#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 -1.86 7.52 -0.00 -2.04 -2.74 115.31 116.19 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 -1.88 114.58 115.22 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 -3.39 0.40 0.16 2.33 5.02 -1.03 -4.58 118.16 117.07 3f9k n LYS 4 Ca 0.05 -0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 3f9k n LYS 4 Cb 0.62 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.67 -0.44 -0.18 5.03 -1.48 -2.51 117.51 118.61 3f9k h ILE 5 Ca 0.00 -0.56 0.07 0.00 -0.12 0.00 0.00 64.86 64.25 3f9k h ILE 5 Cb 0.81 0.95 -0.09 0.00 -3.03 0.00 0.00 36.82 35.45 3f9k h ILE 5 CO 0.00 0.11 -0.44 -0.33 -0.68 0.00 0.00 178.15 176.81 3f9k h GLU 6 N -0.76 -0.30 -0.72 2.37 4.39 -1.81 -2.02 114.58 115.74 3f9k h GLU 6 Ca -0.04 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3f9k h GLU 6 Cb 0.50 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 0.29 -1.35 -1.16 0.00 0.00 179.01 176.66 3f9k h PRO 7 N -0.31 1.06 -0.50 2.33 0.11 -1.82 -1.90 132.00 130.98 3f9k h PRO 7 Ca 0.14 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 3f9k h PRO 7 Cb 0.58 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3f9k h PRO 7 CO -0.60 0.87 0.17 0.00 -0.21 0.00 0.00 178.00 178.23 3f9k h ALA 8 N 1.27 0.65 0.00 -0.75 0.00 -0.93 0.16 119.26 119.66 3f9k h ALA 8 Ca 0.24 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3f9k h ALA 8 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3f9k h ALA 8 CO -0.02 0.29 -0.83 -0.56 0.00 0.00 0.00 179.25 178.13 3f9k h GLN 9 N 0.67 0.00 -0.33 0.00 3.07 -1.33 -2.04 115.11 115.14 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 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.78 3f9k h GLN 9 CO -0.01 0.83 0.18 1.49 0.09 0.00 0.00 178.83 181.41 3f9k h GLU 10 N 0.00 0.36 -0.79 0.06 4.57 -1.16 -0.80 114.58 116.82 3f9k h GLU 10 Ca -0.01 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3f9k h GLU 10 Cb 1.56 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 30.02 3f9k h GLU 10 CO 0.11 0.24 0.50 1.49 -1.18 0.00 0.00 179.01 180.17 3f9k h GLU 11 N 0.37 0.95 -0.23 1.92 4.57 -0.51 -2.41 114.58 119.24 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 0.03 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3f9k h GLU 11 CO -0.08 0.63 -0.53 1.25 -1.18 0.00 0.00 179.01 179.10 3f9k h HIS 12 N 0.98 0.97 -0.45 0.92 2.76 -1.17 -1.74 115.15 117.41 3f9k h HIS 12 Ca 0.32 -0.37 0.09 0.00 -2.20 0.00 0.00 60.37 58.21 3f9k h HIS 12 Cb 0.03 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 3f9k h HIS 12 CO -0.03 1.17 0.31 0.93 -1.30 0.00 0.00 177.93 179.01 3f9k h GLU 13 N 0.49 0.22 0.02 5.26 5.08 -0.95 0.71 114.58 125.42 3f9k h GLU 13 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3f9k h GLU 13 Cb 1.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3f9k h GLU 13 CO 0.12 0.15 -0.12 -0.22 -1.00 0.00 0.00 179.01 177.93 3f9k h LYS 14 N 0.23 0.04 0.00 2.33 3.64 -1.22 -3.41 116.57 118.18 3f9k h LYS 14 Ca 0.21 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3f9k h LYS 14 Cb 0.53 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3f9k h LYS 14 CO -0.04 1.03 -0.85 0.66 -2.27 0.00 0.00 179.45 177.98 3f9k n TYR 15 N -4.54 0.00 -3.06 1.91 4.01 -0.67 -5.02 117.16 109.79 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 0.53 -0.03 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 -1.44 -1.78 -1.60 -0.72 8.25 0.25 -4.92 115.22 113.25 3f9k n HIS 16 Ca -0.00 0.57 -0.48 0.00 -0.26 0.00 0.00 57.72 57.55 3f9k n HIS 16 Cb 0.04 -3.76 -0.04 0.00 1.12 0.00 0.00 29.99 27.35 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 -1.58 1.60 -3.69 0.41 7.64 -1.26 -4.97 113.62 111.77 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 -1.26 0.24 0.00 -1.01 0.00 0.00 64.21 62.75 3f9k n SER 17 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3f9k n ASN 18 N 2.03 -1.43 0.39 6.43 0.23 -1.15 -4.74 115.26 117.02 3f9k n ASN 18 Ca 0.14 -1.28 -0.18 0.00 -0.53 0.00 0.00 54.58 52.73 3f9k n ASN 18 Cb 0.26 -1.03 -0.09 0.00 -2.08 0.00 0.00 39.78 36.84 3f9k n ASN 18 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3f9k h VAL 19 N -2.46 0.30 -0.48 3.53 2.07 -1.91 -1.97 116.25 115.34 3f9k h VAL 19 Ca -0.43 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.16 3f9k h VAL 19 Cb 1.26 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3f9k h VAL 19 CO 0.29 0.00 0.32 0.11 0.02 0.00 0.00 177.57 178.31 3f9k h LYS 20 N -0.96 0.32 -0.04 1.57 1.57 -1.94 -1.52 116.57 115.56 3f9k h LYS 20 Ca -0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3f9k h LYS 20 Cb 0.73 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3f9k h LYS 20 CO 0.16 0.21 -0.11 1.49 -0.57 0.00 0.00 179.45 180.63 3f9k h GLU 21 N 0.33 0.15 -0.42 3.15 4.57 -1.76 -2.30 114.58 118.29 3f9k h GLU 21 Ca 0.22 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 3f9k h GLU 21 Cb 0.43 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 3f9k h GLU 21 CO -0.05 0.70 0.12 -0.07 -1.18 0.00 0.00 179.01 178.53 3f9k h LEU 22 N -0.38 0.09 -0.33 1.64 3.38 -0.68 0.28 115.31 119.31 3f9k h LEU 22 Ca -0.00 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3f9k h LEU 22 Cb 0.70 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3f9k h LEU 22 CO 0.02 0.09 -0.02 0.28 0.09 0.00 0.00 178.44 178.90 3f9k h SER 23 N 0.27 -0.18 -0.11 -0.43 0.02 -1.37 -2.33 113.55 109.43 3f9k h SER 23 Ca 0.20 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 3f9k h SER 23 Cb 0.22 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3f9k h SER 23 CO -0.23 -0.05 0.01 -0.74 -1.14 0.00 0.00 176.83 174.68 3f9k h HIS 24 N 0.07 0.19 -0.72 3.45 -0.00 -0.75 0.19 115.15 117.58 3f9k h HIS 24 Ca 0.16 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 3f9k h HIS 24 Cb 0.22 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.55 3f9k h HIS 24 CO -0.25 0.39 0.28 -0.22 -0.00 0.00 0.00 177.93 178.13 3f9k h LYS 25 N -0.06 1.07 -0.00 5.26 1.63 -0.42 -3.31 116.57 120.73 3f9k h LYS 25 Ca 0.03 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 3f9k h LYS 25 Cb 0.31 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 3f9k h LYS 25 CO 0.00 0.87 -0.22 1.19 -3.45 0.00 0.00 179.45 177.85 3f9k n PHE 26 N -4.29 0.00 -1.68 1.91 3.72 -0.88 -5.00 117.46 111.24 3f9k n PHE 26 Ca 0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.35 3f9k n PHE 26 Cb 0.18 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.02 0.74 3.81 1.37 0.00 0.66 -5.00 105.19 107.79 3f9k n GLY 27 Ca 0.01 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.49 4.46 0.53 -0.61 -4.36 -1.20 -4.95 121.20 112.58 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 -3.79 -0.06 0.00 1.25 0.00 0.00 42.46 39.86 3f9k s ILE 28 CO 0.00 -0.01 1.39 -2.65 0.24 0.00 0.00 174.94 173.92 3f9k n PRO 29 N 0.16 1.84 -0.27 0.37 -0.02 -1.26 -4.42 135.00 131.41 3f9k n PRO 29 Ca 0.02 0.67 0.06 0.00 -2.02 0.00 0.00 63.50 62.23 3f9k n PRO 29 Cb 0.52 -2.61 0.20 0.00 -0.02 0.00 0.00 33.50 31.59 3f9k n PRO 29 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3f9k h ASN 30 N 1.64 0.33 -0.51 2.55 -1.24 -1.97 -1.71 115.58 114.67 3f9k h ASN 30 Ca -0.51 0.11 -0.07 0.00 0.71 0.00 0.00 56.30 56.54 3f9k h ASN 30 Cb 1.29 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 40.40 3f9k h ASN 30 CO 0.58 0.12 0.07 -0.07 -1.29 0.00 0.00 177.43 176.84 3f9k h LEU 31 N 0.47 0.87 -0.58 0.34 -0.00 -1.99 0.02 115.31 114.44 3f9k h LEU 31 Ca 0.44 -0.19 -0.06 0.00 -0.00 0.00 0.00 57.88 58.06 3f9k h LEU 31 Cb 0.67 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 3f9k h LEU 31 CO -0.41 0.88 0.11 0.58 -0.00 0.00 0.00 178.44 179.61 3f9k h VAL 32 N 0.86 1.25 -0.31 1.22 2.07 -1.70 -1.55 116.25 118.10 3f9k h VAL 32 Ca 0.17 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3f9k h VAL 32 Cb 0.40 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3f9k h VAL 32 CO 0.01 0.35 0.15 0.00 0.02 0.00 0.00 177.57 178.11 3f9k h ALA 33 N 1.01 0.40 -0.93 1.67 0.00 -0.98 -2.56 119.26 117.88 3f9k h ALA 33 Ca 0.18 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3f9k h ALA 33 Cb 0.39 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3f9k h ALA 33 CO 0.01 -0.05 0.61 -0.09 0.00 0.00 0.00 179.25 179.73 3f9k h ARG 34 N 0.37 1.14 -0.58 0.00 2.43 -0.80 -2.48 114.38 114.46 3f9k h ARG 34 Ca 0.11 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3f9k h ARG 34 Cb 0.11 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3f9k h ARG 34 CO -0.01 0.75 -0.05 -0.56 -1.51 0.00 0.00 179.97 178.59 3f9k h GLN 35 N 1.17 1.04 -0.64 0.20 -0.00 -1.11 -1.04 115.11 114.74 3f9k h GLN 35 Ca 0.37 -0.35 -0.01 0.00 -0.00 0.00 0.00 58.65 58.66 3f9k h GLN 35 Cb 0.01 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.48 27.37 3f9k h GLN 35 CO -0.12 1.04 0.37 0.82 -0.00 0.00 0.00 178.83 180.94 3f9k h ILE 36 N 0.94 1.19 -0.28 1.86 2.04 -1.05 -0.16 117.51 122.06 3f9k h ILE 36 Ca 0.16 -0.46 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 3f9k h ILE 36 Cb 0.61 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3f9k h ILE 36 CO 0.04 0.21 -0.31 0.58 0.00 0.00 0.00 178.15 178.67 3f9k h VAL 37 N 0.87 1.30 -0.51 1.67 2.07 -1.30 -3.18 116.25 117.17 3f9k h VAL 37 Ca 0.23 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 3f9k h VAL 37 Cb 0.01 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3f9k h VAL 37 CO -0.04 0.47 0.06 0.78 0.02 0.00 0.00 177.57 178.86 3f9k h ASN 38 N 0.44 0.84 0.00 0.57 2.35 -1.02 -2.24 115.58 116.51 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 0.88 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3f9k h ASN 38 CO 0.07 0.90 0.00 -1.54 -1.65 0.00 0.00 177.43 175.21 3f9k n SER 39 N -4.37 0.00 -4.73 5.81 3.41 -0.09 -4.73 113.62 108.93 3f9k n SER 39 Ca 0.01 -0.89 -0.37 0.00 -0.26 0.00 0.00 58.87 57.37 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 6.56 1.23 -0.62 0.00 0.00 -1.86 -2.82 119.26 121.74 3f9k h ALA 41 Ca -0.42 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3f9k h ALA 41 Cb 1.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3f9k h ALA 41 CO 0.75 0.07 0.00 1.04 0.00 0.00 0.00 179.25 181.10 3f9k n GLN 42 N -4.76 3.68 -4.20 0.00 3.00 -1.26 -5.20 117.38 108.64 3f9k n GLN 42 Ca 0.15 -2.74 -0.15 0.00 -0.01 0.00 0.00 57.00 54.24 3f9k n GLN 42 Cb 0.32 -1.90 -0.11 0.00 0.00 0.00 0.00 30.24 28.56 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 0.49 0.00 -3.68 0.00 0.31 -1.23 -5.01 118.33 109.20 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 0.23 3.42 0.22 4.52 2.47 -1.26 -4.75 114.94 119.79 3f9k s ASN 55 Ca 0.00 -3.00 0.05 0.00 0.42 0.00 0.00 52.86 50.32 3f9k s ASN 55 Cb 0.00 -1.04 -0.02 0.00 -1.45 0.00 0.00 41.25 38.75 3f9k s ASN 55 CO 0.00 -0.20 0.17 0.00 -3.72 0.00 0.00 177.10 173.35 3f9k n ALA 56 N 3.03 0.45 -1.76 1.71 0.00 -1.26 -5.06 120.51 117.63 3f9k n ALA 56 Ca 0.16 -1.26 -0.37 0.00 0.00 0.00 0.00 53.44 51.97 3f9k n ALA 56 Cb 0.38 1.00 0.02 0.00 0.00 0.00 0.00 19.45 20.85 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 -2.88 3.32 0.42 0.00 2.56 -1.26 -4.76 118.70 116.10 3f9k s GLU 57 Ca 0.25 1.97 0.10 0.00 0.00 0.00 0.00 54.97 57.29 3f9k s GLU 57 Cb 0.01 -2.23 0.91 0.00 2.00 0.00 0.00 34.13 34.81 3f9k s GLU 57 CO 0.17 -0.96 2.01 1.25 -0.56 0.00 0.00 175.26 177.17 3f9k h LEU 58 N 1.54 0.26 -0.36 2.70 5.85 -1.98 -2.85 115.31 120.46 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 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3f9k h LEU 58 CO 0.58 0.29 -0.09 0.61 -0.34 0.00 0.00 178.44 179.49 3f9k n GLY 59 N -1.19 -0.74 3.68 3.75 0.00 -1.26 -4.89 105.19 104.54 3f9k n GLY 59 Ca -0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.32 5.02 0.12 2.61 2.01 -1.08 -0.74 115.64 121.26 3f9k s THR 60 Ca 0.33 1.32 0.07 0.00 0.31 0.00 0.00 61.69 63.72 3f9k s THR 60 Cb 0.20 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3f9k s THR 60 CO 0.44 0.16 -0.16 0.26 -0.69 0.00 0.00 174.62 174.62 3f9k s TRP 61 N 1.51 1.55 -0.05 4.92 0.52 -0.07 -2.87 118.94 124.46 3f9k s TRP 61 Ca 0.33 -0.50 0.06 0.00 0.02 0.00 0.00 56.10 56.01 3f9k s TRP 61 Cb -0.16 -0.81 -0.02 0.00 -1.15 0.00 0.00 33.47 31.33 3f9k s TRP 61 CO 0.13 0.19 -0.23 -0.65 0.02 0.00 0.00 176.95 176.41 3f9k s GLN 62 N -2.49 2.45 0.15 4.98 -0.21 -0.11 -0.92 119.66 123.50 3f9k s GLN 62 Ca 0.09 -0.86 0.11 0.00 0.02 0.00 0.00 55.36 54.71 3f9k s GLN 62 Cb -0.06 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 3f9k s GLN 62 CO 0.04 0.47 -0.25 1.41 -2.12 0.00 0.00 175.29 174.84 3f9k s MET 63 N -0.38 1.40 0.16 2.91 1.75 -1.05 -0.07 119.30 124.03 3f9k s MET 63 Ca 0.03 -1.39 -0.25 0.00 -1.25 0.00 0.00 55.69 52.84 3f9k s MET 63 Cb -0.12 -1.80 0.06 0.00 2.84 0.00 0.00 34.83 35.81 3f9k s MET 63 CO 0.02 0.41 0.89 0.34 -0.65 0.00 0.00 175.02 176.03 3f9k s ASP 64 N -2.26 -0.23 0.06 1.11 2.15 0.38 -4.47 116.67 113.42 3f9k s ASP 64 Ca 0.15 -0.39 0.07 0.00 0.43 0.00 0.00 52.55 52.82 3f9k s ASP 64 Cb -0.09 0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 43.02 3f9k s ASP 64 CO 0.07 -0.96 -0.17 0.00 -0.17 0.00 0.00 175.17 173.94 3f9k s THR 66 N -0.99 0.18 0.02 0.00 -1.32 -0.02 -5.00 115.64 108.51 3f9k s THR 66 Ca 0.16 -1.69 0.07 0.00 -1.21 0.00 0.00 61.69 59.02 3f9k s THR 66 Cb -0.11 -1.58 -0.02 0.00 -1.51 0.00 0.00 72.50 69.29 3f9k s THR 66 CO 0.07 -0.83 -0.21 -1.00 -2.21 0.00 0.00 174.62 170.43 3f9k s HIS 67 N -3.93 1.89 -0.20 9.09 3.76 -1.26 -0.42 115.29 124.23 3f9k s HIS 67 Ca 0.09 -0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 3f9k s HIS 67 Cb 0.07 -1.16 0.08 0.00 1.11 0.00 0.00 32.58 32.68 3f9k s HIS 67 CO -0.08 0.06 0.45 -1.17 -0.85 0.00 0.00 174.74 173.15 3f9k s LEU 68 N -0.97 -0.44 -1.61 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 1.49 0.12 0.00 -0.43 0.00 0.00 46.19 47.28 3f9k s LEU 68 CO 0.01 -0.21 0.78 -0.62 -0.29 0.00 0.00 176.35 176.01 3f9k n GLU 69 N 4.76 -3.76 -0.89 1.98 1.02 -1.26 -0.54 120.64 121.95 3f9k n GLU 69 Ca -0.17 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 3f9k n GLU 69 Cb 0.53 -5.10 0.00 0.00 -0.02 0.00 0.00 31.44 26.85 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 -1.56 0.49 3.92 0.62 0.00 -1.26 -5.01 105.19 102.39 3f9k n GLY 70 Ca 0.00 0.00 -0.30 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 -0.53 3.49 -0.30 1.61 3.01 0.29 -5.09 119.74 122.22 3f9k s LYS 71 Ca 0.00 -0.36 -0.13 0.00 -1.01 0.00 0.00 55.97 54.46 3f9k s LYS 71 Cb 0.00 -2.97 -0.03 0.00 -1.01 0.00 0.00 37.83 33.81 3f9k s LYS 71 CO 0.00 0.55 0.30 0.42 0.51 0.00 0.00 175.35 177.13 3f9k s ILE 72 N -1.59 5.23 -0.22 2.17 1.01 -1.26 -1.60 121.20 124.94 3f9k s ILE 72 Ca 0.37 0.24 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 3f9k s ILE 72 Cb -0.12 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3f9k s ILE 72 CO 0.27 0.12 0.03 -0.63 0.00 0.00 0.00 174.94 174.73 3f9k s ILE 73 N 1.92 4.12 -0.01 2.92 1.01 0.44 -1.00 121.20 130.60 3f9k s ILE 73 Ca 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 3f9k s ILE 73 Cb -0.16 -2.88 -0.06 0.00 0.01 0.00 0.00 42.46 39.37 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 1.18 5.08 -0.04 2.92 2.07 0.25 -0.84 121.20 131.82 3f9k s ILE 74 Ca 0.04 0.76 0.01 0.00 -1.41 0.00 0.00 60.65 60.04 3f9k s ILE 74 Cb -0.14 -3.68 0.02 0.00 0.13 0.00 0.00 42.46 38.79 3f9k s ILE 74 CO 0.02 0.56 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.88 3f9k s VAL 75 N -1.10 0.49 -0.03 4.00 1.01 0.61 -1.91 120.40 123.46 3f9k s VAL 75 Ca 0.24 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.17 3f9k s VAL 75 Cb -0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3f9k s VAL 75 CO 0.13 0.21 -0.23 0.00 0.00 0.00 0.00 175.10 175.21 3f9k s ALA 76 N 0.86 1.97 -0.09 5.51 0.00 0.72 -0.47 121.76 130.27 3f9k s ALA 76 Ca -0.11 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.88 3f9k s ALA 76 Cb -0.14 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.44 3f9k s ALA 76 CO 0.00 0.43 -0.14 0.08 0.00 0.00 0.00 175.76 176.13 3f9k s VAL 77 N -0.35 1.36 -0.54 0.00 1.01 0.90 -0.81 120.40 121.98 3f9k s VAL 77 Ca 0.03 -0.58 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 3f9k s VAL 77 Cb -0.11 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3f9k s VAL 77 CO 0.01 0.41 1.40 -2.28 0.00 0.00 0.00 175.10 174.64 3f9k s HIS 78 N 0.85 2.33 0.23 5.22 2.46 0.40 -0.93 115.29 125.86 3f9k s HIS 78 Ca -0.10 0.51 -0.06 0.00 0.47 0.00 0.00 55.06 55.88 3f9k s HIS 78 Cb -0.15 -4.39 0.33 0.00 -0.13 0.00 0.00 32.58 28.24 3f9k s HIS 78 CO 0.01 -1.94 1.82 0.28 -2.47 0.00 0.00 174.74 172.44 3f9k h VAL 79 N 6.38 0.96 -0.54 0.89 2.07 -1.83 0.19 116.25 124.36 3f9k h VAL 79 Ca -0.27 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 3f9k h VAL 79 Cb 1.09 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3f9k h VAL 79 CO 1.16 0.15 -0.10 0.00 0.02 0.00 0.00 177.57 178.79 3f9k h ALA 80 N 1.41 0.79 0.00 1.67 0.00 -1.81 -3.28 119.26 118.05 3f9k h ALA 80 Ca 0.36 -0.35 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 3f9k h ALA 80 Cb 0.26 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3f9k h ALA 80 CO -0.21 0.67 -2.20 -1.13 0.00 0.00 0.00 179.25 176.38 3f9k n SER 81 N -4.15 0.13 0.00 0.00 3.41 -0.97 -3.75 113.62 108.30 3f9k n SER 81 Ca 0.02 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3f9k n SER 81 Cb 0.40 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 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 1.63 0.72 3.74 5.00 0.00 0.63 -4.70 105.19 112.20 3f9k n GLY 82 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.29 3.06 0.12 1.61 5.36 -1.23 -4.83 117.98 119.78 3f9k s PHE 83 Ca 0.00 1.01 0.11 0.00 -0.96 0.00 0.00 56.93 57.08 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 -0.26 0.96 -1.46 0.00 0.00 175.22 171.82 3f9k s ILE 84 N 0.17 2.20 -0.03 3.12 -4.36 -1.26 -0.45 121.20 120.58 3f9k s ILE 84 Ca 0.60 -1.70 0.05 0.00 -0.26 0.00 0.00 60.65 59.34 3f9k s ILE 84 Cb -0.41 -1.95 -0.01 0.00 1.25 0.00 0.00 42.46 41.34 3f9k s ILE 84 CO 0.41 0.11 -0.18 -1.61 0.24 0.00 0.00 174.94 173.90 3f9k s GLU 85 N -1.96 1.72 0.03 0.37 0.41 0.01 -4.93 118.70 114.35 3f9k s GLU 85 Ca 0.13 -0.64 -0.16 0.00 -0.41 0.00 0.00 54.97 53.88 3f9k s GLU 85 Cb -0.10 -1.55 0.03 0.00 -1.78 0.00 0.00 34.13 30.73 3f9k s GLU 85 CO 0.05 0.31 0.36 0.00 -0.49 0.00 0.00 175.26 175.49 3f9k s ALA 86 N -0.14 -0.87 -0.05 5.21 0.00 -1.26 -0.20 121.76 124.44 3f9k s ALA 86 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3f9k s ALA 86 Cb -0.10 0.26 0.08 0.00 0.00 0.00 0.00 23.12 23.36 3f9k s ALA 86 CO 0.01 -0.39 0.73 -2.00 0.00 0.00 0.00 175.76 174.11 3f9k s GLU 87 N -2.19 0.99 -0.07 0.00 2.12 -0.81 -4.73 118.70 114.01 3f9k s GLU 87 Ca -0.07 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 -0.01 -0.32 0.65 0.08 -0.54 0.00 0.00 175.26 175.12 3f9k s VAL 88 N -1.38 5.06 0.01 3.70 1.01 -1.26 -0.58 120.40 126.96 3f9k s VAL 88 Ca -0.08 1.33 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 32.36 3f9k s VAL 88 CO 0.07 0.29 -0.18 0.27 0.00 0.00 0.00 175.10 175.55 3f9k s ILE 89 N 0.65 2.81 0.21 2.22 -4.36 -0.17 -4.95 121.20 117.61 3f9k s ILE 89 Ca 0.35 -1.07 -0.09 0.00 -0.26 0.00 0.00 60.65 59.58 3f9k s ILE 89 Cb -0.17 -2.15 0.16 0.00 1.25 0.00 0.00 42.46 41.55 3f9k s ILE 89 CO 0.17 0.42 1.84 1.55 0.24 0.00 0.00 174.94 179.15 3f9k h PRO 90 N 4.80 0.80 -3.50 0.37 0.13 -1.98 -3.37 132.00 129.24 3f9k h PRO 90 Ca -0.47 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 3f9k h PRO 90 Cb 1.15 -0.18 -0.18 0.00 0.13 0.00 0.00 31.00 31.92 3f9k h PRO 90 CO 0.48 0.53 -0.39 1.14 -0.23 0.00 0.00 178.00 179.54 3f9k s GLN 91 N -6.10 0.67 0.00 0.86 0.00 -1.26 -4.93 119.66 108.90 3f9k s GLN 91 Ca -0.13 -0.56 -0.03 0.00 -0.00 0.00 0.00 55.36 54.64 3f9k s GLN 91 Cb 0.16 0.28 -0.16 0.00 0.00 0.00 0.00 33.01 33.29 3f9k s GLN 91 CO 0.77 -0.19 2.62 -1.91 0.00 0.00 0.00 175.29 176.58 3f9k n GLU 92 N 0.83 1.38 -2.58 9.60 2.13 -1.26 -4.71 120.64 126.02 3f9k n GLU 92 Ca -0.20 -0.58 -0.26 0.00 0.66 0.00 0.00 57.16 56.78 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 2.15 5.79 0.21 4.31 1.04 -1.26 -4.57 113.70 121.36 3f9k s SER 93 Ca 0.39 0.66 -0.10 0.00 0.48 0.00 0.00 55.95 57.38 3f9k s SER 93 Cb 0.19 -1.78 0.19 0.00 0.10 0.00 0.00 66.02 64.72 3f9k s SER 93 CO 0.00 -0.88 1.85 1.23 0.98 0.00 0.00 173.24 176.42 3f9k h GLY 94 N 0.04 1.04 0.87 7.32 0.00 -1.89 -2.60 103.07 107.85 3f9k h GLY 94 Ca -0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 3f9k h GLY 94 CO 0.60 0.29 0.07 -0.09 0.00 0.00 0.00 176.54 177.41 3f9k h ARG 95 N 0.89 0.28 -0.79 4.80 2.43 -1.94 0.32 114.38 120.37 3f9k h ARG 95 Ca 0.29 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3f9k h ARG 95 Cb 0.01 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3f9k h ARG 95 CO -0.11 0.37 0.50 1.96 -1.51 0.00 0.00 179.97 181.19 3f9k h GLN 96 N 0.13 1.06 0.23 0.20 1.08 -1.83 0.21 115.11 116.20 3f9k h GLN 96 Ca 0.06 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3f9k h GLN 96 Cb 0.20 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3f9k h GLN 96 CO -0.00 0.72 -0.11 1.15 -0.95 0.00 0.00 178.83 179.63 3f9k h THR 97 N 1.08 0.83 -0.76 -0.54 2.02 -1.26 -1.49 112.91 112.78 3f9k h THR 97 Ca 0.29 -0.39 0.12 0.00 0.77 0.00 0.00 66.41 67.19 3f9k h THR 97 Cb -0.09 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.30 3f9k h THR 97 CO -0.06 0.09 0.36 0.00 0.37 0.00 0.00 175.52 176.28 3f9k h ALA 98 N 0.20 1.08 -0.44 6.16 0.00 -0.34 0.90 119.26 126.82 3f9k h ALA 98 Ca -0.03 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3f9k h ALA 98 Cb 0.38 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3f9k h ALA 98 CO 0.05 -0.10 0.29 -0.07 0.00 0.00 0.00 179.25 179.43 3f9k h LEU 99 N 0.57 0.50 -0.62 0.00 4.07 -0.55 -1.15 115.31 118.14 3f9k h LEU 99 Ca 0.40 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.34 3f9k h LEU 99 Cb 0.51 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 3f9k h LEU 99 CO -0.33 0.36 0.38 0.15 -1.08 0.00 0.00 178.44 177.92 3f9k h PHE 100 N 0.59 0.80 -0.45 1.13 3.57 -0.10 -1.97 116.94 120.51 3f9k h PHE 100 Ca 0.16 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3f9k h PHE 100 Cb -0.06 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 3f9k h PHE 100 CO -0.05 0.54 0.28 1.25 -2.23 0.00 0.00 178.31 178.11 3f9k h LEU 101 N 0.83 0.47 -0.93 0.59 6.46 -0.61 -1.28 115.31 120.85 3f9k h LEU 101 Ca 0.22 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.02 3f9k h LEU 101 Cb -0.04 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 39.73 3f9k h LEU 101 CO -0.04 0.34 0.60 -0.07 -0.62 0.00 0.00 178.44 178.65 3f9k h LEU 102 N 0.57 1.00 0.29 2.25 3.38 -0.80 0.14 115.31 122.14 3f9k h LEU 102 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3f9k h LEU 102 Cb -0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3f9k h LEU 102 CO -0.06 0.68 -0.17 0.11 0.09 0.00 0.00 178.44 179.09 3f9k h LYS 103 N 1.16 -0.42 -0.46 1.13 1.57 -0.92 -1.26 116.57 117.37 3f9k h LYS 103 Ca 0.38 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.27 3f9k h LYS 103 Cb 0.03 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 3f9k h LYS 103 CO -0.13 -0.28 0.00 1.25 -0.57 0.00 0.00 179.45 179.72 3f9k h LEU 104 N -0.44 -0.19 -1.47 2.94 5.85 -0.62 -1.68 115.31 119.71 3f9k h LEU 104 Ca -0.03 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3f9k h LEU 104 Cb 0.36 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3f9k h LEU 104 CO 0.04 -0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.08 3f9k h ALA 105 N 1.40 1.00 0.00 1.25 0.00 -0.55 -1.66 119.26 120.71 3f9k h ALA 105 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3f9k h ALA 105 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3f9k h ALA 105 CO -0.38 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.74 3f9k n SER 106 N -2.98 0.00 -0.01 0.00 3.41 -0.49 -4.11 113.62 109.43 3f9k n SER 106 Ca 0.01 0.11 -0.02 0.00 -0.26 0.00 0.00 58.87 58.70 3f9k n SER 106 Cb 0.28 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.37 0.06 -4.24 4.33 1.74 -0.88 -5.09 116.66 111.21 3f9k n ARG 107 Ca 0.11 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 3f9k n ARG 107 Cb 0.27 -0.79 -0.09 0.00 -1.02 0.00 0.00 32.46 30.83 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 -2.05 2.74 -1.22 -1.55 0.52 -0.68 -5.04 118.94 111.67 3f9k s TRP 108 Ca -0.04 -0.17 -0.20 0.00 0.02 0.00 0.00 56.10 55.71 3f9k s TRP 108 Cb 0.01 -1.34 0.02 0.00 -1.15 0.00 0.00 33.47 31.01 3f9k s TRP 108 CO 0.05 0.51 1.76 -2.14 0.02 0.00 0.00 176.95 177.15 3f9k s PRO 109 N -2.82 3.50 -0.06 4.98 0.02 -1.26 -4.57 135.00 134.79 3f9k s PRO 109 Ca 0.26 -1.60 -0.28 0.00 0.02 0.00 0.00 61.00 59.40 3f9k s PRO 109 Cb -0.09 -5.42 -0.02 0.00 0.02 0.00 0.00 34.50 28.98 3f9k s PRO 109 CO 0.17 -2.73 0.92 0.42 -0.33 0.00 0.00 177.00 175.45 3f9k s ILE 110 N 6.27 4.88 -0.13 2.83 1.01 -1.26 -4.51 121.20 130.28 3f9k s ILE 110 Ca 0.57 1.90 0.02 0.00 0.00 0.00 0.00 60.65 63.15 3f9k s ILE 110 Cb 0.02 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 38.14 3f9k s ILE 110 CO 0.06 0.11 -0.10 0.41 0.00 0.00 0.00 174.94 175.43 3f9k n THR 111 N 4.17 0.77 -3.72 2.92 -1.04 0.08 -4.75 114.28 112.71 3f9k n THR 111 Ca 0.05 -0.32 -0.15 0.00 -2.04 0.00 0.00 64.05 61.59 3f9k n THR 111 Cb 0.50 -0.94 -0.15 0.00 -1.82 0.00 0.00 70.33 67.92 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 -0.15 -0.11 -1.42 5.65 -0.41 -0.80 115.29 115.78 3f9k s HIS 112 Ca -0.16 0.50 -0.01 0.00 0.25 0.00 0.00 55.06 55.64 3f9k s HIS 112 Cb 0.04 -0.17 -0.02 0.00 -1.18 0.00 0.00 32.58 31.25 3f9k s HIS 112 CO 0.33 -0.20 -0.08 -1.17 -0.65 0.00 0.00 174.74 172.98 3f9k s LEU 113 N 1.60 3.05 -0.09 8.88 0.20 0.94 -0.89 118.68 132.37 3f9k s LEU 113 Ca -0.04 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.64 3f9k s LEU 113 Cb -0.12 -1.69 0.01 0.00 -0.43 0.00 0.00 46.19 43.96 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 -0.07 1.79 0.21 5.38 5.65 -0.10 -0.95 115.29 127.20 3f9k s HIS 114 Ca 0.00 -0.77 -0.01 0.00 0.25 0.00 0.00 55.06 54.53 3f9k s HIS 114 Cb -0.13 -1.30 -0.04 0.00 -1.18 0.00 0.00 32.58 29.93 3f9k s HIS 114 CO 0.03 -0.39 0.17 0.95 -0.65 0.00 0.00 174.74 174.84 3f9k s THR 115 N 0.84 0.00 0.45 0.89 -4.23 -0.89 -2.52 115.64 110.18 3f9k s THR 115 Ca -0.10 -1.96 -0.08 0.00 -1.18 0.00 0.00 61.69 58.38 3f9k s THR 115 Cb -0.15 -2.48 0.11 0.00 1.34 0.00 0.00 72.50 71.32 3f9k s THR 115 CO 0.01 0.00 0.42 -0.90 -0.54 0.00 0.00 174.62 173.61 3f9k n ASP 116 N -0.36 -1.26 -1.12 3.99 5.68 -1.26 -1.48 116.55 120.75 3f9k n ASP 116 Ca 0.02 -0.80 0.06 0.00 -0.50 0.00 0.00 54.79 53.57 3f9k n ASP 116 Cb 0.65 -0.38 0.23 0.00 -1.14 0.00 0.00 41.12 40.49 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 -3.66 3.23 -4.47 -1.12 4.13 -1.26 -4.61 115.26 107.50 3f9k n ASN 117 Ca 0.06 -2.28 -0.53 0.00 1.68 0.00 0.00 54.58 53.51 3f9k n ASN 117 Cb 0.22 -0.46 -0.05 0.00 -1.54 0.00 0.00 39.78 37.95 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 0.84 -0.82 0.34 7.41 0.00 -1.26 -4.66 105.19 107.04 3f9k n GLY 118 Ca 0.17 0.55 0.19 0.00 0.00 0.00 0.00 46.02 46.92 3f9k n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f9k h ALA 119 N 2.24 1.79 -0.86 4.61 0.00 -1.94 0.86 119.26 125.97 3f9k h ALA 119 Ca -0.40 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3f9k h ALA 119 Cb 1.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 3f9k h ALA 119 CO 0.63 -0.35 0.47 -2.95 0.00 0.00 0.00 179.25 177.04 3f9k h ASN 120 N 0.50 1.07 0.92 0.00 -1.07 -1.87 -1.54 115.58 113.58 3f9k h ASN 120 Ca 0.66 -0.10 -0.15 0.00 0.07 0.00 0.00 56.30 56.78 3f9k h ASN 120 Cb 1.31 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 37.27 3f9k h ASN 120 CO -0.52 0.86 -0.69 -0.26 0.07 0.00 0.00 177.43 176.89 3f9k h PHE 121 N 1.19 0.00 -0.63 4.14 0.04 -1.17 -2.75 116.94 117.76 3f9k h PHE 121 Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 3f9k h PHE 121 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3f9k h PHE 121 CO 0.01 0.69 0.00 0.25 -0.60 0.00 0.00 178.31 178.66 3f9k n THR 122 N -3.51 1.40 -1.13 -1.55 -2.24 -0.88 -4.80 114.28 101.57 3f9k n THR 122 Ca -0.00 -1.02 -0.30 0.00 -2.27 0.00 0.00 64.05 60.46 3f9k n THR 122 Cb 0.73 0.23 0.15 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.91 3.24 0.13 3.42 1.04 -0.59 -4.90 113.70 115.12 3f9k s SER 123 Ca 0.47 1.52 -0.08 0.00 0.48 0.00 0.00 55.95 58.34 3f9k s SER 123 Cb 0.28 -2.19 -0.08 0.00 0.10 0.00 0.00 66.02 64.13 3f9k s SER 123 CO 0.26 -2.79 1.34 -0.61 0.98 0.00 0.00 173.24 172.42 3f9k h GLN 124 N -1.66 0.61 -0.25 4.02 5.75 -1.88 -2.66 115.11 119.05 3f9k h GLN 124 Ca -0.50 -0.53 -0.12 0.00 -0.15 0.00 0.00 58.65 57.35 3f9k h GLN 124 Cb 1.29 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.95 3f9k h GLN 124 CO 0.54 1.15 -0.36 1.49 -2.65 0.00 0.00 178.83 178.99 3f9k h GLU 125 N 0.40 0.55 -0.45 1.69 4.81 -1.93 -2.41 114.58 117.24 3f9k h GLU 125 Ca -0.06 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 3f9k h GLU 125 Cb 1.42 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.78 3f9k h GLU 125 CO 0.15 0.83 -0.02 0.28 -0.73 0.00 0.00 179.01 179.52 3f9k h VAL 126 N 0.47 1.26 -0.93 0.32 2.07 -1.77 -2.70 116.25 114.97 3f9k h VAL 126 Ca 0.05 -1.09 0.10 0.00 0.82 0.00 0.00 66.70 66.58 3f9k h VAL 126 Cb 0.84 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 3f9k h VAL 126 CO 0.07 0.38 0.60 0.50 0.02 0.00 0.00 177.57 179.13 3f9k h LYS 127 N 0.66 0.91 -0.01 1.57 3.64 -1.22 -0.23 116.57 121.88 3f9k h LYS 127 Ca 0.13 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3f9k h LYS 127 Cb 0.53 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3f9k h LYS 127 CO 0.03 0.60 -0.01 0.52 -2.27 0.00 0.00 179.45 178.32 3f9k h MET 128 N 0.93 0.03 -0.41 1.90 2.86 -1.31 -0.74 114.93 118.20 3f9k h MET 128 Ca 0.44 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.12 3f9k h MET 128 Cb 0.42 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 3f9k h MET 128 CO -0.20 0.43 0.10 0.28 1.06 0.00 0.00 176.91 178.59 3f9k h VAL 129 N -0.37 0.82 -0.68 -2.22 2.07 -1.15 0.30 116.25 115.01 3f9k h VAL 129 Ca 0.00 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.51 3f9k h VAL 129 Cb 0.42 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3f9k h VAL 129 CO 0.00 0.04 0.37 0.00 0.02 0.00 0.00 177.57 178.00 3f9k h ALA 130 N 1.29 0.91 -0.41 1.67 0.00 -1.02 -1.13 119.26 120.59 3f9k h ALA 130 Ca 0.19 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3f9k h ALA 130 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3f9k h ALA 130 CO -0.24 0.03 0.07 2.35 0.00 0.00 0.00 179.25 181.46 3f9k h TRP 131 N 0.66 0.72 -0.27 0.00 7.01 0.02 0.56 115.95 124.65 3f9k h TRP 131 Ca 0.31 -0.10 -0.06 0.00 2.11 0.00 0.00 58.89 61.15 3f9k h TRP 131 Cb 0.23 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3f9k h TRP 131 CO -0.09 0.70 -0.08 2.35 -2.79 0.00 0.00 178.44 178.53 3f9k h TRP 132 N 0.53 0.60 -0.14 2.65 7.01 -0.02 -2.97 115.95 123.61 3f9k h TRP 132 Ca 0.12 -0.13 -0.17 0.00 2.11 0.00 0.00 58.89 60.82 3f9k h TRP 132 Cb 0.37 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.28 3f9k h TRP 132 CO 0.03 0.75 -0.63 0.82 -2.79 0.00 0.00 178.44 176.62 3f9k h ILE 133 N 0.28 1.34 -0.46 2.65 1.08 -1.28 -3.48 117.51 117.64 3f9k h ILE 133 Ca 0.07 -1.94 0.00 0.00 -0.39 0.00 0.00 64.86 62.60 3f9k h ILE 133 Cb 0.57 1.92 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 0.39 0.72 3.32 5.37 0.00 0.11 -5.10 105.19 110.00 3f9k n GLY 134 Ca -0.04 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.80 2.57 0.11 -0.61 1.01 0.17 -4.79 121.20 117.87 3f9k s ILE 135 Ca 0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 60.65 59.57 3f9k s ILE 135 Cb 0.00 -2.02 -0.07 0.00 0.01 0.00 0.00 42.46 40.37 3f9k s ILE 135 CO 0.00 0.55 0.70 -0.70 0.00 0.00 0.00 174.94 175.49 3f9k s GLU 136 N 0.16 4.43 0.02 2.79 2.12 0.02 -4.51 118.70 123.74 3f9k s GLU 136 Ca -0.10 0.99 0.03 0.00 0.36 0.00 0.00 54.97 56.26 3f9k s GLU 136 Cb -0.16 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 3f9k s GLU 136 CO 0.06 0.54 -0.05 -0.65 -0.54 0.00 0.00 175.26 174.62 3f9k s GLN 137 N -0.94 2.57 0.05 4.30 -0.21 -1.26 -0.04 119.66 124.13 3f9k s GLN 137 Ca 0.34 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 55.00 3f9k s GLN 137 Cb -0.21 -2.53 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 3f9k s GLN 137 CO 0.23 0.59 -0.06 -1.54 -2.12 0.00 0.00 175.29 172.40 3f9k s SER 138 N -1.58 0.72 0.04 5.90 1.04 -0.12 -4.95 113.70 114.74 3f9k s SER 138 Ca 0.19 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 55.93 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 -2.33 0.80 0.00 5.02 0.40 -1.26 -2.09 117.98 118.52 3f9k s PHE 139 Ca -0.04 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 3f9k s PHE 139 Cb -0.04 -0.48 0.00 0.00 0.51 0.00 0.00 43.02 43.02 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 1.79 1.70 3.68 4.36 0.00 -0.55 -4.78 105.19 111.38 3f9k n GLY 140 Ca -0.20 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 5.15 0.60 1.61 1.01 -1.26 -4.77 120.40 122.75 3f9k s VAL 141 Ca 0.00 0.86 -0.18 0.00 0.00 0.00 0.00 61.98 62.66 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 0.23 1.19 -2.84 0.00 0.00 0.00 175.10 173.68 3f9k s PRO 142 N 1.34 2.93 0.46 2.72 0.02 -1.26 -4.91 135.00 136.30 3f9k s PRO 142 Ca 0.23 1.77 0.14 0.00 0.02 0.00 0.00 61.00 63.16 3f9k s PRO 142 Cb -0.15 -1.93 1.07 0.00 0.02 0.00 0.00 34.50 33.50 3f9k s PRO 142 CO 0.09 -1.22 2.05 -0.92 -0.33 0.00 0.00 177.00 176.67 3f9k h TYR 143 N 0.77 0.08 -3.58 6.54 3.20 -1.96 -3.38 116.97 118.64 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 -0.03 -0.14 0.00 1.54 0.00 0.00 36.73 39.40 3f9k h TYR 143 CO 0.48 0.15 0.07 1.21 -1.64 0.00 0.00 178.16 178.42 3f9k s ASN 144 N -6.98 6.40 0.09 -2.11 2.47 -1.26 -5.00 114.94 108.53 3f9k s ASN 144 Ca -0.05 0.13 -0.35 0.00 0.42 0.00 0.00 52.86 53.02 3f9k s ASN 144 Cb 0.16 -2.31 -0.17 0.00 -1.45 0.00 0.00 41.25 37.49 3f9k s ASN 144 CO 0.69 -0.53 1.58 -0.65 -3.72 0.00 0.00 177.10 174.47 3f9k h PRO 145 N 8.41 -0.94 -7.22 0.43 0.11 -2.00 -3.34 132.00 127.45 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 1.12 0.21 0.18 0.00 0.11 0.00 0.00 31.00 32.62 3f9k h PRO 145 CO 0.81 -0.63 0.32 1.14 -0.21 0.00 0.00 178.00 179.42 3f9k s GLN 146 N -5.93 1.59 0.00 1.05 -2.07 -1.26 -2.19 119.66 110.84 3f9k s GLN 146 Ca -0.18 1.68 0.00 0.00 -1.82 0.00 0.00 55.36 55.04 3f9k s GLN 146 Cb 0.04 -1.78 0.00 0.00 -1.09 0.00 0.00 33.01 30.19 3f9k s GLN 146 CO 0.61 -2.24 0.00 0.45 -1.32 0.00 0.00 175.29 172.80 3f9k n SER 147 N -3.46 0.00 -4.63 12.60 2.88 -1.26 -5.01 113.62 114.74 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 -0.18 4.10 0.00 -1.46 2.00 -0.93 -4.08 119.66 119.10 3f9k s GLN 148 Ca 0.00 0.41 0.00 0.00 -2.00 0.00 0.00 55.36 53.77 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 4.23 0.68 0.07 2.59 0.00 -1.26 -5.00 105.19 106.49 3f9k n GLY 149 Ca -0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 1.34 -0.58 1.61 2.07 -2.00 -1.89 116.25 116.79 3f9k h VAL 150 Ca 0.00 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.40 3f9k h VAL 150 Cb 0.00 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3f9k h VAL 150 CO 0.00 0.30 0.30 0.58 0.02 0.00 0.00 177.57 178.77 3f9k h VAL 151 N -0.55 0.95 -0.50 2.57 2.07 -1.91 0.72 116.25 119.61 3f9k h VAL 151 Ca -0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3f9k h VAL 151 Cb 0.51 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3f9k h VAL 151 CO 0.01 0.10 0.30 -0.33 0.02 0.00 0.00 177.57 177.67 3f9k h GLU 152 N 0.57 0.58 -0.08 1.57 3.07 -1.97 0.34 114.58 118.66 3f9k h GLU 152 Ca 0.26 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.09 3f9k h GLU 152 Cb 0.17 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 3f9k h GLU 152 CO -0.18 0.39 0.04 0.00 -1.40 0.00 0.00 179.01 177.86 3f9k h ALA 153 N 1.22 0.10 -0.84 3.43 0.00 -0.80 -2.60 119.26 119.76 3f9k h ALA 153 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.23 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 -0.08 -0.43 0.47 0.52 0.00 0.00 0.00 179.25 179.73 3f9k h MET 154 N 0.09 0.72 -0.84 0.00 2.86 -0.18 -1.31 114.93 116.27 3f9k h MET 154 Ca 0.03 -0.04 0.19 0.00 -2.06 0.00 0.00 59.70 57.82 3f9k h MET 154 Cb 0.01 -0.16 -0.12 0.00 0.06 0.00 0.00 31.60 31.39 3f9k h MET 154 CO -0.03 0.48 0.33 -0.91 1.06 0.00 0.00 176.91 177.84 3f9k h ASN 155 N 0.74 0.25 -0.02 1.22 2.35 0.04 0.20 115.58 120.37 3f9k h ASN 155 Ca 0.43 0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 56.31 3f9k h ASN 155 Cb 0.47 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 3f9k h ASN 155 CO -0.29 0.02 -0.02 0.45 -1.65 0.00 0.00 177.43 175.94 3f9k h HIS 156 N 0.39 0.06 -0.74 1.19 3.86 -1.14 -2.20 115.15 116.58 3f9k h HIS 156 Ca 0.50 -0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.79 3f9k h HIS 156 Cb 0.89 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 29.27 3f9k h HIS 156 CO -0.17 0.52 0.37 0.45 0.86 0.00 0.00 177.93 179.96 3f9k h HIS 157 N -0.41 0.66 -0.38 2.45 3.86 -0.84 0.36 115.15 120.84 3f9k h HIS 157 Ca 0.00 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3f9k h HIS 157 Cb 0.51 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 3f9k h HIS 157 CO 0.09 0.22 0.15 1.25 0.86 0.00 0.00 177.93 180.51 3f9k h LEU 158 N 0.61 0.18 -0.59 2.43 5.85 -0.62 -0.69 115.31 122.49 3f9k h LEU 158 Ca 0.37 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 59.07 3f9k h LEU 158 Cb 0.42 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3f9k h LEU 158 CO -0.29 0.14 0.14 0.11 -0.34 0.00 0.00 178.44 178.20 3f9k h LYS 159 N 0.32 0.95 -0.98 1.25 1.57 -0.45 0.22 116.57 119.44 3f9k h LYS 159 Ca 0.17 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3f9k h LYS 159 Cb 0.13 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 3f9k h LYS 159 CO -0.16 0.88 0.64 -0.91 -0.57 0.00 0.00 179.45 179.33 3f9k h ASN 160 N 0.86 1.06 -0.27 0.86 2.35 -0.09 0.74 115.58 121.08 3f9k h ASN 160 Ca 0.18 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 3f9k h ASN 160 Cb 0.36 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3f9k h ASN 160 CO 0.00 0.71 -0.14 -0.61 -1.65 0.00 0.00 177.43 175.75 3f9k h GLN 161 N 1.22 0.58 -0.97 0.81 5.75 -0.66 -2.32 115.11 119.53 3f9k h GLN 161 Ca 0.40 -0.26 0.14 0.00 -0.15 0.00 0.00 58.65 58.78 3f9k h GLN 161 Cb 0.04 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.49 3f9k h GLN 161 CO -0.13 0.83 0.58 0.82 -2.65 0.00 0.00 178.83 178.28 3f9k h ILE 162 N 0.32 0.83 -0.21 2.39 1.08 -0.50 -2.32 117.51 119.10 3f9k h ILE 162 Ca 0.06 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3f9k h ILE 162 Cb 0.66 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 3f9k h ILE 162 CO 0.04 0.16 0.14 -1.28 -0.69 0.00 0.00 178.15 176.52 3f9k h SER 163 N 0.86 0.24 0.40 1.72 0.87 -0.46 -0.78 113.55 116.40 3f9k h SER 163 Ca 0.51 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.04 3f9k h SER 163 Cb 0.62 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3f9k h SER 163 CO -0.31 0.18 -0.06 0.03 -0.53 0.00 0.00 176.83 176.14 3f9k h ARG 164 N 0.28 0.00 0.00 2.24 3.08 -0.88 -3.02 114.38 116.07 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 -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3f9k h ARG 164 CO -0.02 0.06 -0.00 0.44 -1.07 0.00 0.00 179.97 179.38 3f9k n ILE 165 N -3.39 0.95 -0.31 2.04 -5.35 -1.11 -4.84 119.36 107.36 3f9k n ILE 165 Ca -0.02 -0.96 0.14 0.00 -0.27 0.00 0.00 62.75 61.65 3f9k n ILE 165 Cb 0.20 0.52 0.32 0.00 -1.74 0.00 0.00 39.64 38.94 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 0.30 0.00 6.28 9.65 -1.01 -0.33 114.38 129.27 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 0.53 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 3f9k h ARG 166 CO 0.00 0.20 0.00 0.39 2.80 0.00 0.00 179.97 183.36 3f9k n GLU 167 N -5.12 0.74 0.00 0.20 4.71 -1.26 -3.35 120.64 116.56 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 0.71 -1.50 0.35 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 -1.02 0.49 -3.50 3.49 6.02 -0.13 -4.90 117.38 117.83 3f9k n GLN 168 Ca 0.18 -0.28 -0.17 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 29.81 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 -2.70 -1.72 -0.02 -1.58 0.00 -1.21 -5.09 121.76 109.44 3f9k s ALA 169 Ca 0.19 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 3f9k s ALA 169 Cb 0.19 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3f9k s ALA 169 CO 0.58 -0.46 0.18 -0.91 0.00 0.00 0.00 175.76 175.15 3f9k h ASN 170 N 2.77 -0.05 -4.10 0.00 2.35 -1.90 -3.47 115.58 111.17 3f9k h ASN 170 Ca -0.29 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.93 3f9k h ASN 170 Cb 1.18 0.01 0.13 0.00 0.05 0.00 0.00 38.32 39.69 3f9k h ASN 170 CO 0.39 0.08 0.49 0.42 -1.65 0.00 0.00 177.43 177.15 3f9k s THR 171 N -1.56 2.40 0.14 2.81 -4.23 -1.26 -4.94 115.64 108.99 3f9k s THR 171 Ca -0.01 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.72 3f9k s THR 171 Cb 0.00 -3.09 -0.17 0.00 1.34 0.00 0.00 72.50 70.59 3f9k s THR 171 CO 0.03 -0.06 1.33 0.40 -0.54 0.00 0.00 174.62 175.78 3f9k h ILE 172 N 0.72 1.42 -0.76 2.99 2.04 -1.98 -2.65 117.51 119.29 3f9k h ILE 172 Ca -0.51 -2.45 0.18 0.00 1.00 0.00 0.00 64.86 63.08 3f9k h ILE 172 Cb 1.31 2.40 -0.13 0.00 -0.74 0.00 0.00 36.82 39.66 3f9k h ILE 172 CO 0.54 0.73 0.04 -0.33 0.00 0.00 0.00 178.15 179.13 3f9k h GLU 173 N 0.21 0.12 0.04 2.37 3.07 -1.98 -0.81 114.58 117.60 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 1.53 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.42 3f9k h GLU 173 CO 0.15 0.08 -0.02 1.15 -1.40 0.00 0.00 179.01 178.97 3f9k h THR 174 N 0.13 1.35 -0.28 1.13 2.02 -1.95 -3.29 112.91 112.02 3f9k h THR 174 Ca 0.42 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 3f9k h THR 174 Cb 0.76 2.26 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 3f9k h THR 174 CO -0.65 0.34 0.15 -0.29 0.37 0.00 0.00 175.52 175.44 3f9k h ILE 175 N -0.68 1.09 0.48 3.11 6.09 -1.06 -2.23 117.51 124.32 3f9k h ILE 175 Ca -0.01 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.22 3f9k h ILE 175 Cb 0.60 0.73 0.00 0.00 0.47 0.00 0.00 36.82 38.62 3f9k h ILE 175 CO 0.01 0.10 -0.23 0.58 -3.07 0.00 0.00 178.15 175.54 3f9k h VAL 176 N 0.38 0.52 -0.81 2.19 2.07 -1.27 -0.92 116.25 118.41 3f9k h VAL 176 Ca 0.10 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3f9k h VAL 176 Cb 0.02 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3f9k h VAL 176 CO -0.02 0.01 0.53 -0.07 0.02 0.00 0.00 177.57 178.04 3f9k h LEU 177 N -0.68 0.78 -0.49 2.57 3.38 -1.50 0.14 115.31 119.51 3f9k h LEU 177 Ca -0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3f9k h LEU 177 Cb 0.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3f9k h LEU 177 CO 0.11 0.50 -0.04 0.24 0.09 0.00 0.00 178.44 179.34 3f9k h MET 178 N 0.88 0.90 -0.70 1.13 2.86 -1.27 -2.38 114.93 116.35 3f9k h MET 178 Ca 0.35 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3f9k h MET 178 Cb 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3f9k h MET 178 CO -0.12 0.96 0.32 0.00 1.06 0.00 0.00 176.91 179.12 3f9k h ALA 179 N 0.92 0.91 -0.41 6.32 0.00 0.21 -2.48 119.26 124.73 3f9k h ALA 179 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3f9k h ALA 179 Cb 0.58 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3f9k h ALA 179 CO 0.03 0.49 0.24 0.28 0.00 0.00 0.00 179.25 180.30 3f9k h VAL 180 N 0.99 1.04 -0.59 0.00 2.07 -0.91 -1.45 116.25 117.40 3f9k h VAL 180 Ca 0.24 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.69 3f9k h VAL 180 Cb 0.15 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 3f9k h VAL 180 CO -0.03 0.09 0.17 -0.74 0.02 0.00 0.00 177.57 177.08 3f9k h HIS 181 N 0.49 0.28 -0.43 1.57 6.17 -1.16 -1.05 115.15 121.02 3f9k h HIS 181 Ca 0.16 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.28 3f9k h HIS 181 Cb 0.01 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 29.88 3f9k h HIS 181 CO -0.07 0.03 0.27 0.00 0.71 0.00 0.00 177.93 178.87 3f9k h MET 183 N 0.57 0.43 0.00 0.00 2.86 -0.62 0.15 114.93 118.31 3f9k h MET 183 Ca 0.15 -0.20 -0.20 0.00 -2.06 0.00 0.00 59.70 57.39 3f9k h MET 183 Cb -0.05 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3f9k h MET 183 CO -0.03 0.75 -1.14 -0.91 1.06 0.00 0.00 176.91 176.64 3f9k h ASN 184 N 0.36 0.00 0.00 1.22 2.35 -1.10 -3.38 115.58 115.02 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 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3f9k h ASN 184 CO 0.07 0.84 -0.86 0.49 -1.65 0.00 0.00 177.43 176.33 3f9k n PHE 185 N -3.19 0.00 0.17 1.19 3.72 -0.57 -2.01 117.46 116.78 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 0.91 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 39.40 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 -1.45 4.50 -3.24 -1.08 4.76 0.52 -4.92 118.16 117.26 3f9k n LYS 186 Ca -0.00 -0.15 -0.39 0.00 -2.87 0.00 0.00 58.31 54.90 3f9k n LYS 186 Cb 0.05 -0.76 -0.06 0.00 -1.84 0.00 0.00 35.03 32.43 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 -1.14 4.31 -0.03 1.97 0.52 -1.18 -2.91 118.95 120.49 3f9k s ARG 187 Ca 0.02 0.53 0.04 0.00 -0.52 0.00 0.00 55.73 55.80 3f9k s ARG 187 Cb 0.03 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 3f9k s ARG 187 CO 0.13 0.03 -0.16 0.50 0.02 0.00 0.00 175.30 175.82 3f9k s ARG 188 N 1.02 1.47 0.00 3.54 3.52 -1.26 -4.07 118.95 123.17 3f9k s ARG 188 Ca 0.28 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 3f9k s ARG 188 Cb -0.16 -1.35 0.00 0.00 -1.56 0.00 0.00 34.95 31.89 3f9k s ARG 188 CO 0.11 0.27 0.00 0.41 -0.81 0.00 0.00 175.30 175.29 3f9k n GLY 189 N 2.96 -0.61 7.00 8.12 0.00 -1.09 -4.53 105.19 117.04 3f9k n GLY 189 Ca -0.17 -0.54 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 0.17 -0.02 0.00 -1.26 -1.28 105.19 101.91 3f9k n GLY 190 Ca 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.84 -0.61 6.09 -2.02 -3.13 117.51 117.79 3f9k h ILE 191 Ca 0.00 -0.20 -0.33 0.00 -1.37 0.00 0.00 64.86 62.96 3f9k h ILE 191 Cb 0.00 0.90 -0.20 0.00 0.47 0.00 0.00 36.82 37.99 3f9k h ILE 191 CO 0.00 0.04 0.41 0.61 -3.07 0.00 0.00 178.15 176.15 3f9k n GLY 192 N -0.96 3.98 4.13 8.18 0.00 -1.26 -4.94 105.19 114.33 3f9k n GLY 192 Ca -0.09 -1.04 -0.45 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.53 -3.31 -4.41 1.61 8.00 -1.17 -4.97 116.55 111.78 3f9k n ASP 193 Ca 0.48 -1.31 -0.20 0.00 0.71 0.00 0.00 54.79 54.47 3f9k n ASP 193 Cb 1.50 -1.58 -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 -7.50 1.50 0.54 -1.24 0.23 -0.40 -4.55 119.30 107.89 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 -1.05 -0.06 0.00 -1.53 0.00 0.00 34.83 31.96 3f9k s MET 194 CO 0.98 0.02 0.96 0.95 -2.03 0.00 0.00 175.02 175.89 3f9k s THR 195 N -3.09 4.68 0.24 3.16 -4.23 -1.26 -2.66 115.64 112.48 3f9k s THR 195 Ca 0.29 0.89 -0.04 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 70.29 3f9k s THR 195 CO 0.11 -0.88 1.75 -0.65 -0.54 0.00 0.00 174.62 174.41 3f9k h PRO 196 N 0.36 0.51 -0.13 3.99 0.11 -1.74 -0.08 132.00 135.02 3f9k h PRO 196 Ca -0.46 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3f9k h PRO 196 Cb 1.19 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 3f9k h PRO 196 CO 0.62 0.34 -0.17 1.03 -0.21 0.00 0.00 178.00 179.61 3f9k h SER 197 N 0.53 -0.54 -0.47 -2.05 0.87 -1.74 0.30 113.55 110.45 3f9k h SER 197 Ca 0.40 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 61.10 3f9k h SER 197 Cb 0.55 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 3f9k h SER 197 CO -0.35 -0.22 0.22 -0.33 -0.53 0.00 0.00 176.83 175.62 3f9k h GLU 198 N -0.22 0.43 -0.52 2.24 5.08 -1.60 -0.97 114.58 119.02 3f9k h GLU 198 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3f9k h GLU 198 Cb 0.36 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3f9k h GLU 198 CO -0.26 0.28 0.32 -0.09 -1.00 0.00 0.00 179.01 178.26 3f9k h ARG 199 N 0.44 0.70 0.21 2.33 2.43 -0.49 0.11 114.38 120.11 3f9k h ARG 199 Ca 0.21 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3f9k h ARG 199 Cb 0.13 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3f9k h ARG 199 CO -0.16 0.50 -0.10 1.25 -1.51 0.00 0.00 179.97 179.95 3f9k h LEU 200 N 0.69 -0.24 -0.87 3.80 5.85 -0.65 -1.35 115.31 122.55 3f9k h LEU 200 Ca 0.19 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.86 3f9k h LEU 200 Cb -0.02 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 3f9k h LEU 200 CO -0.04 0.00 0.51 0.40 -0.34 0.00 0.00 178.44 178.98 3f9k h ILE 201 N -0.49 0.92 -0.36 4.05 5.03 -1.04 -1.49 117.51 124.13 3f9k h ILE 201 Ca -0.03 -0.29 -0.10 0.00 -0.12 0.00 0.00 64.86 64.32 3f9k h ILE 201 Cb 0.37 -0.01 -0.02 0.00 -3.03 0.00 0.00 36.82 34.14 3f9k h ILE 201 CO 0.05 0.15 -0.18 -1.13 -0.68 0.00 0.00 178.15 176.36 3f9k h ASN 202 N 0.85 0.66 -0.43 1.72 -1.24 -0.65 -2.29 115.58 114.21 3f9k h ASN 202 Ca 0.42 -0.21 -0.10 0.00 0.71 0.00 0.00 56.30 57.12 3f9k h ASN 202 Cb 0.38 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 3f9k h ASN 202 CO -0.25 0.85 -0.11 0.24 -1.29 0.00 0.00 177.43 176.87 3f9k h MET 203 N 0.59 0.83 -0.87 6.67 2.86 -0.53 -2.76 114.93 121.72 3f9k h MET 203 Ca 0.09 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3f9k h MET 203 Cb 0.64 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 3f9k h MET 203 CO 0.04 0.95 0.54 0.82 1.06 0.00 0.00 176.91 180.32 3f9k h ILE 204 N 0.65 1.23 -0.46 -1.22 2.04 -1.09 -2.91 117.51 115.75 3f9k h ILE 204 Ca 0.11 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 3f9k h ILE 204 Cb 0.65 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3f9k h ILE 204 CO 0.04 0.24 -0.16 0.74 0.00 0.00 0.00 178.15 179.02 3f9k h THR 205 N 1.18 1.27 -0.03 -0.27 2.02 -1.34 -3.52 112.91 112.23 3f9k h THR 205 Ca 0.31 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3f9k h THR 205 Cb -0.08 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3f9k h THR 205 CO -0.06 0.44 0.00 0.35 0.37 0.00 0.00 175.52 176.62