4.91 118.68 111.12 3f9k s LEU 68 Ca 0.08 1.03 -0.15 0.00 0.69 0.00 0.00 54.13 55.79 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 0.02 -0.21 0.76 -0.62 -0.29 0.00 0.00 176.35 176.00 3f9k n GLU 69 N 4.66 -3.59 -0.88 1.98 1.02 -1.26 -0.37 120.64 122.21 3f9k n GLU 69 Ca -0.18 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3f9k n GLU 69 Cb 0.54 -5.07 0.00 0.00 -0.02 0.00 0.00 31.44 26.89 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 -1.55 0.47 3.91 0.62 0.00 -1.26 -5.00 105.19 102.38 3f9k n GLY 70 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 0.50 -5.09 119.74 122.40 3f9k s LYS 71 Ca 0.00 -0.33 -0.13 0.00 -1.01 0.00 0.00 55.97 54.50 3f9k s LYS 71 Cb 0.00 -2.96 -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 0.00 175.35 177.10 3f9k s ILE 72 N -1.59 5.25 -0.22 2.17 1.01 -1.26 -1.55 121.20 125.00 3f9k s ILE 72 Ca 0.37 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 61.19 3f9k s ILE 72 Cb -0.12 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3f9k s ILE 72 CO 0.27 0.14 0.03 -0.63 0.00 0.00 0.00 174.94 174.75 3f9k s ILE 73 N 1.89 4.13 -0.01 2.92 1.01 0.29 -0.97 121.20 130.46 3f9k s ILE 73 Ca 0.10 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 3f9k s ILE 73 Cb -0.16 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 3f9k s ILE 73 CO 0.11 0.40 0.36 -0.51 0.00 0.00 0.00 174.94 175.30 3f9k s ILE 74 N 1.20 5.12 -0.04 2.92 2.07 0.29 -0.93 121.20 131.83 3f9k s ILE 74 Ca 0.04 0.69 0.01 0.00 -1.41 0.00 0.00 60.65 59.98 3f9k s ILE 74 Cb -0.14 -3.65 0.02 0.00 0.13 0.00 0.00 42.46 38.81 3f9k s ILE 74 CO 0.02 0.56 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.88 3f9k s VAL 75 N -1.10 0.43 -0.03 4.00 1.01 0.42 -1.88 120.40 123.25 3f9k s VAL 75 Ca 0.23 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.19 3f9k s VAL 75 Cb -0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 3f9k s VAL 75 CO 0.12 0.19 -0.22 0.00 0.00 0.00 0.00 175.10 175.19 3f9k s ALA 76 N 0.82 1.89 -0.09 5.51 0.00 0.89 -0.52 121.76 130.26 3f9k s ALA 76 Ca -0.10 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 50.93 3f9k s ALA 76 Cb -0.13 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3f9k s ALA 76 CO -0.00 0.42 -0.14 0.08 0.00 0.00 0.00 175.76 176.12 3f9k s VAL 77 N -0.35 1.35 -0.52 0.00 1.01 0.91 -0.77 120.40 122.02 3f9k s VAL 77 Ca 0.04 -0.58 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 3f9k s VAL 77 Cb -0.10 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.07 3f9k s VAL 77 CO 0.01 0.41 1.36 -2.28 0.00 0.00 0.00 175.10 174.59 3f9k s HIS 78 N 0.79 2.41 0.23 5.22 2.46 0.41 -0.97 115.29 125.84 3f9k s HIS 78 Ca -0.11 0.54 -0.07 0.00 0.47 0.00 0.00 55.06 55.88 3f9k s HIS 78 Cb -0.16 -4.40 0.30 0.00 -0.13 0.00 0.00 32.58 28.20 3f9k s HIS 78 CO 0.02 -1.85 1.81 0.28 -2.47 0.00 0.00 174.74 172.53 3f9k h VAL 79 N 6.36 0.96 -0.57 0.89 2.07 -1.83 0.17 116.25 124.30 3f9k h VAL 79 Ca -0.26 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 3f9k h VAL 79 Cb 1.09 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3f9k h VAL 79 CO 1.15 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 178.82 3f9k h ALA 80 N 1.39 0.81 0.00 1.67 0.00 -1.81 -3.27 119.26 118.05 3f9k h ALA 80 Ca 0.34 -0.33 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 3f9k h ALA 80 Cb 0.24 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3f9k h ALA 80 CO -0.20 0.67 -2.22 -1.13 0.00 0.00 0.00 179.25 176.37 3f9k n SER 81 N -4.16 0.07 0.00 0.00 3.41 -0.99 -3.70 113.62 108.26 3f9k n SER 81 Ca 0.02 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3f9k n SER 81 Cb 0.38 1.16 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 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 0.58 -4.70 105.19 112.13 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 -2.37 3.03 0.12 1.61 5.36 -1.23 -4.82 117.98 119.68 3f9k s PHE 83 Ca 0.00 0.97 0.11 0.00 -0.96 0.00 0.00 56.93 57.05 3f9k s PHE 83 Cb 0.00 -3.83 -0.04 0.00 -0.34 0.00 0.00 43.02 38.81 3f9k s PHE 83 CO 0.00 -2.75 -0.27 0.96 -1.46 0.00 0.00 175.22 171.70 3f9k s ILE 84 N 0.20 2.26 -0.04 3.12 -4.36 -1.26 -0.44 121.20 120.67 3f9k s ILE 84 Ca 0.61 -1.71 0.05 0.00 -0.26 0.00 0.00 60.65 59.34 3f9k s ILE 84 Cb -0.42 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 3f9k s ILE 84 CO 0.41 0.13 -0.19 -1.61 0.24 0.00 0.00 174.94 173.91 3f9k s GLU 85 N -1.95 1.91 0.02 0.37 0.41 0.05 -4.93 118.70 114.57 3f9k s GLU 85 Ca 0.14 -0.69 -0.15 0.00 -0.41 0.00 0.00 54.97 53.85 3f9k s GLU 85 Cb -0.10 -1.68 0.02 0.00 -1.78 0.00 0.00 34.13 30.59 3f9k s GLU 85 CO 0.06 0.31 0.33 0.00 -0.49 0.00 0.00 175.26 175.46 3f9k s ALA 86 N -0.10 -0.79 -0.07 5.21 0.00 -1.26 -0.08 121.76 124.67 3f9k s ALA 86 Ca -0.02 0.21 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 3f9k s ALA 86 Cb -0.11 0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.29 3f9k s ALA 86 CO 0.02 -0.35 0.71 -2.00 0.00 0.00 0.00 175.76 174.14 3f9k s GLU 87 N -1.98 1.01 -0.07 0.00 2.12 -0.79 -4.73 118.70 114.27 3f9k s GLU 87 Ca -0.09 0.29 -0.22 0.00 0.36 0.00 0.00 54.97 55.31 3f9k s GLU 87 Cb -0.03 0.48 -0.04 0.00 0.26 0.00 0.00 34.13 34.80 3f9k s GLU 87 CO 0.00 -0.31 0.65 0.08 -0.54 0.00 0.00 175.26 175.15 3f9k s VAL 88 N -1.10 5.06 0.02 3.70 1.01 -1.26 -0.55 120.40 127.28 3f9k s VAL 88 Ca -0.10 1.35 0.06 0.00 0.00 0.00 0.00 61.98 63.29 3f9k s VAL 88 Cb -0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3f9k s VAL 88 CO 0.09 0.28 -0.16 0.27 0.00 0.00 0.00 175.10 175.58 3f9k s ILE 89 N 0.69 2.97 0.21 2.22 -4.36 -0.14 -4.95 121.20 117.84 3f9k s ILE 89 Ca 0.35 -1.03 -0.10 0.00 -0.26 0.00 0.00 60.65 59.61 3f9k s ILE 89 Cb -0.17 -2.24 0.15 0.00 1.25 0.00 0.00 42.46 41.44 3f9k s ILE 89 CO 0.17 0.39 1.83 1.55 0.24 0.00 0.00 174.94 179.12 3f9k h PRO 90 N 4.68 0.78 -3.53 0.37 0.13 -1.98 -3.38 132.00 129.08 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 -0.18 -0.18 0.00 0.13 0.00 0.00 31.00 31.93 3f9k h PRO 90 CO 0.49 0.52 -0.42 1.14 -0.23 0.00 0.00 178.00 179.50 3f9k s GLN 91 N -6.11 0.63 0.00 0.86 0.00 -1.26 -4.93 119.66 108.85 3f9k s GLN 91 Ca -0.13 -0.55 -0.03 0.00 -0.00 0.00 0.00 55.36 54.65 3f9k s GLN 91 Cb 0.16 0.26 -0.15 0.00 0.00 0.00 0.00 33.01 33.28 3f9k s GLN 91 CO 0.77 -0.17 2.53 -1.91 0.00 0.00 0.00 175.29 176.51 3f9k n GLU 92 N 0.93 1.33 -2.55 9.60 2.13 -1.26 -4.71 120.64 126.10 3f9k n GLU 92 Ca -0.20 -0.56 -0.26 0.00 0.66 0.00 0.00 57.16 56.80 3f9k n GLU 92 Cb 0.58 -1.68 0.02 0.00 0.27 0.00 0.00 31.44 30.63 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 2.18 5.69 0.21 4.31 1.04 -1.26 -4.58 113.70 121.29 3f9k s SER 93 Ca 0.38 0.62 -0.10 0.00 0.48 0.00 0.00 55.95 57.32 3f9k s SER 93 Cb 0.18 -1.69 0.18 0.00 0.10 0.00 0.00 66.02 64.79 3f9k s SER 93 CO 0.00 -0.95 1.87 1.23 0.98 0.00 0.00 173.24 176.37 3f9k h GLY 94 N -0.01 1.07 0.88 7.32 0.00 -1.89 -2.66 103.07 107.78 3f9k h GLY 94 Ca -0.46 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 3f9k h GLY 94 CO 0.60 0.35 0.07 -0.09 0.00 0.00 0.00 176.54 177.46 3f9k h ARG 95 N 0.97 0.24 -0.63 4.80 2.43 -1.94 0.39 114.38 120.64 3f9k h ARG 95 Ca 0.29 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3f9k h ARG 95 Cb -0.06 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3f9k h ARG 95 CO -0.08 0.32 0.37 1.96 -1.51 0.00 0.00 179.97 181.03 3f9k h GLN 96 N 0.11 0.85 0.18 0.20 1.08 -1.83 0.20 115.11 115.91 3f9k h GLN 96 Ca 0.05 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3f9k h GLN 96 Cb 0.17 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3f9k h GLN 96 CO -0.00 0.60 -0.09 1.15 -0.95 0.00 0.00 178.83 179.54 3f9k h THR 97 N 0.87 0.91 -0.78 -0.54 2.02 -1.25 -1.58 112.91 112.55 3f9k h THR 97 Ca 0.23 -0.54 0.11 0.00 0.77 0.00 0.00 66.41 66.99 3f9k h THR 97 Cb -0.02 1.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.54 3f9k h THR 97 CO -0.04 0.12 0.39 0.00 0.37 0.00 0.00 175.52 176.36 3f9k h ALA 98 N 0.24 1.11 -0.47 6.16 0.00 -0.30 0.11 119.26 126.11 3f9k h ALA 98 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3f9k h ALA 98 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3f9k h ALA 98 CO 0.04 -0.05 0.30 -0.07 0.00 0.00 0.00 179.25 179.47 3f9k h LEU 99 N 0.63 0.54 -0.63 0.00 4.07 -0.58 -1.24 115.31 118.10 3f9k h LEU 99 Ca 0.40 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.33 3f9k h LEU 99 Cb 0.48 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 3f9k h LEU 99 CO -0.31 0.41 0.38 0.15 -1.08 0.00 0.00 178.44 177.99 3f9k h PHE 100 N 0.63 0.83 -0.41 1.13 3.57 -0.15 -2.04 116.94 120.50 3f9k h PHE 100 Ca 0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3f9k h PHE 100 Cb -0.05 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 3f9k h PHE 100 CO -0.04 0.57 0.26 1.25 -2.23 0.00 0.00 178.31 178.11 3f9k h LEU 101 N 0.86 0.43 -0.94 0.59 6.46 -0.57 -1.45 115.31 120.69 3f9k h LEU 101 Ca 0.23 -0.00 0.06 0.00 -0.12 0.00 0.00 57.88 58.04 3f9k h LEU 101 Cb -0.02 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 39.75 3f9k h LEU 101 CO -0.04 0.31 0.60 -0.07 -0.62 0.00 0.00 178.44 178.61 3f9k h LEU 102 N 0.52 0.96 0.24 2.25 3.38 -0.86 0.14 115.31 121.93 3f9k h LEU 102 Ca 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3f9k h LEU 102 Cb -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3f9k h LEU 102 CO -0.05 0.63 -0.11 0.11 0.09 0.00 0.00 178.44 179.10 3f9k h LYS 103 N 1.11 -0.30 -0.41 1.13 1.57 -0.97 -1.43 116.57 117.27 3f9k h LYS 103 Ca 0.40 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.27 3f9k h LYS 103 Cb 0.12 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 3f9k h LYS 103 CO -0.16 -0.20 0.01 1.25 -0.57 0.00 0.00 179.45 179.79 3f9k h LEU 104 N -0.32 -0.14 -1.52 2.94 5.85 -0.61 -1.80 115.31 119.72 3f9k h LEU 104 Ca -0.03 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3f9k h LEU 104 Cb 0.25 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3f9k h LEU 104 CO 0.05 -0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.12 3f9k h ALA 105 N 1.35 1.00 0.00 1.25 0.00 -0.59 -1.69 119.26 120.58 3f9k h ALA 105 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3f9k h ALA 105 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3f9k h ALA 105 CO -0.32 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.80 3f9k n SER 106 N -2.96 0.00 -0.02 0.00 3.41 -0.55 -4.12 113.62 109.38 3f9k n SER 106 Ca 0.00 0.30 -0.04 0.00 -0.26 0.00 0.00 58.87 58.87 3f9k n SER 106 Cb 0.27 -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 0.10 -4.25 4.33 1.74 -0.85 -5.09 116.66 111.21 3f9k n ARG 107 Ca 0.09 0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 3f9k n ARG 107 Cb 0.30 -0.85 -0.08 0.00 -1.02 0.00 0.00 32.46 30.80 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 2.74 -1.19 -1.55 0.52 -0.69 -5.04 118.94 111.63 3f9k s TRP 108 Ca -0.06 -0.18 -0.20 0.00 0.02 0.00 0.00 56.10 55.68 3f9k s TRP 108 Cb 0.02 -1.33 0.03 0.00 -1.15 0.00 0.00 33.47 31.04 3f9k s TRP 108 CO 0.09 0.52 1.73 -2.14 0.02 0.00 0.00 176.95 177.17 3f9k s PRO 109 N -2.89 3.52 -0.08 4.98 0.02 -1.26 -4.57 135.00 134.72 3f9k s PRO 109 Ca 0.26 -1.54 -0.27 0.00 0.02 0.00 0.00 61.00 59.47 3f9k s PRO 109 Cb -0.09 -5.41 -0.02 0.00 0.02 0.00 0.00 34.50 28.99 3f9k s PRO 109 CO 0.17 -2.67 0.89 0.42 -0.33 0.00 0.00 177.00 175.48 3f9k s ILE 110 N 6.12 4.90 -0.13 2.83 1.01 -1.26 -4.51 121.20 130.16 3f9k s ILE 110 Ca 0.56 1.81 0.03 0.00 0.00 0.00 0.00 60.65 63.06 3f9k s ILE 110 Cb 0.02 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 3f9k s ILE 110 CO 0.05 0.12 -0.09 0.41 0.00 0.00 0.00 174.94 175.43 3f9k n THR 111 N 4.20 0.79 -3.72 2.92 -1.04 0.07 -4.75 114.28 112.75 3f9k n THR 111 Ca 0.05 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 61.57 3f9k n THR 111 Cb 0.50 -0.93 -0.15 0.00 -1.82 0.00 0.00 70.33 67.94 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 -2.27 -0.20 -0.11 -1.42 5.65 -0.41 -0.74 115.29 115.79 3f9k s HIS 112 Ca -0.16 0.58 -0.00 0.00 0.25 0.00 0.00 55.06 55.73 3f9k s HIS 112 Cb 0.04 -0.12 -0.02 0.00 -1.18 0.00 0.00 32.58 31.30 3f9k s HIS 112 CO 0.35 -0.21 -0.10 -1.17 -0.65 0.00 0.00 174.74 172.96 3f9k s LEU 113 N 1.59 2.95 -0.09 8.88 0.20 0.10 -0.89 118.68 131.41 3f9k s LEU 113 Ca -0.05 -0.20 0.02 0.00 0.69 0.00 0.00 54.13 54.60 3f9k s LEU 113 Cb -0.12 -1.66 0.01 0.00 -0.43 0.00 0.00 46.19 43.99 3f9k s LEU 113 CO -0.06 0.23 -0.16 -2.28 -0.29 0.00 0.00 176.35 173.79 3f9k s HIS 114 N -0.02 1.89 0.21 5.38 5.65 -0.11 -1.08 115.29 127.21 3f9k s HIS 114 Ca -0.02 -0.80 -0.01 0.00 0.25 0.00 0.00 55.06 54.48 3f9k s HIS 114 Cb -0.14 -1.34 -0.04 0.00 -1.18 0.00 0.00 32.58 29.88 3f9k s HIS 114 CO 0.03 -0.39 0.15 0.95 -0.65 0.00 0.00 174.74 174.84 3f9k s THR 115 N 0.75 0.00 0.36 0.89 -4.23 -0.91 -2.51 115.64 110.00 3f9k s THR 115 Ca -0.12 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.36 3f9k s THR 115 Cb -0.16 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.29 3f9k s THR 115 CO 0.02 0.00 0.33 -0.90 -0.54 0.00 0.00 174.62 173.54 3f9k n ASP 116 N -0.32 -1.24 -1.17 3.99 5.68 -1.26 -1.40 116.55 120.82 3f9k n ASP 116 Ca 0.02 -0.73 0.07 0.00 -0.50 0.00 0.00 54.79 53.65 3f9k n ASP 116 Cb 0.66 -0.30 0.25 0.00 -1.14 0.00 0.00 41.12 40.58 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 3.41 -4.46 -1.12 4.13 -1.26 -4.59 115.26 107.83 3f9k n ASN 117 Ca 0.05 -2.29 -0.52 0.00 1.68 0.00 0.00 54.58 53.49 3f9k n ASN 117 Cb 0.18 -0.47 -0.05 0.00 -1.54 0.00 0.00 39.78 37.89 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 0.90 -0.95 0.35 7.41 0.00 -1.26 -4.65 105.19 106.98 3f9k n GLY 118 Ca 0.18 0.52 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 2.05 1.83 -0.79 4.61 0.00 -1.94 0.53 119.26 125.55 3f9k h ALA 119 Ca -0.39 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 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 0.41 -2.95 0.00 0.00 0.00 179.25 177.02 3f9k h ASN 120 N 0.56 1.01 0.82 0.00 -1.07 -1.87 -1.65 115.58 113.39 3f9k h ASN 120 Ca 0.65 -0.12 -0.15 0.00 0.07 0.00 0.00 56.30 56.75 3f9k h ASN 120 Cb 1.26 -0.26 -0.02 0.00 -2.07 0.00 0.00 38.32 37.23 3f9k h ASN 120 CO -0.47 0.84 -0.72 -0.26 0.07 0.00 0.00 177.43 176.89 3f9k h PHE 121 N 1.11 0.00 -0.60 4.14 0.04 -1.24 -2.70 116.94 117.69 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 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3f9k h PHE 121 CO 0.01 0.72 0.00 0.25 -0.60 0.00 0.00 178.31 178.68 3f9k n THR 122 N -3.59 1.46 -1.19 -1.55 -2.24 -0.86 -4.79 114.28 101.52 3f9k n THR 122 Ca -0.00 -1.01 -0.30 0.00 -2.27 0.00 0.00 64.05 60.47 3f9k n THR 122 Cb 0.72 0.16 0.14 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.88 3.44 0.13 3.42 1.04 -0.63 -4.91 113.70 115.32 3f9k s SER 123 Ca 0.46 1.50 -0.07 0.00 0.48 0.00 0.00 55.95 58.32 3f9k s SER 123 Cb 0.28 -2.18 -0.07 0.00 0.10 0.00 0.00 66.02 64.15 3f9k s SER 123 CO 0.24 -2.66 1.34 -0.61 0.98 0.00 0.00 173.24 172.53 3f9k h GLN 124 N -1.57 0.57 -0.25 4.02 5.75 -1.88 -2.61 115.11 119.16 3f9k h GLN 124 Ca -0.49 -0.50 -0.13 0.00 -0.15 0.00 0.00 58.65 57.37 3f9k h GLN 124 Cb 1.28 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 3f9k h GLN 124 CO 0.54 1.13 -0.39 1.49 -2.65 0.00 0.00 178.83 178.95 3f9k h GLU 125 N 0.37 0.57 -0.49 1.69 4.81 -1.93 -2.50 114.58 117.11 3f9k h GLU 125 Ca -0.06 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3f9k h GLU 125 Cb 1.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 3f9k h GLU 125 CO 0.15 0.86 0.00 0.28 -0.73 0.00 0.00 179.01 179.58 3f9k h VAL 126 N 0.47 1.26 -0.90 0.32 2.07 -1.77 -2.66 116.25 115.05 3f9k h VAL 126 Ca 0.04 -1.06 0.10 0.00 0.82 0.00 0.00 66.70 66.60 3f9k h VAL 126 Cb 0.88 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 3f9k h VAL 126 CO 0.08 0.37 0.58 0.50 0.02 0.00 0.00 177.57 179.12 3f9k h LYS 127 N 0.72 0.88 -0.04 1.57 3.64 -1.24 -0.37 116.57 121.72 3f9k h LYS 127 Ca 0.14 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3f9k h LYS 127 Cb 0.51 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3f9k h LYS 127 CO 0.02 0.58 -0.03 0.52 -2.27 0.00 0.00 179.45 178.27 3f9k h MET 128 N 0.91 0.10 -0.39 1.90 2.86 -1.31 -0.95 114.93 118.04 3f9k h MET 128 Ca 0.42 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 58.07 3f9k h MET 128 Cb 0.39 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 3f9k h MET 128 CO -0.18 0.53 0.08 0.28 1.06 0.00 0.00 176.91 178.68 3f9k h VAL 129 N -0.33 0.81 -0.68 -2.22 2.07 -1.17 0.26 116.25 114.99 3f9k h VAL 129 Ca 0.01 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3f9k h VAL 129 Cb 0.50 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3f9k h VAL 129 CO 0.01 0.04 0.37 0.00 0.02 0.00 0.00 177.57 178.01 3f9k h ALA 130 N 1.29 0.91 -0.44 1.67 0.00 -1.05 -1.03 119.26 120.62 3f9k h ALA 130 Ca 0.19 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3f9k h ALA 130 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3f9k h ALA 130 CO -0.24 0.03 0.06 2.35 0.00 0.00 0.00 179.25 181.44 3f9k h TRP 131 N 0.67 0.78 -0.30 0.00 7.01 -0.19 0.58 115.95 124.49 3f9k h TRP 131 Ca 0.31 -0.11 -0.08 0.00 2.11 0.00 0.00 58.89 61.12 3f9k h TRP 131 Cb 0.23 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 3f9k h TRP 131 CO -0.08 0.75 -0.11 2.35 -2.79 0.00 0.00 178.44 178.56 3f9k h TRP 132 N 0.59 0.69 -0.09 2.65 7.01 -0.05 -2.92 115.95 123.83 3f9k h TRP 132 Ca 0.13 -0.16 -0.18 0.00 2.11 0.00 0.00 58.89 60.79 3f9k h TRP 132 Cb 0.40 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 3f9k h TRP 132 CO 0.03 0.82 -0.71 0.82 -2.79 0.00 0.00 178.44 176.60 3f9k h ILE 133 N 0.37 1.37 -0.68 2.65 1.08 -1.25 -3.48 117.51 117.57 3f9k h ILE 133 Ca 0.07 -2.11 0.00 0.00 -0.39 0.00 0.00 64.86 62.43 3f9k h ILE 133 Cb 0.61 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.45 3f9k h ILE 133 CO 0.04 0.64 0.00 0.61 -0.69 0.00 0.00 178.15 178.74 3f9k n GLY 134 N 0.53 0.70 3.33 5.37 0.00 0.24 -5.10 105.19 110.26 3f9k n GLY 134 Ca -0.04 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.91 2.67 0.12 -0.61 1.01 0.18 -4.79 121.20 117.86 3f9k s ILE 135 Ca 0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 3f9k s ILE 135 Cb 0.00 -2.07 -0.07 0.00 0.01 0.00 0.00 42.46 40.33 3f9k s ILE 135 CO 0.00 0.55 0.69 -0.70 0.00 0.00 0.00 174.94 175.48 3f9k s GLU 136 N 0.15 4.42 0.01 2.79 2.12 0.08 -4.51 118.70 123.77 3f9k s GLU 136 Ca -0.09 0.98 0.04 0.00 0.36 0.00 0.00 54.97 56.26 3f9k s GLU 136 Cb -0.16 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 3f9k s GLU 136 CO 0.06 0.57 -0.07 -0.65 -0.54 0.00 0.00 175.26 174.63 3f9k s GLN 137 N -1.01 2.52 0.05 4.30 -0.21 -1.26 0.03 119.66 124.08 3f9k s GLN 137 Ca 0.33 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.98 3f9k s GLN 137 Cb -0.21 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 3f9k s GLN 137 CO 0.23 0.59 -0.06 -1.54 -2.12 0.00 0.00 175.29 172.39 3f9k s SER 138 N -1.51 0.79 0.04 5.90 1.04 -0.24 -4.95 113.70 114.77 3f9k s SER 138 Ca 0.18 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.93 3f9k s SER 138 Cb -0.11 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 3f9k s SER 138 CO 0.08 -0.33 -0.10 -0.36 0.98 0.00 0.00 173.24 173.52 3f9k s PHE 139 N -2.24 0.85 0.00 5.02 0.40 -1.26 -2.14 117.98 118.61 3f9k s PHE 139 Ca -0.04 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 3f9k s PHE 139 Cb -0.04 -0.50 0.00 0.00 0.51 0.00 0.00 43.02 42.98 3f9k s PHE 139 CO -0.02 -0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.28 3f9k n GLY 140 N 1.76 1.67 3.68 4.36 0.00 -0.49 -4.79 105.19 111.38 3f9k n GLY 140 Ca -0.20 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 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 0.60 1.61 1.01 -1.26 -4.77 120.40 122.75 3f9k s VAL 141 Ca 0.00 0.87 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 3f9k s VAL 141 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3f9k s VAL 141 CO 0.00 0.24 1.19 -2.84 0.00 0.00 0.00 175.10 173.68 3f9k s PRO 142 N 1.29 2.95 0.46 2.72 0.02 -1.26 -4.91 135.00 136.27 3f9k s PRO 142 Ca 0.23 1.76 0.13 0.00 0.02 0.00 0.00 61.00 63.13 3f9k s PRO 142 Cb -0.15 -1.93 1.06 0.00 0.02 0.00 0.00 34.50 33.50 3f9k s PRO 142 CO 0.09 -1.21 2.06 -0.92 -0.33 0.00 0.00 177.00 176.70 3f9k h TYR 143 N 0.77 0.13 -3.57 6.54 3.20 -1.97 -3.38 116.97 118.70 3f9k h TYR 143 Ca -0.50 -0.00 -0.63 0.00 3.14 0.00 0.00 58.73 60.73 3f9k h TYR 143 Cb 1.29 -0.04 -0.14 0.00 1.54 0.00 0.00 36.73 39.38 3f9k h TYR 143 CO 0.48 0.16 0.12 1.21 -1.64 0.00 0.00 178.16 178.48 3f9k s ASN 144 N -6.96 6.41 0.09 -2.11 2.47 -1.26 -5.00 114.94 108.57 3f9k s ASN 144 Ca -0.05 0.10 -0.35 0.00 0.42 0.00 0.00 52.86 52.97 3f9k s ASN 144 Cb 0.17 -2.32 -0.16 0.00 -1.45 0.00 0.00 41.25 37.48 3f9k s ASN 144 CO 0.70 -0.59 1.57 -0.65 -3.72 0.00 0.00 177.10 174.41 3f9k h PRO 145 N 8.49 -0.93 -7.22 0.43 0.11 -2.00 -3.34 132.00 127.55 3f9k h PRO 145 Ca -0.26 0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.38 3f9k h PRO 145 Cb 1.11 0.21 0.18 0.00 0.11 0.00 0.00 31.00 32.61 3f9k h PRO 145 CO 0.83 -0.62 0.33 1.14 -0.21 0.00 0.00 178.00 179.47 3f9k s GLN 146 N -5.90 1.60 0.00 1.05 -2.07 -1.26 -2.15 119.66 110.94 3f9k s GLN 146 Ca -0.18 1.70 0.00 0.00 -1.82 0.00 0.00 55.36 55.06 3f9k s GLN 146 Cb 0.05 -1.78 0.00 0.00 -1.09 0.00 0.00 33.01 30.19 3f9k s GLN 146 CO 0.61 -2.23 0.00 0.45 -1.32 0.00 0.00 175.29 172.80 3f9k n SER 147 N -3.40 0.00 -4.63 12.60 2.88 -1.26 -5.01 113.62 114.79 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 -0.20 4.11 0.00 -1.46 2.00 -0.91 -4.09 119.66 119.10 3f9k s GLN 148 Ca 0.00 0.42 0.00 0.00 -2.00 0.00 0.00 55.36 53.78 3f9k s GLN 148 Cb 0.00 -3.63 0.00 0.00 0.80 0.00 0.00 33.01 30.18 3f9k s GLN 148 CO 0.00 -0.33 0.00 0.41 -0.50 0.00 0.00 175.29 174.87 3f9k n GLY 149 N 4.21 0.66 0.08 2.59 0.00 -1.26 -5.00 105.19 106.47 3f9k n GLY 149 Ca -0.03 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 1.28 -0.57 1.61 2.07 -2.00 -1.98 116.25 116.66 3f9k h VAL 150 Ca 0.00 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.41 3f9k h VAL 150 Cb 0.00 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 3f9k h VAL 150 CO 0.00 0.29 0.27 0.58 0.02 0.00 0.00 177.57 178.73 3f9k h VAL 151 N -0.60 0.90 -0.47 2.57 2.07 -1.91 0.78 116.25 119.58 3f9k h VAL 151 Ca -0.01 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3f9k h VAL 151 Cb 0.53 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3f9k h VAL 151 CO 0.01 0.09 0.29 -0.33 0.02 0.00 0.00 177.57 177.66 3f9k h GLU 152 N 0.51 0.57 -0.07 1.57 3.07 -1.97 0.40 114.58 118.66 3f9k h GLU 152 Ca 0.27 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.10 3f9k h GLU 152 Cb 0.23 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3f9k h GLU 152 CO -0.21 0.38 0.02 0.00 -1.40 0.00 0.00 179.01 177.80 3f9k h ALA 153 N 1.20 0.07 -0.80 3.43 0.00 -0.81 -2.63 119.26 119.72 3f9k h ALA 153 Ca 0.19 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.22 3f9k h ALA 153 Cb -0.01 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3f9k h ALA 153 CO -0.07 -0.45 0.42 0.52 0.00 0.00 0.00 179.25 179.67 3f9k h MET 154 N 0.05 0.65 -0.85 0.00 2.86 -0.10 -1.20 114.93 116.33 3f9k h MET 154 Ca 0.03 -0.04 0.21 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 31.41 3f9k h MET 154 CO -0.03 0.43 0.30 -0.91 1.06 0.00 0.00 176.91 177.76 3f9k h ASN 155 N 0.67 0.17 -0.07 1.22 2.35 0.16 0.23 115.58 120.32 3f9k h ASN 155 Ca 0.41 0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 56.29 3f9k h ASN 155 Cb 0.48 0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3f9k h ASN 155 CO -0.30 -0.04 -0.10 0.45 -1.65 0.00 0.00 177.43 175.79 3f9k h HIS 156 N 0.33 0.23 -0.72 1.19 3.86 -1.13 -2.07 115.15 116.83 3f9k h HIS 156 Ca 0.52 -0.08 0.09 0.00 -1.16 0.00 0.00 60.37 59.74 3f9k h HIS 156 Cb 0.98 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.33 3f9k h HIS 156 CO -0.20 0.67 0.37 0.45 0.86 0.00 0.00 177.93 180.09 3f9k h HIS 157 N -0.29 0.67 -0.40 2.45 3.86 -0.81 0.36 115.15 121.00 3f9k h HIS 157 Ca 0.01 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 3f9k h HIS 157 Cb 0.65 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.89 3f9k h HIS 157 CO 0.11 0.26 0.16 1.25 0.86 0.00 0.00 177.93 180.56 3f9k h LEU 158 N 0.64 0.18 -0.57 2.43 5.85 -0.55 -0.75 115.31 122.54 3f9k h LEU 158 Ca 0.35 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 59.05 3f9k h LEU 158 Cb 0.35 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3f9k h LEU 158 CO -0.26 0.14 0.13 0.11 -0.34 0.00 0.00 178.44 178.23 3f9k h LYS 159 N 0.33 0.92 -0.99 1.25 1.57 -0.42 0.14 116.57 119.36 3f9k h LYS 159 Ca 0.18 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3f9k h LYS 159 Cb 0.15 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 3f9k h LYS 159 CO -0.17 0.86 0.65 -0.91 -0.57 0.00 0.00 179.45 179.30 3f9k h ASN 160 N 0.82 1.07 -0.28 0.86 2.35 -0.06 0.78 115.58 121.11 3f9k h ASN 160 Ca 0.18 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 3f9k h ASN 160 Cb 0.36 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3f9k h ASN 160 CO 0.00 0.72 -0.06 -0.61 -1.65 0.00 0.00 177.43 175.83 3f9k h GLN 161 N 1.23 0.54 -0.98 0.81 5.75 -0.74 -2.33 115.11 119.39 3f9k h GLN 161 Ca 0.40 -0.20 0.14 0.00 -0.15 0.00 0.00 58.65 58.84 3f9k h GLN 161 Cb 0.05 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.47 3f9k h GLN 161 CO -0.14 0.74 0.60 0.82 -2.65 0.00 0.00 178.83 178.20 3f9k h ILE 162 N 0.31 0.84 -0.17 2.39 1.08 -0.46 -2.25 117.51 119.24 3f9k h ILE 162 Ca 0.07 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3f9k h ILE 162 Cb 0.53 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 3f9k h ILE 162 CO 0.03 0.16 0.10 -1.28 -0.69 0.00 0.00 178.15 176.47 3f9k h SER 163 N 0.88 0.17 0.41 1.72 0.87 -0.47 -0.85 113.55 116.28 3f9k h SER 163 Ca 0.52 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.06 3f9k h SER 163 Cb 0.62 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3f9k h SER 163 CO -0.31 0.13 -0.06 0.03 -0.53 0.00 0.00 176.83 176.09 3f9k h ARG 164 N 0.21 0.00 0.00 2.24 3.08 -0.88 -3.00 114.38 116.03 3f9k h ARG 164 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3f9k h ARG 164 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3f9k h ARG 164 CO -0.03 0.06 -0.00 0.44 -1.07 0.00 0.00 179.97 179.37 3f9k n ILE 165 N -3.39 1.00 -0.31 2.04 -5.35 -1.10 -4.83 119.36 107.42 3f9k n ILE 165 Ca -0.02 -1.02 0.14 0.00 -0.27 0.00 0.00 62.75 61.58 3f9k n ILE 165 Cb 0.21 0.48 0.32 0.00 -1.74 0.00 0.00 39.64 38.91 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 0.40 0.00 6.28 9.65 -1.01 -0.56 114.38 129.14 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 0.54 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 3f9k h ARG 166 CO 0.00 0.27 0.00 0.39 2.80 0.00 0.00 179.97 183.43 3f9k n GLU 167 N -5.03 0.79 0.00 0.20 4.71 -1.26 -3.36 120.64 116.68 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 0.68 -1.50 0.33 0.00 -1.01 0.00 0.00 31.44 29.95 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 -1.00 0.47 -3.50 3.49 6.02 -0.22 -4.90 117.38 117.74 3f9k n GLN 168 Ca 0.19 -0.27 -0.16 0.00 -0.01 0.00 0.00 57.00 56.75 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 -2.72 -1.70 -0.02 -1.58 0.00 -1.21 -5.09 121.76 109.45 3f9k s ALA 169 Ca 0.19 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 3f9k s ALA 169 Cb 0.19 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3f9k s ALA 169 CO 0.59 -0.47 0.17 -0.91 0.00 0.00 0.00 175.76 175.15 3f9k h ASN 170 N 2.76 -0.04 -4.11 0.00 2.35 -1.90 -3.47 115.58 111.17 3f9k h ASN 170 Ca -0.29 0.00 -0.55 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 39.71 3f9k h ASN 170 CO 0.39 0.06 0.49 0.42 -1.65 0.00 0.00 177.43 177.14 3f9k s THR 171 N -1.49 2.26 0.14 2.81 -4.23 -1.26 -4.94 115.64 108.93 3f9k s THR 171 Ca -0.01 0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.63 3f9k s THR 171 Cb 0.00 -3.02 -0.18 0.00 1.34 0.00 0.00 72.50 70.64 3f9k s THR 171 CO 0.02 -0.04 1.32 0.40 -0.54 0.00 0.00 174.62 175.78 3f9k h ILE 172 N 0.56 1.42 -0.75 2.99 2.04 -1.98 -2.67 117.51 119.13 3f9k h ILE 172 Ca -0.50 -2.49 0.17 0.00 1.00 0.00 0.00 64.86 63.04 3f9k h ILE 172 Cb 1.32 2.43 -0.13 0.00 -0.74 0.00 0.00 36.82 39.70 3f9k h ILE 172 CO 0.53 0.74 0.02 -0.33 0.00 0.00 0.00 178.15 179.11 3f9k h GLU 173 N 0.20 0.11 0.01 2.37 3.07 -1.97 -0.89 114.58 117.48 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 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 3f9k h GLU 173 CO 0.16 0.07 -0.01 1.15 -1.40 0.00 0.00 179.01 178.98 3f9k h THR 174 N 0.11 1.44 -0.32 1.13 2.02 -1.95 -3.29 112.91 112.06 3f9k h THR 174 Ca 0.41 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 3f9k h THR 174 Cb 0.72 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.50 3f9k h THR 174 CO -0.65 0.36 0.14 -0.29 0.37 0.00 0.00 175.52 175.45 3f9k h ILE 175 N -0.63 1.12 0.52 3.11 6.09 -1.06 -2.29 117.51 124.38 3f9k h ILE 175 Ca -0.00 -0.35 -0.03 0.00 -1.37 0.00 0.00 64.86 63.11 3f9k h ILE 175 Cb 0.60 0.73 0.00 0.00 0.47 0.00 0.00 36.82 38.63 3f9k h ILE 175 CO 0.00 0.14 -0.25 0.58 -3.07 0.00 0.00 178.15 175.55 3f9k h VAL 176 N 0.44 0.48 -0.85 2.19 2.07 -1.28 -1.00 116.25 118.30 3f9k h VAL 176 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 3f9k h VAL 176 Cb 0.07 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 3f9k h VAL 176 CO -0.01 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.06 3f9k h LEU 177 N -0.71 0.80 -0.51 2.57 3.38 -1.52 0.10 115.31 119.43 3f9k h LEU 177 Ca -0.07 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3f9k h LEU 177 Cb 0.54 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3f9k h LEU 177 CO 0.11 0.50 -0.02 0.24 0.09 0.00 0.00 178.44 179.37 3f9k h MET 178 N 0.91 0.92 -0.64 1.13 2.86 -1.28 -2.34 114.93 116.48 3f9k h MET 178 Ca 0.38 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3f9k h MET 178 Cb 0.28 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3f9k h MET 178 CO -0.14 0.96 0.28 0.00 1.06 0.00 0.00 176.91 179.06 3f9k h ALA 179 N 0.93 0.83 -0.39 6.32 0.00 0.18 -2.38 119.26 124.75 3f9k h ALA 179 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3f9k h ALA 179 Cb 0.56 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3f9k h ALA 179 CO 0.03 0.43 0.20 0.28 0.00 0.00 0.00 179.25 180.19 3f9k h VAL 180 N 0.90 0.98 -0.56 0.00 2.07 -0.93 -1.44 116.25 117.27 3f9k h VAL 180 Ca 0.22 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.70 3f9k h VAL 180 Cb 0.18 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 3f9k h VAL 180 CO -0.02 0.07 0.12 -0.74 0.02 0.00 0.00 177.57 177.03 3f9k h HIS 181 N 0.40 0.20 -0.52 1.57 6.17 -1.13 -0.97 115.15 120.88 3f9k h HIS 181 Ca 0.17 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.29 3f9k h HIS 181 Cb 0.07 -0.00 -0.03 0.00 2.52 0.00 0.00 27.41 29.97 3f9k h HIS 181 CO -0.10 -0.01 0.33 0.00 0.71 0.00 0.00 177.93 178.86 3f9k h MET 183 N 0.67 0.39 0.00 0.00 2.86 -0.53 0.14 114.93 118.46 3f9k h MET 183 Ca 0.20 -0.21 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 3f9k h MET 183 Cb -0.05 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 3f9k h MET 183 CO -0.06 0.77 -1.13 -0.91 1.06 0.00 0.00 176.91 176.65 3f9k h ASN 184 N 0.32 0.00 0.00 1.22 2.35 -1.08 -3.38 115.58 115.00 3f9k h ASN 184 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3f9k h ASN 184 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3f9k h ASN 184 CO 0.08 0.87 -0.91 0.49 -1.65 0.00 0.00 177.43 176.31 3f9k n PHE 185 N -3.21 0.00 0.21 1.19 3.72 -0.63 -2.01 117.46 116.74 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 0.92 -0.03 -0.02 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 4.27 -3.23 -1.08 4.76 0.48 -4.91 118.16 116.97 3f9k n LYS 186 Ca -0.00 -0.17 -0.39 0.00 -2.87 0.00 0.00 58.31 54.88 3f9k n LYS 186 Cb 0.04 -0.80 -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 -1.21 4.32 -0.02 1.97 0.52 -1.17 -2.98 118.95 120.37 3f9k s ARG 187 Ca 0.03 0.54 0.04 0.00 -0.52 0.00 0.00 55.73 55.82 3f9k s ARG 187 Cb 0.04 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 3f9k s ARG 187 CO 0.16 0.05 -0.15 0.50 0.02 0.00 0.00 175.30 175.88 3f9k s ARG 188 N 0.94 1.40 0.00 3.54 3.52 -1.26 -4.07 118.95 123.02 3f9k s ARG 188 Ca 0.28 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 3f9k s ARG 188 Cb -0.16 -1.29 0.00 0.00 -1.56 0.00 0.00 34.95 31.94 3f9k s ARG 188 CO 0.12 0.27 0.00 0.41 -0.81 0.00 0.00 175.30 175.29 3f9k n GLY 189 N 2.93 -0.60 7.00 8.12 0.00 -1.10 -4.56 105.19 116.98 3f9k n GLY 189 Ca -0.16 -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 -0.84 0.17 -0.02 0.00 -1.26 -1.34 105.19 101.89 3f9k n GLY 190 Ca 0.00 -1.17 -0.14 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 0.78 -0.83 -0.61 6.09 -2.02 -3.12 117.51 117.80 3f9k h ILE 191 Ca 0.00 -0.16 -0.31 0.00 -1.37 0.00 0.00 64.86 63.02 3f9k h ILE 191 Cb 0.00 0.87 -0.18 0.00 0.47 0.00 0.00 36.82 37.98 3f9k h ILE 191 CO 0.00 0.04 0.39 0.61 -3.07 0.00 0.00 178.15 176.12 3f9k n GLY 192 N -1.01 3.91 4.14 8.18 0.00 -1.26 -4.93 105.19 114.21 3f9k n GLY 192 Ca -0.10 -1.03 -0.44 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 -0.44 -3.09 -4.40 1.61 8.00 -1.17 -4.97 116.55 112.08 3f9k n ASP 193 Ca 0.47 -1.31 -0.20 0.00 0.71 0.00 0.00 54.79 54.46 3f9k n ASP 193 Cb 1.49 -1.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.91 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 -7.49 1.49 0.55 -1.24 0.23 -0.45 -4.55 119.30 107.84 3f9k s MET 194 Ca 0.40 -1.74 -0.12 0.00 -1.03 0.00 0.00 55.69 53.19 3f9k s MET 194 Cb -0.22 -1.06 -0.06 0.00 -1.53 0.00 0.00 34.83 31.96 3f9k s MET 194 CO 0.98 0.03 0.96 0.95 -2.03 0.00 0.00 175.02 175.92 3f9k s THR 195 N -3.07 4.68 0.24 3.16 -4.23 -1.26 -2.70 115.64 112.46 3f9k s THR 195 Ca 0.28 0.90 -0.05 0.00 -1.18 0.00 0.00 61.69 61.65 3f9k s THR 195 Cb 0.04 -3.80 0.21 0.00 1.34 0.00 0.00 72.50 70.28 3f9k s THR 195 CO 0.11 -0.89 1.74 -0.65 -0.54 0.00 0.00 174.62 174.39 3f9k h PRO 196 N 0.34 0.47 -0.16 3.99 0.11 -1.74 0.09 132.00 135.10 3f9k h PRO 196 Ca -0.46 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.67 3f9k h PRO 196 Cb 1.19 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3f9k h PRO 196 CO 0.62 0.31 -0.15 1.03 -0.21 0.00 0.00 178.00 179.60 3f9k h SER 197 N 0.49 -0.48 -0.50 -2.05 0.87 -1.74 0.69 113.55 110.83 3f9k h SER 197 Ca 0.40 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 61.09 3f9k h SER 197 Cb 0.56 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.71 3f9k h SER 197 CO -0.37 -0.20 0.25 -0.33 -0.53 0.00 0.00 176.83 175.66 3f9k h GLU 198 N -0.18 0.48 -0.52 2.24 5.08 -1.59 -0.90 114.58 119.19 3f9k h GLU 198 Ca 0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3f9k h GLU 198 Cb 0.33 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3f9k h GLU 198 CO -0.26 0.32 0.29 -0.09 -1.00 0.00 0.00 179.01 178.26 3f9k h ARG 199 N 0.50 0.72 0.16 2.33 2.43 -0.42 0.95 114.38 121.05 3f9k h ARG 199 Ca 0.22 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3f9k h ARG 199 Cb 0.12 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3f9k h ARG 199 CO -0.15 0.56 -0.08 1.25 -1.51 0.00 0.00 179.97 180.04 3f9k h LEU 200 N 0.69 -0.18 -0.81 3.80 5.85 -0.60 -1.49 115.31 122.58 3f9k h LEU 200 Ca 0.18 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.83 3f9k h LEU 200 Cb 0.04 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 3f9k h LEU 200 CO -0.03 0.06 0.46 0.40 -0.34 0.00 0.00 178.44 178.99 3f9k h ILE 201 N -0.43 0.92 -0.40 4.05 5.03 -1.05 -1.53 117.51 124.11 3f9k h ILE 201 Ca -0.02 -0.27 -0.08 0.00 -0.12 0.00 0.00 64.86 64.37 3f9k h ILE 201 Cb 0.33 0.07 -0.02 0.00 -3.03 0.00 0.00 36.82 34.18 3f9k h ILE 201 CO 0.04 0.14 -0.10 -1.13 -0.68 0.00 0.00 178.15 176.41 3f9k h ASN 202 N 0.78 0.68 -0.43 1.72 -1.24 -0.69 -2.30 115.58 114.09 3f9k h ASN 202 Ca 0.38 -0.19 -0.11 0.00 0.71 0.00 0.00 56.30 57.10 3f9k h ASN 202 Cb 0.34 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 3f9k h ASN 202 CO -0.24 0.81 -0.16 0.24 -1.29 0.00 0.00 177.43 176.80 3f9k h MET 203 N 0.63 0.86 -0.93 6.67 2.86 -0.60 -2.76 114.93 121.66 3f9k h MET 203 Ca 0.11 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3f9k h MET 203 Cb 0.55 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 3f9k h MET 203 CO 0.03 0.99 0.54 0.82 1.06 0.00 0.00 176.91 180.36 3f9k h ILE 204 N 0.68 1.26 -0.38 -1.22 2.04 -1.06 -2.92 117.51 115.91 3f9k h ILE 204 Ca 0.10 -0.59 -0.13 0.00 1.00 0.00 0.00 64.86 65.24 3f9k h ILE 204 Cb 0.71 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3f9k h ILE 204 CO 0.05 0.28 -0.29 0.74 0.00 0.00 0.00 178.15 178.93 3f9k h THR 205 N 1.28 1.28 -0.03 -0.27 2.02 -1.34 -3.52 112.91 112.33 3f9k h THR 205 Ca 0.33 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 66.07 3f9k h THR 205 Cb -0.03 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3f9k h THR 205 CO -0.06 0.48 0.00 0.35 0.37 0.00 0.00 175.52 176.66