#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9k h LEU 2 N 0.00 0.00 -1.84 7.52 -0.00 -2.04 -2.80 115.31 116.15 3f9k h LEU 2 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.98 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 0.50 -0.33 -0.00 0.00 0.00 178.44 178.61 3f9k h GLU 3 N 0.00 0.00 0.00 0.17 4.39 -2.04 -1.71 114.58 115.38 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 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3f9k h GLU 3 CO 0.00 0.00 -1.38 1.63 -1.16 0.00 0.00 179.01 178.10 3f9k n LYS 4 N -3.41 0.39 0.16 2.33 5.02 -1.06 -4.57 118.16 117.02 3f9k n LYS 4 Ca 0.06 -0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 3f9k n LYS 4 Cb 0.64 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 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 -0.46 -0.18 5.03 -1.45 -2.51 117.51 118.60 3f9k h ILE 5 Ca 0.00 -0.59 0.07 0.00 -0.12 0.00 0.00 64.86 64.22 3f9k h ILE 5 Cb 0.80 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 -0.45 -0.33 -0.68 0.00 0.00 178.15 176.80 3f9k h GLU 6 N -0.78 -0.29 -0.81 2.37 4.39 -1.81 -2.00 114.58 115.65 3f9k h GLU 6 Ca -0.04 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3f9k h GLU 6 Cb 0.51 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 3f9k h GLU 6 CO 0.07 -0.20 0.38 -1.35 -1.16 0.00 0.00 179.01 176.76 3f9k h PRO 7 N -0.30 1.17 -0.49 2.33 0.11 -1.82 -1.96 132.00 131.04 3f9k h PRO 7 Ca 0.14 -0.17 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3f9k h PRO 7 Cb 0.58 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3f9k h PRO 7 CO -0.61 0.90 0.17 0.00 -0.21 0.00 0.00 178.00 178.25 3f9k h ALA 8 N 1.26 0.64 0.00 -0.75 0.00 -0.93 0.19 119.26 119.67 3f9k h ALA 8 Ca 0.28 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3f9k h ALA 8 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3f9k h ALA 8 CO -0.03 0.28 -0.81 -0.56 0.00 0.00 0.00 179.25 178.13 3f9k h GLN 9 N 0.66 0.00 -0.30 0.00 3.07 -1.33 -2.03 115.11 115.17 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 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.78 3f9k h GLN 9 CO -0.01 0.81 0.16 1.49 0.09 0.00 0.00 178.83 181.37 3f9k h GLU 10 N 0.00 0.33 -0.81 0.06 4.57 -1.11 -0.74 114.58 116.88 3f9k h GLU 10 Ca -0.01 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3f9k h GLU 10 Cb 1.50 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.97 3f9k h GLU 10 CO 0.11 0.22 0.51 1.49 -1.18 0.00 0.00 179.01 180.15 3f9k h GLU 11 N 0.34 0.95 -0.22 1.92 4.57 -0.44 -2.38 114.58 119.31 3f9k h GLU 11 Ca 0.12 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 58.05 3f9k h GLU 11 Cb 0.02 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 3f9k h GLU 11 CO -0.07 0.63 -0.63 1.25 -1.18 0.00 0.00 179.01 179.01 3f9k h HIS 12 N 0.98 1.06 -0.29 0.92 2.76 -1.13 -1.67 115.15 117.78 3f9k h HIS 12 Ca 0.33 -0.42 0.05 0.00 -2.20 0.00 0.00 60.37 58.14 3f9k h HIS 12 Cb 0.06 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3f9k h HIS 12 CO -0.03 1.24 0.20 0.93 -1.30 0.00 0.00 177.93 178.97 3f9k h GLU 13 N 0.57 0.14 0.02 5.26 5.08 -0.91 0.75 114.58 125.49 3f9k h GLU 13 Ca -0.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3f9k h GLU 13 Cb 1.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3f9k h GLU 13 CO 0.13 0.09 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.89 3f9k h LYS 14 N 0.15 0.04 0.00 2.33 3.64 -1.22 -3.42 116.57 118.10 3f9k h LYS 14 Ca 0.13 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3f9k h LYS 14 Cb 0.32 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3f9k h LYS 14 CO -0.02 1.04 -0.91 0.66 -2.27 0.00 0.00 179.45 177.95 3f9k n TYR 15 N -4.54 0.00 -3.05 1.91 4.01 -0.65 -5.01 117.16 109.83 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 -0.04 0.04 0.00 -0.31 0.00 0.00 39.34 39.56 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 -1.48 -1.78 -1.59 -0.72 8.25 0.26 -4.92 115.22 113.24 3f9k n HIS 16 Ca -0.00 0.56 -0.48 0.00 -0.26 0.00 0.00 57.72 57.54 3f9k n HIS 16 Cb 0.05 -3.77 -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 -1.59 1.58 -3.69 0.41 7.64 -1.26 -4.96 113.62 111.73 3f9k n SER 17 Ca -0.04 1.14 -0.30 0.00 1.01 0.00 0.00 58.87 60.68 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 0.54 -3.01 0.00 0.00 175.04 172.57 3f9k s ASN 18 N 0.02 1.12 0.07 6.43 2.20 -1.15 -4.74 114.94 118.88 3f9k s ASN 18 Ca 0.72 0.41 -0.36 0.00 -0.94 0.00 0.00 52.86 52.68 3f9k s ASN 18 Cb -0.81 -0.50 -0.20 0.00 -2.00 0.00 0.00 41.25 37.75 3f9k s ASN 18 CO 0.52 -3.98 1.59 0.58 -2.94 0.00 0.00 177.10 172.87 3f9k h VAL 19 N -2.49 0.11 -0.58 3.54 2.07 -1.91 -1.87 116.25 115.12 3f9k h VAL 19 Ca -0.43 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.20 3f9k h VAL 19 Cb 1.26 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 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 -1.17 0.32 -0.05 1.57 1.57 -1.94 -1.28 116.57 115.59 3f9k h LYS 20 Ca -0.11 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3f9k h LYS 20 Cb 0.91 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3f9k h LYS 20 CO 0.17 0.21 -0.10 1.49 -0.57 0.00 0.00 179.45 180.65 3f9k h GLU 21 N 0.33 0.15 -0.44 3.15 4.57 -1.76 -2.26 114.58 118.32 3f9k h GLU 21 Ca 0.27 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.41 3f9k h GLU 21 Cb 0.63 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.18 3f9k h GLU 21 CO -0.07 0.69 0.15 -0.07 -1.18 0.00 0.00 179.01 178.53 3f9k h LEU 22 N -0.37 0.15 -0.28 1.64 3.38 -0.48 0.30 115.31 119.65 3f9k h LEU 22 Ca 0.00 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3f9k h LEU 22 Cb 0.69 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3f9k h LEU 22 CO 0.02 0.12 -0.07 0.28 0.09 0.00 0.00 178.44 178.89 3f9k h SER 23 N 0.32 -0.25 -0.13 -0.43 0.02 -1.34 -2.28 113.55 109.46 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 0.20 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3f9k h SER 23 CO -0.21 -0.09 0.02 -0.74 -1.14 0.00 0.00 176.83 174.68 3f9k h HIS 24 N 0.00 0.22 -0.71 3.45 -0.00 -0.73 0.21 115.15 117.58 3f9k h HIS 24 Ca 0.13 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 3f9k h HIS 24 Cb 0.20 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 3f9k h HIS 24 CO -0.27 0.38 0.29 -0.22 -0.00 0.00 0.00 177.93 178.11 3f9k h LYS 25 N -0.01 1.05 -0.00 5.26 1.63 -0.37 -3.31 116.57 120.81 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 0.28 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 3f9k h LYS 25 CO 0.00 0.85 -0.23 1.19 -3.45 0.00 0.00 179.45 177.82 3f9k n PHE 26 N -4.30 0.00 -1.65 1.91 3.72 -0.87 -5.00 117.46 111.28 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 38.68 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 1.04 0.80 3.82 1.37 0.00 0.72 -5.01 105.19 107.93 3f9k n GLY 27 Ca 0.01 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 4.47 0.52 -0.61 -4.36 -1.20 -4.96 121.20 112.58 3f9k s ILE 28 Ca 0.00 1.38 -0.23 0.00 -0.26 0.00 0.00 60.65 61.54 3f9k s ILE 28 Cb 0.00 -3.77 -0.06 0.00 1.25 0.00 0.00 42.46 39.88 3f9k s ILE 28 CO 0.00 -0.03 1.37 -2.84 0.24 0.00 0.00 174.94 173.68 3f9k s PRO 29 N -2.54 3.30 0.26 0.37 0.02 -1.26 -4.42 135.00 130.73 3f9k s PRO 29 Ca 0.52 2.27 -0.02 0.00 0.02 0.00 0.00 61.00 63.79 3f9k s PRO 29 Cb -0.14 -2.37 0.52 0.00 0.02 0.00 0.00 34.50 32.53 3f9k s PRO 29 CO 0.19 -1.08 1.73 -0.97 -0.33 0.00 0.00 177.00 176.55 3f9k h ASN 30 N 1.70 0.36 -0.42 2.53 -1.24 -1.97 -1.58 115.58 114.97 3f9k h ASN 30 Ca -0.51 0.11 -0.08 0.00 0.71 0.00 0.00 56.30 56.54 3f9k h ASN 30 Cb 1.29 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 40.39 3f9k h ASN 30 CO 0.58 0.12 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.77 3f9k h LEU 31 N 0.49 0.79 -0.58 0.34 -0.00 -1.99 -0.01 115.31 114.36 3f9k h LEU 31 Ca 0.45 -0.20 -0.08 0.00 -0.00 0.00 0.00 57.88 58.05 3f9k h LEU 31 Cb 0.70 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 3f9k h LEU 31 CO -0.41 0.86 0.04 0.58 -0.00 0.00 0.00 178.44 179.51 3f9k h VAL 32 N 0.76 1.26 -0.25 1.22 2.07 -1.67 -1.66 116.25 117.99 3f9k h VAL 32 Ca 0.15 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 3f9k h VAL 32 Cb 0.47 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3f9k h VAL 32 CO 0.02 0.39 0.11 0.00 0.02 0.00 0.00 177.57 178.11 3f9k h ALA 33 N 0.99 0.32 -0.90 1.67 0.00 -0.98 -2.61 119.26 117.74 3f9k h ALA 33 Ca 0.17 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3f9k h ALA 33 Cb 0.49 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3f9k h ALA 33 CO 0.02 -0.11 0.57 -0.09 0.00 0.00 0.00 179.25 179.64 3f9k h ARG 34 N 0.26 1.03 -0.59 0.00 2.43 -0.84 -2.46 114.38 114.21 3f9k h ARG 34 Ca 0.08 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3f9k h ARG 34 Cb 0.14 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3f9k h ARG 34 CO -0.01 0.68 -0.01 -0.56 -1.51 0.00 0.00 179.97 178.57 3f9k h GLN 35 N 1.06 1.04 -0.61 0.20 -0.00 -1.14 -0.99 115.11 114.67 3f9k h GLN 35 Ca 0.38 -0.33 -0.01 0.00 -0.00 0.00 0.00 58.65 58.69 3f9k h GLN 35 Cb 0.11 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.48 27.47 3f9k h GLN 35 CO -0.15 1.02 0.33 0.82 -0.00 0.00 0.00 178.83 180.84 3f9k h ILE 36 N 0.95 1.20 -0.28 1.86 2.04 -1.07 -0.12 117.51 122.08 3f9k h ILE 36 Ca 0.17 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 3f9k h ILE 36 Cb 0.56 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3f9k h ILE 36 CO 0.03 0.22 -0.31 0.58 0.00 0.00 0.00 178.15 178.67 3f9k h VAL 37 N 0.83 1.30 -0.50 1.67 2.07 -1.29 -3.17 116.25 117.17 3f9k h VAL 37 Ca 0.21 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 3f9k h VAL 37 Cb 0.05 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3f9k h VAL 37 CO -0.03 0.47 0.09 0.78 0.02 0.00 0.00 177.57 178.90 3f9k h ASN 38 N 0.44 0.78 0.00 0.57 2.35 -1.02 -2.28 115.58 116.42 3f9k h ASN 38 Ca 0.04 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3f9k h ASN 38 Cb 0.88 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3f9k h ASN 38 CO 0.07 0.84 0.00 -1.54 -1.65 0.00 0.00 177.43 175.15 3f9k n SER 39 N -4.42 0.00 -4.74 5.81 3.41 -0.07 -4.72 113.62 108.89 3f9k n SER 39 Ca 0.01 -0.86 -0.37 0.00 -0.26 0.00 0.00 58.87 57.38 3f9k n SER 39 Cb 0.25 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 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 6.48 1.18 -0.61 0.00 0.00 -1.86 -2.87 119.26 121.58 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 18.86 3f9k h ALA 41 CO 0.74 0.05 0.00 1.04 0.00 0.00 0.00 179.25 181.08 3f9k n GLN 42 N -4.77 3.66 -4.20 0.00 3.00 -1.26 -5.20 117.38 108.61 3f9k n GLN 42 Ca 0.14 -2.72 -0.15 0.00 -0.01 0.00 0.00 57.00 54.26 3f9k n GLN 42 Cb 0.30 -1.89 -0.11 0.00 0.00 0.00 0.00 30.24 28.54 3f9k n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3f9k n VAL 54 N 0.51 0.00 -3.68 0.00 0.31 -1.23 -5.01 118.33 109.22 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 33.38 3f9k n VAL 54 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3f9k s ASN 55 N 0.13 3.43 0.21 4.52 2.47 -1.26 -4.74 114.94 119.70 3f9k s ASN 55 Ca 0.00 -2.98 0.04 0.00 0.42 0.00 0.00 52.86 50.35 3f9k s ASN 55 Cb 0.00 -1.03 -0.02 0.00 -1.45 0.00 0.00 41.25 38.75 3f9k s ASN 55 CO 0.00 -0.21 0.16 0.00 -3.72 0.00 0.00 177.10 173.33 3f9k n ALA 56 N 3.06 0.42 -1.76 1.71 0.00 -1.26 -5.06 120.51 117.63 3f9k n ALA 56 Ca 0.15 -1.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.04 3f9k n ALA 56 Cb 0.37 0.94 0.02 0.00 0.00 0.00 0.00 19.45 20.79 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 -2.83 3.24 0.40 0.00 2.56 -1.26 -4.76 118.70 116.04 3f9k s GLU 57 Ca 0.23 1.92 0.08 0.00 0.00 0.00 0.00 54.97 57.20 3f9k s GLU 57 Cb 0.01 -2.15 0.82 0.00 2.00 0.00 0.00 34.13 34.81 3f9k s GLU 57 CO 0.16 -1.02 1.98 1.25 -0.56 0.00 0.00 175.26 177.08 3f9k h LEU 58 N 1.37 0.36 -0.30 2.70 5.85 -1.98 -2.93 115.31 120.38 3f9k h LEU 58 Ca -0.50 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3f9k h LEU 58 Cb 1.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3f9k h LEU 58 CO 0.57 0.37 -0.08 0.61 -0.34 0.00 0.00 178.44 179.57 3f9k n GLY 59 N -1.17 -0.82 3.68 3.75 0.00 -1.26 -4.89 105.19 104.47 3f9k n GLY 59 Ca 0.01 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.34 5.00 0.13 2.61 2.01 -1.11 -0.73 115.64 121.21 3f9k s THR 60 Ca 0.33 1.35 0.07 0.00 0.31 0.00 0.00 61.69 63.74 3f9k s THR 60 Cb 0.20 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3f9k s THR 60 CO 0.44 0.14 -0.17 0.26 -0.69 0.00 0.00 174.62 174.60 3f9k s TRP 61 N 1.63 1.59 -0.05 4.92 0.52 -0.07 -2.85 118.94 124.63 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 -0.83 -0.02 0.00 -1.15 0.00 0.00 33.47 31.31 3f9k s TRP 61 CO 0.13 0.21 -0.24 -0.65 0.02 0.00 0.00 176.95 176.42 3f9k s GLN 62 N -2.53 2.44 0.16 4.98 -0.21 -0.07 -1.04 119.66 123.39 3f9k s GLN 62 Ca 0.10 -0.88 0.11 0.00 0.02 0.00 0.00 55.36 54.71 3f9k s GLN 62 Cb -0.06 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.74 3f9k s GLN 62 CO 0.04 0.45 -0.26 1.41 -2.12 0.00 0.00 175.29 174.82 3f9k s MET 63 N -0.34 1.46 0.15 2.91 1.75 -1.05 -0.07 119.30 124.11 3f9k s MET 63 Ca 0.02 -1.42 -0.25 0.00 -1.25 0.00 0.00 55.69 52.79 3f9k s MET 63 Cb -0.12 -1.88 0.06 0.00 2.84 0.00 0.00 34.83 35.73 3f9k s MET 63 CO 0.02 0.43 0.91 0.34 -0.65 0.00 0.00 175.02 176.06 3f9k s ASP 64 N -2.33 -0.23 0.08 1.11 2.15 0.37 -4.47 116.67 113.35 3f9k s ASP 64 Ca 0.17 -0.37 0.08 0.00 0.43 0.00 0.00 52.55 52.86 3f9k s ASP 64 Cb -0.09 0.51 -0.04 0.00 -0.30 0.00 0.00 42.92 43.01 3f9k s ASP 64 CO 0.08 -0.93 -0.18 0.00 -0.17 0.00 0.00 175.17 173.97 3f9k s THR 66 N -1.02 0.19 0.04 0.00 -1.32 -0.10 -5.00 115.64 108.42 3f9k s THR 66 Ca 0.16 -1.62 0.08 0.00 -1.21 0.00 0.00 61.69 59.10 3f9k s THR 66 Cb -0.11 -1.51 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 3f9k s THR 66 CO 0.07 -0.84 -0.22 -1.00 -2.21 0.00 0.00 174.62 170.42 3f9k s HIS 67 N -3.91 1.97 -0.20 9.09 3.76 -1.26 -0.46 115.29 124.27 3f9k s HIS 67 Ca 0.08 -0.39 -0.09 0.00 -0.15 0.00 0.00 55.06 54.51 3f9k s HIS 67 Cb 0.07 -1.18 0.08 0.00 1.11 0.00 0.00 32.58 32.66 3f9k s HIS 67 CO -0.09 0.10 0.46 -1.17 -0.85 0.00 0.00 174.74 173.18 3f9k s LEU 68 N -1.18 -0.44 -1.62 0.89 0.20 -0.62 -4.91 118.68 111.00 3f9k s LEU 68 Ca 0.09 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 0.79 -0.62 -0.29 0.00 0.00 176.35 176.03 3f9k n GLU 69 N 4.74 -3.76 -0.89 1.98 1.02 -1.26 -0.50 120.64 121.97 3f9k n GLU 69 Ca -0.17 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3f9k n GLU 69 Cb 0.53 -5.12 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 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 0.52 3.92 0.62 0.00 -1.26 -5.01 105.19 102.43 3f9k n GLY 70 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.50 3.50 -0.29 1.61 3.01 0.34 -5.09 119.74 122.33 3f9k s LYS 71 Ca 0.00 -0.35 -0.12 0.00 -1.01 0.00 0.00 55.97 54.49 3f9k s LYS 71 Cb 0.00 -2.95 -0.04 0.00 -1.01 0.00 0.00 37.83 33.83 3f9k s LYS 71 CO 0.00 0.53 0.24 0.42 0.51 0.00 0.00 175.35 177.05 3f9k s ILE 72 N -1.64 5.27 -0.21 2.17 1.01 -1.26 -1.59 121.20 124.95 3f9k s ILE 72 Ca 0.37 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 3f9k s ILE 72 Cb -0.12 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 3f9k s ILE 72 CO 0.27 0.19 0.01 -0.63 0.00 0.00 0.00 174.94 174.78 3f9k s ILE 73 N 1.83 3.99 -0.01 2.92 1.01 0.39 -1.04 121.20 130.28 3f9k s ILE 73 Ca 0.09 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 3f9k s ILE 73 Cb -0.16 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3f9k s ILE 73 CO 0.11 0.41 0.37 -0.51 0.00 0.00 0.00 174.94 175.32 3f9k s ILE 74 N 1.16 5.10 -0.04 2.92 2.07 0.31 -0.93 121.20 131.80 3f9k s ILE 74 Ca 0.03 0.73 0.01 0.00 -1.41 0.00 0.00 60.65 60.02 3f9k s ILE 74 Cb -0.14 -3.67 0.02 0.00 0.13 0.00 0.00 42.46 38.80 3f9k s ILE 74 CO 0.02 0.57 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.89 3f9k s VAL 75 N -1.09 0.49 -0.03 4.00 1.01 0.48 -1.93 120.40 123.33 3f9k s VAL 75 Ca 0.23 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.17 3f9k s VAL 75 Cb -0.16 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3f9k s VAL 75 CO 0.12 0.21 -0.23 0.00 0.00 0.00 0.00 175.10 175.20 3f9k s ALA 76 N 0.84 1.95 -0.09 5.51 0.00 0.91 -0.48 121.76 130.41 3f9k s ALA 76 Ca -0.11 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.90 3f9k s ALA 76 Cb -0.14 -0.55 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 -0.34 1.36 -0.55 0.00 1.01 0.90 -0.72 120.40 122.07 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 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3f9k s VAL 77 CO 0.01 0.41 1.41 -2.28 0.00 0.00 0.00 175.10 174.65 3f9k s HIS 78 N 0.85 2.30 0.24 5.22 2.46 0.33 -0.89 115.29 125.78 3f9k s HIS 78 Ca -0.10 0.49 -0.06 0.00 0.47 0.00 0.00 55.06 55.86 3f9k s HIS 78 Cb -0.15 -4.39 0.35 0.00 -0.13 0.00 0.00 32.58 28.26 3f9k s HIS 78 CO 0.01 -1.97 1.81 0.28 -2.47 0.00 0.00 174.74 172.40 3f9k h VAL 79 N 6.38 0.92 -0.57 0.89 2.07 -1.83 0.20 116.25 124.31 3f9k h VAL 79 Ca -0.27 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 3f9k h VAL 79 Cb 1.09 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3f9k h VAL 79 CO 1.17 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 178.83 3f9k h ALA 80 N 1.43 0.80 0.00 1.67 0.00 -1.80 -3.27 119.26 118.08 3f9k h ALA 80 Ca 0.37 -0.34 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 3f9k h ALA 80 Cb 0.31 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3f9k h ALA 80 CO -0.23 0.67 -2.23 -1.13 0.00 0.00 0.00 179.25 176.33 3f9k n SER 81 N -4.16 0.09 0.00 0.00 3.41 -0.95 -3.73 113.62 108.28 3f9k n SER 81 Ca 0.02 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3f9k n SER 81 Cb 0.38 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 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 0.67 -4.70 105.19 112.26 3f9k n GLY 82 Ca -0.26 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 -2.37 3.05 0.12 1.61 5.36 -1.24 -4.83 117.98 119.69 3f9k s PHE 83 Ca 0.00 1.03 0.10 0.00 -0.96 0.00 0.00 56.93 57.11 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 -2.60 -0.26 0.96 -1.46 0.00 0.00 175.22 171.86 3f9k s ILE 84 N 0.05 2.18 -0.04 3.12 -4.36 -1.26 -0.51 121.20 120.38 3f9k s ILE 84 Ca 0.59 -1.69 0.05 0.00 -0.26 0.00 0.00 60.65 59.35 3f9k s ILE 84 Cb -0.41 -1.93 -0.01 0.00 1.25 0.00 0.00 42.46 41.36 3f9k s ILE 84 CO 0.42 0.11 -0.19 -1.61 0.24 0.00 0.00 174.94 173.91 3f9k s GLU 85 N -1.94 1.84 0.02 0.37 0.41 0.11 -4.93 118.70 114.58 3f9k s GLU 85 Ca 0.13 -0.68 -0.16 0.00 -0.41 0.00 0.00 54.97 53.85 3f9k s GLU 85 Cb -0.10 -1.63 0.03 0.00 -1.78 0.00 0.00 34.13 30.64 3f9k s GLU 85 CO 0.05 0.31 0.35 0.00 -0.49 0.00 0.00 175.26 175.48 3f9k s ALA 86 N -0.13 -0.84 -0.07 5.21 0.00 -1.26 -0.06 121.76 124.61 3f9k s ALA 86 Ca -0.01 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.87 3f9k s ALA 86 Cb -0.11 0.25 0.08 0.00 0.00 0.00 0.00 23.12 23.34 3f9k s ALA 86 CO 0.02 -0.38 0.74 -2.00 0.00 0.00 0.00 175.76 174.13 3f9k s GLU 87 N -2.14 0.98 -0.08 0.00 2.12 -0.81 -4.73 118.70 114.03 3f9k s GLU 87 Ca -0.08 0.24 -0.22 0.00 0.36 0.00 0.00 54.97 55.27 3f9k s GLU 87 Cb -0.02 0.46 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 3f9k s GLU 87 CO -0.00 -0.30 0.66 0.08 -0.54 0.00 0.00 175.26 175.15 3f9k s VAL 88 N -1.16 5.07 0.01 3.70 1.01 -1.26 -0.53 120.40 127.23 3f9k s VAL 88 Ca -0.09 1.36 0.05 0.00 0.00 0.00 0.00 61.98 63.30 3f9k s VAL 88 Cb -0.00 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3f9k s VAL 88 CO 0.08 0.26 -0.15 0.27 0.00 0.00 0.00 175.10 175.57 3f9k s ILE 89 N 0.81 3.03 0.22 2.22 -4.36 -0.21 -4.96 121.20 117.96 3f9k s ILE 89 Ca 0.35 -0.97 -0.08 0.00 -0.26 0.00 0.00 60.65 59.69 3f9k s ILE 89 Cb -0.17 -2.26 0.16 0.00 1.25 0.00 0.00 42.46 41.44 3f9k s ILE 89 CO 0.17 0.42 1.83 1.55 0.24 0.00 0.00 174.94 179.15 3f9k h PRO 90 N 4.77 0.80 -3.52 0.37 0.13 -1.98 -3.38 132.00 129.20 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 31.92 3f9k h PRO 90 CO 0.50 0.53 -0.41 1.14 -0.23 0.00 0.00 178.00 179.53 3f9k s GLN 91 N -6.09 0.65 0.00 0.86 0.00 -1.26 -4.93 119.66 108.88 3f9k s GLN 91 Ca -0.13 -0.56 -0.04 0.00 -0.00 0.00 0.00 55.36 54.64 3f9k s GLN 91 Cb 0.16 0.27 -0.16 0.00 0.00 0.00 0.00 33.01 33.28 3f9k s GLN 91 CO 0.77 -0.18 2.65 -1.91 0.00 0.00 0.00 175.29 176.62 3f9k n GLU 92 N 0.87 1.40 -2.55 9.60 2.13 -1.26 -4.71 120.64 126.12 3f9k n GLU 92 Ca -0.20 -0.59 -0.26 0.00 0.66 0.00 0.00 57.16 56.77 3f9k n GLU 92 Cb 0.58 -1.69 0.02 0.00 0.27 0.00 0.00 31.44 30.62 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 2.14 5.70 0.21 4.31 1.04 -1.26 -4.57 113.70 121.28 3f9k s SER 93 Ca 0.40 0.63 -0.10 0.00 0.48 0.00 0.00 55.95 57.36 3f9k s SER 93 Cb 0.19 -1.70 0.18 0.00 0.10 0.00 0.00 66.02 64.79 3f9k s SER 93 CO 0.00 -0.94 1.87 1.23 0.98 0.00 0.00 173.24 176.38 3f9k h GLY 94 N -0.01 1.07 0.89 7.32 0.00 -1.89 -2.65 103.07 107.80 3f9k h GLY 94 Ca -0.46 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 3f9k h GLY 94 CO 0.60 0.35 0.08 -0.09 0.00 0.00 0.00 176.54 177.48 3f9k h ARG 95 N 0.97 0.38 -0.62 4.80 2.43 -1.94 0.15 114.38 120.55 3f9k h ARG 95 Ca 0.29 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 3f9k h ARG 95 Cb -0.05 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3f9k h ARG 95 CO -0.08 0.45 0.30 1.96 -1.51 0.00 0.00 179.97 181.08 3f9k h GLN 96 N 0.24 0.88 0.24 0.20 1.08 -1.83 0.22 115.11 116.13 3f9k h GLN 96 Ca 0.08 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3f9k h GLN 96 Cb 0.22 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3f9k h GLN 96 CO -0.00 0.68 -0.11 1.15 -0.95 0.00 0.00 178.83 179.59 3f9k h THR 97 N 0.88 0.83 -0.77 -0.54 2.02 -1.27 -1.53 112.91 112.53 3f9k h THR 97 Ca 0.22 -0.44 0.11 0.00 0.77 0.00 0.00 66.41 67.07 3f9k h THR 97 Cb 0.09 1.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.50 3f9k h THR 97 CO -0.03 0.10 0.39 0.00 0.37 0.00 0.00 175.52 176.34 3f9k h ALA 98 N 0.16 1.10 -0.47 6.16 0.00 -0.44 0.13 119.26 125.90 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 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3f9k h ALA 98 CO 0.05 -0.06 0.31 -0.07 0.00 0.00 0.00 179.25 179.48 3f9k h LEU 99 N 0.61 0.54 -0.60 0.00 4.07 -0.55 -1.18 115.31 118.20 3f9k h LEU 99 Ca 0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.33 3f9k h LEU 99 Cb 0.48 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 3f9k h LEU 99 CO -0.31 0.39 0.35 0.15 -1.08 0.00 0.00 178.44 177.94 3f9k h PHE 100 N 0.63 0.80 -0.47 1.13 3.57 -0.09 -2.09 116.94 120.43 3f9k h PHE 100 Ca 0.17 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3f9k h PHE 100 Cb -0.07 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 3f9k h PHE 100 CO -0.04 0.56 0.27 1.25 -2.23 0.00 0.00 178.31 178.11 3f9k h LEU 101 N 0.81 0.42 -1.04 0.59 6.46 -0.54 -1.42 115.31 120.60 3f9k h LEU 101 Ca 0.21 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 3f9k h LEU 101 Cb -0.00 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 3f9k h LEU 101 CO -0.04 0.30 0.65 -0.07 -0.62 0.00 0.00 178.44 178.66 3f9k h LEU 102 N 0.53 1.09 0.31 2.25 3.38 -0.81 0.96 115.31 123.02 3f9k h LEU 102 Ca 0.19 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3f9k h LEU 102 Cb 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3f9k h LEU 102 CO -0.10 0.76 -0.15 0.11 0.09 0.00 0.00 178.44 179.15 3f9k h LYS 103 N 1.27 -0.40 -0.43 1.13 1.57 -0.96 -1.49 116.57 117.25 3f9k h LYS 103 Ca 0.38 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.27 3f9k h LYS 103 Cb -0.04 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 3f9k h LYS 103 CO -0.11 -0.24 -0.05 1.25 -0.57 0.00 0.00 179.45 179.73 3f9k h LEU 104 N -0.46 -0.28 -1.41 2.94 5.85 -0.67 -1.70 115.31 119.58 3f9k h LEU 104 Ca -0.04 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3f9k h LEU 104 Cb 0.35 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3f9k h LEU 104 CO 0.07 -0.09 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 -0.68 -1.67 119.26 120.56 3f9k h ALA 105 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3f9k h ALA 105 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3f9k h ALA 105 CO -0.40 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.72 3f9k n SER 106 N -2.90 0.00 -0.02 0.00 3.41 -0.57 -4.13 113.62 109.41 3f9k n SER 106 Ca 0.01 0.25 -0.03 0.00 -0.26 0.00 0.00 58.87 58.83 3f9k n SER 106 Cb 0.27 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.41 0.07 -4.25 4.33 1.74 -0.83 -5.09 116.66 111.22 3f9k n ARG 107 Ca 0.10 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 3f9k n ARG 107 Cb 0.29 -0.83 -0.08 0.00 -1.02 0.00 0.00 32.46 30.81 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 -2.06 2.74 -1.21 -1.55 0.52 -0.69 -5.04 118.94 111.65 3f9k s TRP 108 Ca -0.04 -0.18 -0.20 0.00 0.02 0.00 0.00 56.10 55.69 3f9k s TRP 108 Cb 0.01 -1.33 0.03 0.00 -1.15 0.00 0.00 33.47 31.04 3f9k s TRP 108 CO 0.06 0.52 1.74 -2.14 0.02 0.00 0.00 176.95 177.15 3f9k s PRO 109 N -2.91 3.56 -0.07 4.98 0.02 -1.26 -4.57 135.00 134.74 3f9k s PRO 109 Ca 0.26 -1.59 -0.28 0.00 0.02 0.00 0.00 61.00 59.41 3f9k s PRO 109 Cb -0.09 -5.43 -0.02 0.00 0.02 0.00 0.00 34.50 28.98 3f9k s PRO 109 CO 0.17 -2.64 0.93 0.42 -0.33 0.00 0.00 177.00 175.55 3f9k s ILE 110 N 5.98 4.86 -0.14 2.83 1.01 -1.26 -4.51 121.20 129.97 3f9k s ILE 110 Ca 0.56 1.91 0.03 0.00 0.00 0.00 0.00 60.65 63.15 3f9k s ILE 110 Cb 0.02 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 3f9k s ILE 110 CO 0.05 0.09 -0.09 0.41 0.00 0.00 0.00 174.94 175.40 3f9k n THR 111 N 4.26 0.81 -3.72 2.92 -1.04 0.09 -4.75 114.28 112.85 3f9k n THR 111 Ca 0.06 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.05 61.57 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 -2.28 -0.16 -0.11 -1.42 5.65 -0.42 -0.78 115.29 115.77 3f9k s HIS 112 Ca -0.16 0.52 -0.00 0.00 0.25 0.00 0.00 55.06 55.66 3f9k s HIS 112 Cb 0.05 -0.15 -0.02 0.00 -1.18 0.00 0.00 32.58 31.27 3f9k s HIS 112 CO 0.36 -0.20 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.99 3f9k s LEU 113 N 1.56 2.99 -0.09 8.88 0.20 0.10 -0.89 118.68 131.42 3f9k s LEU 113 Ca -0.05 -0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.62 3f9k s LEU 113 Cb -0.12 -1.67 0.01 0.00 -0.43 0.00 0.00 46.19 43.98 3f9k s LEU 113 CO -0.06 0.25 -0.14 -2.28 -0.29 0.00 0.00 176.35 173.83 3f9k s HIS 114 N -0.12 1.78 0.21 5.38 5.65 -0.21 -1.03 115.29 126.96 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 -1.29 -0.04 0.00 -1.18 0.00 0.00 32.58 29.94 3f9k s HIS 114 CO 0.03 -0.40 0.15 0.95 -0.65 0.00 0.00 174.74 174.83 3f9k s THR 115 N 0.87 0.00 0.36 0.89 -4.23 -0.91 -2.54 115.64 110.08 3f9k s THR 115 Ca -0.10 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.38 3f9k s THR 115 Cb -0.15 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.29 3f9k s THR 115 CO 0.01 0.00 0.35 -0.90 -0.54 0.00 0.00 174.62 173.53 3f9k n ASP 116 N -0.33 -1.07 -1.20 3.99 5.68 -1.26 -1.41 116.55 120.95 3f9k n ASP 116 Ca 0.02 -0.78 0.06 0.00 -0.50 0.00 0.00 54.79 53.59 3f9k n ASP 116 Cb 0.66 -0.31 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 -3.51 3.49 -4.48 -1.12 4.13 -1.26 -4.60 115.26 107.91 3f9k n ASN 117 Ca 0.05 -2.33 -0.52 0.00 1.68 0.00 0.00 54.58 53.46 3f9k n ASN 117 Cb 0.18 -0.49 -0.05 0.00 -1.54 0.00 0.00 39.78 37.88 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 -0.84 0.34 7.41 0.00 -1.26 -4.66 105.19 107.01 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 2.18 1.77 -0.81 4.61 0.00 -1.94 0.49 119.26 125.56 3f9k h ALA 119 Ca -0.39 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3f9k h ALA 119 Cb 1.41 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 3f9k h ALA 119 CO 0.62 -0.36 0.42 -2.95 0.00 0.00 0.00 179.25 176.98 3f9k h ASN 120 N 0.48 1.04 0.83 0.00 -1.07 -1.87 -1.68 115.58 113.31 3f9k h ASN 120 Ca 0.66 -0.12 -0.15 0.00 0.07 0.00 0.00 56.30 56.76 3f9k h ASN 120 Cb 1.32 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 37.28 3f9k h ASN 120 CO -0.52 0.86 -0.70 -0.26 0.07 0.00 0.00 177.43 176.89 3f9k h PHE 121 N 1.14 0.00 -0.62 4.14 0.04 -1.24 -2.73 116.94 117.67 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 0.70 0.00 0.25 -0.60 0.00 0.00 178.31 178.66 3f9k n THR 122 N -3.58 1.42 -1.17 -1.55 -2.24 -0.89 -4.79 114.28 101.47 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 0.71 0.20 0.15 0.00 -2.10 0.00 0.00 70.33 69.29 3f9k n THR 122 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3f9k s SER 123 N -0.90 3.26 0.13 3.42 1.04 -0.64 -4.90 113.70 115.11 3f9k s SER 123 Ca 0.46 1.45 -0.06 0.00 0.48 0.00 0.00 55.95 58.29 3f9k s SER 123 Cb 0.28 -2.13 -0.07 0.00 0.10 0.00 0.00 66.02 64.20 3f9k s SER 123 CO 0.25 -2.77 1.33 -0.61 0.98 0.00 0.00 173.24 172.43 3f9k h GLN 124 N -1.64 0.51 -0.20 4.02 5.75 -1.88 -2.63 115.11 119.05 3f9k h GLN 124 Ca -0.50 -0.48 -0.14 0.00 -0.15 0.00 0.00 58.65 57.38 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 0.55 1.12 -0.45 1.49 -2.65 0.00 0.00 178.83 178.88 3f9k h GLU 125 N 0.32 0.51 -0.45 1.69 4.81 -1.93 -2.49 114.58 117.05 3f9k h GLU 125 Ca -0.07 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.81 3f9k h GLU 125 Cb 1.47 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 3f9k h GLU 125 CO 0.16 0.86 -0.04 0.28 -0.73 0.00 0.00 179.01 179.54 3f9k h VAL 126 N 0.41 1.27 -0.93 0.32 2.07 -1.77 -2.69 116.25 114.93 3f9k h VAL 126 Ca 0.03 -1.11 0.11 0.00 0.82 0.00 0.00 66.70 66.54 3f9k h VAL 126 Cb 0.96 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 3f9k h VAL 126 CO 0.08 0.38 0.60 0.50 0.02 0.00 0.00 177.57 179.15 3f9k h LYS 127 N 0.65 0.89 -0.04 1.57 3.64 -1.26 -0.26 116.57 121.77 3f9k h LYS 127 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3f9k h LYS 127 Cb 0.55 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3f9k h LYS 127 CO 0.03 0.59 -0.02 0.52 -2.27 0.00 0.00 179.45 178.29 3f9k h MET 128 N 0.91 0.08 -0.44 1.90 2.86 -1.32 -0.74 114.93 118.19 3f9k h MET 128 Ca 0.44 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.10 3f9k h MET 128 Cb 0.45 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 3f9k h MET 128 CO -0.20 0.51 0.14 0.28 1.06 0.00 0.00 176.91 178.69 3f9k h VAL 129 N -0.34 0.84 -0.70 -2.22 2.07 -1.17 0.27 116.25 114.99 3f9k h VAL 129 Ca 0.01 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3f9k h VAL 129 Cb 0.48 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3f9k h VAL 129 CO 0.01 0.05 0.41 0.00 0.02 0.00 0.00 177.57 178.06 3f9k h ALA 130 N 1.30 0.95 -0.44 1.67 0.00 -1.01 -1.11 119.26 120.61 3f9k h ALA 130 Ca 0.21 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3f9k h ALA 130 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3f9k h ALA 130 CO -0.22 0.10 0.05 2.35 0.00 0.00 0.00 179.25 181.53 3f9k h TRP 131 N 0.75 0.80 -0.26 0.00 7.01 -0.13 0.56 115.95 124.67 3f9k h TRP 131 Ca 0.31 -0.12 -0.07 0.00 2.11 0.00 0.00 58.89 61.12 3f9k h TRP 131 Cb 0.17 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 3f9k h TRP 131 CO -0.07 0.77 -0.10 2.35 -2.79 0.00 0.00 178.44 178.60 3f9k h TRP 132 N 0.60 0.60 -0.13 2.65 7.01 -0.04 -2.96 115.95 123.67 3f9k h TRP 132 Ca 0.13 -0.14 -0.17 0.00 2.11 0.00 0.00 58.89 60.82 3f9k h TRP 132 Cb 0.42 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.33 3f9k h TRP 132 CO 0.03 0.76 -0.65 0.82 -2.79 0.00 0.00 178.44 176.61 3f9k h ILE 133 N 0.26 1.35 -0.57 2.65 1.08 -1.28 -3.48 117.51 117.51 3f9k h ILE 133 Ca 0.06 -1.97 0.00 0.00 -0.39 0.00 0.00 64.86 62.56 3f9k h ILE 133 Cb 0.59 1.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 3f9k h ILE 133 CO 0.03 0.60 0.00 0.61 -0.69 0.00 0.00 178.15 178.70 3f9k n GLY 134 N 0.42 0.74 3.31 5.37 0.00 0.04 -5.10 105.19 109.97 3f9k n GLY 134 Ca -0.04 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.90 2.57 0.12 -0.61 1.01 0.17 -4.79 121.20 117.77 3f9k s ILE 135 Ca 0.00 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.56 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 0.73 -0.70 0.00 0.00 0.00 174.94 175.52 3f9k s GLU 136 N 0.20 4.48 0.02 2.79 2.12 0.04 -4.51 118.70 123.84 3f9k s GLU 136 Ca -0.11 1.05 0.04 0.00 0.36 0.00 0.00 54.97 56.30 3f9k s GLU 136 Cb -0.16 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 3f9k s GLU 136 CO 0.06 0.54 -0.06 -0.65 -0.54 0.00 0.00 175.26 174.61 3f9k s GLN 137 N -0.95 2.52 0.05 4.30 -0.21 -1.26 0.00 119.66 124.11 3f9k s GLN 137 Ca 0.35 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.98 3f9k s GLN 137 Cb -0.22 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.27 3f9k s GLN 137 CO 0.24 0.59 -0.06 -1.54 -2.12 0.00 0.00 175.29 172.40 3f9k s SER 138 N -1.58 0.78 0.04 5.90 1.04 -0.19 -4.95 113.70 114.73 3f9k s SER 138 Ca 0.18 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.91 3f9k s SER 138 Cb -0.11 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 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 -2.36 0.79 0.00 5.02 0.40 -1.26 -2.14 117.98 118.43 3f9k s PHE 139 Ca -0.03 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 3f9k s PHE 139 Cb -0.03 -0.47 0.00 0.00 0.51 0.00 0.00 43.02 43.03 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 1.77 1.70 3.68 4.36 0.00 -0.50 -4.79 105.19 111.41 3f9k n GLY 140 Ca -0.20 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.77 120.40 122.74 3f9k s VAL 141 Ca 0.00 0.88 -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 0.23 1.19 -2.84 0.00 0.00 0.00 175.10 173.69 3f9k s PRO 142 N 1.30 2.96 0.46 2.72 0.02 -1.26 -4.91 135.00 136.29 3f9k s PRO 142 Ca 0.23 1.77 0.11 0.00 0.02 0.00 0.00 61.00 63.14 3f9k s PRO 142 Cb -0.15 -1.93 1.03 0.00 0.02 0.00 0.00 34.50 33.47 3f9k s PRO 142 CO 0.09 -1.20 2.08 -0.92 -0.33 0.00 0.00 177.00 176.72 3f9k h TYR 143 N 0.81 0.24 -3.56 6.54 3.20 -1.96 -3.38 116.97 118.86 3f9k h TYR 143 Ca -0.50 0.00 -0.63 0.00 3.14 0.00 0.00 58.73 60.74 3f9k h TYR 143 Cb 1.29 -0.08 -0.13 0.00 1.54 0.00 0.00 36.73 39.35 3f9k h TYR 143 CO 0.48 0.18 0.14 1.21 -1.64 0.00 0.00 178.16 178.53 3f9k s ASN 144 N -6.89 6.43 0.08 -2.11 2.47 -1.26 -5.00 114.94 108.66 3f9k s ASN 144 Ca -0.06 0.15 -0.36 0.00 0.42 0.00 0.00 52.86 53.01 3f9k s ASN 144 Cb 0.17 -2.32 -0.17 0.00 -1.45 0.00 0.00 41.25 37.47 3f9k s ASN 144 CO 0.70 -0.58 1.57 -0.65 -3.72 0.00 0.00 177.10 174.42 3f9k h PRO 145 N 8.45 -0.99 -7.21 0.43 0.11 -2.00 -3.33 132.00 127.45 3f9k h PRO 145 Ca -0.26 0.07 -0.53 0.00 0.11 0.00 0.00 66.00 65.38 3f9k h PRO 145 Cb 1.11 0.23 0.19 0.00 0.11 0.00 0.00 31.00 32.63 3f9k h PRO 145 CO 0.83 -0.66 0.33 1.14 -0.21 0.00 0.00 178.00 179.43 3f9k s GLN 146 N -5.89 1.53 0.00 1.05 -2.07 -1.26 -2.12 119.66 110.90 3f9k s GLN 146 Ca -0.18 1.75 0.00 0.00 -1.82 0.00 0.00 55.36 55.11 3f9k s GLN 146 Cb 0.04 -1.76 0.00 0.00 -1.09 0.00 0.00 33.01 30.20 3f9k s GLN 146 CO 0.61 -2.29 0.00 0.45 -1.32 0.00 0.00 175.29 172.73 3f9k n SER 147 N -3.42 0.00 -4.63 12.60 2.88 -1.26 -5.01 113.62 114.78 3f9k n SER 147 Ca 0.13 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.27 3f9k n SER 147 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 3f9k n SER 147 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3f9k s GLN 148 N -0.19 4.10 0.00 -1.46 2.00 -0.90 -4.10 119.66 119.11 3f9k s GLN 148 Ca 0.00 0.44 0.00 0.00 -2.00 0.00 0.00 55.36 53.80 3f9k s GLN 148 Cb 0.00 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 30.17 3f9k s GLN 148 CO 0.00 -0.35 0.00 0.41 -0.50 0.00 0.00 175.29 174.85 3f9k n GLY 149 N 4.22 0.68 0.08 2.59 0.00 -1.26 -5.00 105.19 106.50 3f9k n GLY 149 Ca -0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 1.24 -0.61 1.61 2.07 -2.00 -1.76 116.25 116.81 3f9k h VAL 150 Ca 0.00 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.50 3f9k h VAL 150 Cb 0.00 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3f9k h VAL 150 CO 0.00 0.26 0.33 0.58 0.02 0.00 0.00 177.57 178.76 3f9k h VAL 151 N -0.56 0.97 -0.48 2.57 2.07 -1.91 0.86 116.25 119.77 3f9k h VAL 151 Ca -0.01 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3f9k h VAL 151 Cb 0.49 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3f9k h VAL 151 CO 0.01 0.11 0.31 -0.33 0.02 0.00 0.00 177.57 177.69 3f9k h GLU 152 N 0.62 0.60 -0.06 1.57 3.07 -1.97 0.38 114.58 118.79 3f9k h GLU 152 Ca 0.27 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.10 3f9k h GLU 152 Cb 0.16 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3f9k h GLU 152 CO -0.17 0.40 0.00 0.00 -1.40 0.00 0.00 179.01 177.84 3f9k h ALA 153 N 1.19 0.06 -0.84 3.43 0.00 -0.71 -2.55 119.26 119.84 3f9k h ALA 153 Ca 0.18 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.23 3f9k h ALA 153 Cb -0.05 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 3f9k h ALA 153 CO -0.05 -0.47 0.45 0.52 0.00 0.00 0.00 179.25 179.70 3f9k h MET 154 N 0.03 0.68 -0.85 0.00 2.86 -0.13 -1.23 114.93 116.29 3f9k h MET 154 Ca 0.03 -0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.83 3f9k h MET 154 Cb 0.03 -0.15 -0.12 0.00 0.06 0.00 0.00 31.60 31.42 3f9k h MET 154 CO -0.05 0.45 0.32 -0.91 1.06 0.00 0.00 176.91 177.78 3f9k h ASN 155 N 0.70 0.23 -0.07 1.22 2.35 0.17 0.20 115.58 120.38 3f9k h ASN 155 Ca 0.43 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 56.30 3f9k h ASN 155 Cb 0.52 0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 3f9k h ASN 155 CO -0.31 -0.01 -0.09 0.45 -1.65 0.00 0.00 177.43 175.83 3f9k h HIS 156 N 0.36 0.22 -0.77 1.19 3.86 -1.12 -2.20 115.15 116.70 3f9k h HIS 156 Ca 0.51 -0.07 0.09 0.00 -1.16 0.00 0.00 60.37 59.73 3f9k h HIS 156 Cb 0.93 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.29 3f9k h HIS 156 CO -0.18 0.65 0.43 0.45 0.86 0.00 0.00 177.93 180.14 3f9k h HIS 157 N -0.27 0.78 -0.39 2.45 3.86 -0.84 0.33 115.15 121.07 3f9k h HIS 157 Ca 0.01 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3f9k h HIS 157 Cb 0.62 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 3f9k h HIS 157 CO 0.10 0.33 0.16 1.25 0.86 0.00 0.00 177.93 180.63 3f9k h LEU 158 N 0.74 0.21 -0.58 2.43 5.85 -0.61 -0.68 115.31 122.67 3f9k h LEU 158 Ca 0.37 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 3f9k h LEU 158 Cb 0.32 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3f9k h LEU 158 CO -0.23 0.16 0.14 0.11 -0.34 0.00 0.00 178.44 178.27 3f9k h LYS 159 N 0.34 0.93 -0.98 1.25 1.57 -0.52 0.35 116.57 119.51 3f9k h LYS 159 Ca 0.17 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3f9k h LYS 159 Cb 0.12 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3f9k h LYS 159 CO -0.15 0.86 0.64 -0.91 -0.57 0.00 0.00 179.45 179.32 3f9k h ASN 160 N 0.83 1.05 -0.28 0.86 2.35 -0.15 0.81 115.58 121.06 3f9k h ASN 160 Ca 0.18 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 3f9k h ASN 160 Cb 0.36 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3f9k h ASN 160 CO 0.00 0.70 -0.10 -0.61 -1.65 0.00 0.00 177.43 175.77 3f9k h GLN 161 N 1.20 0.56 -0.98 0.81 5.75 -0.71 -2.38 115.11 119.37 3f9k h GLN 161 Ca 0.40 -0.23 0.15 0.00 -0.15 0.00 0.00 58.65 58.83 3f9k h GLN 161 Cb 0.06 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.49 3f9k h GLN 161 CO -0.14 0.78 0.59 0.82 -2.65 0.00 0.00 178.83 178.23 3f9k h ILE 162 N 0.31 0.80 -0.22 2.39 1.08 -0.44 -2.31 117.51 119.12 3f9k h ILE 162 Ca 0.07 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3f9k h ILE 162 Cb 0.59 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 3f9k h ILE 162 CO 0.03 0.15 0.14 -1.28 -0.69 0.00 0.00 178.15 176.50 3f9k h SER 163 N 0.84 0.26 0.40 1.72 0.87 -0.48 -0.85 113.55 116.31 3f9k h SER 163 Ca 0.52 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 3f9k h SER 163 Cb 0.68 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3f9k h SER 163 CO -0.33 0.22 -0.06 0.03 -0.53 0.00 0.00 176.83 176.16 3f9k h ARG 164 N 0.28 0.00 0.00 2.24 3.08 -0.92 -3.03 114.38 116.03 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3f9k h ARG 164 CO -0.02 0.06 -0.00 0.44 -1.07 0.00 0.00 179.97 179.39 3f9k n ILE 165 N -3.40 0.98 -0.31 2.04 -5.35 -1.10 -4.83 119.36 107.37 3f9k n ILE 165 Ca -0.02 -0.98 0.14 0.00 -0.27 0.00 0.00 62.75 61.63 3f9k n ILE 165 Cb 0.21 0.51 0.33 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 0.39 0.00 6.28 9.65 -1.03 -0.37 114.38 129.30 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 0.52 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3f9k h ARG 166 CO 0.00 0.26 0.00 0.39 2.80 0.00 0.00 179.97 183.42 3f9k n GLU 167 N -5.04 0.81 0.00 0.20 4.71 -1.26 -3.36 120.64 116.70 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 0.69 -1.48 0.34 0.00 -1.01 0.00 0.00 31.44 29.98 3f9k n GLU 167 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3f9k n GLN 168 N -0.98 0.41 -3.50 3.49 6.02 -0.15 -4.91 117.38 117.77 3f9k n GLN 168 Ca 0.19 -0.23 -0.16 0.00 -0.01 0.00 0.00 57.00 56.78 3f9k n GLN 168 Cb 0.09 -1.50 -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 -2.75 -1.70 -0.02 -1.58 0.00 -1.21 -5.08 121.76 109.41 3f9k s ALA 169 Ca 0.18 1.09 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 3f9k s ALA 169 Cb 0.18 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3f9k s ALA 169 CO 0.60 -0.46 0.18 -0.91 0.00 0.00 0.00 175.76 175.17 3f9k h ASN 170 N 2.78 -0.05 -4.12 0.00 2.35 -1.91 -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 54.92 3f9k h ASN 170 Cb 1.18 0.01 0.14 0.00 0.05 0.00 0.00 38.32 39.70 3f9k h ASN 170 CO 0.39 0.07 0.48 0.42 -1.65 0.00 0.00 177.43 177.14 3f9k s THR 171 N -1.57 2.33 0.14 2.81 -4.23 -1.26 -4.95 115.64 108.92 3f9k s THR 171 Ca -0.01 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 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 0.03 -0.05 1.32 0.40 -0.54 0.00 0.00 174.62 175.77 3f9k h ILE 172 N 0.54 1.45 -0.73 2.99 2.04 -1.98 -2.72 117.51 119.10 3f9k h ILE 172 Ca -0.50 -2.58 0.16 0.00 1.00 0.00 0.00 64.86 62.94 3f9k h ILE 172 Cb 1.31 2.49 -0.13 0.00 -0.74 0.00 0.00 36.82 39.76 3f9k h ILE 172 CO 0.53 0.76 0.02 -0.33 0.00 0.00 0.00 178.15 179.14 3f9k h GLU 173 N 0.16 0.12 0.04 2.37 3.07 -1.97 -1.16 114.58 117.20 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 1.58 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.46 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 0.12 1.35 -0.34 1.13 2.02 -1.95 -3.29 112.91 111.94 3f9k h THR 174 Ca 0.40 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 66.23 3f9k h THR 174 Cb 0.70 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 3f9k h THR 174 CO -0.63 0.34 0.23 -0.29 0.37 0.00 0.00 175.52 175.53 3f9k h ILE 175 N -0.66 1.09 0.43 3.11 6.09 -1.13 -2.19 117.51 124.25 3f9k h ILE 175 Ca -0.01 -0.16 -0.02 0.00 -1.37 0.00 0.00 64.86 63.30 3f9k h ILE 175 Cb 0.59 0.59 0.00 0.00 0.47 0.00 0.00 36.82 38.47 3f9k h ILE 175 CO 0.01 0.09 -0.21 0.58 -3.07 0.00 0.00 178.15 175.55 3f9k h VAL 176 N 0.46 0.57 -0.83 2.19 2.07 -1.33 -0.83 116.25 118.56 3f9k h VAL 176 Ca 0.13 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3f9k h VAL 176 Cb -0.05 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3f9k h VAL 176 CO -0.03 0.01 0.54 -0.07 0.02 0.00 0.00 177.57 178.05 3f9k h LEU 177 N -0.62 0.82 -0.50 2.57 3.38 -1.49 0.23 115.31 119.70 3f9k h LEU 177 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3f9k h LEU 177 Cb 0.47 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3f9k h LEU 177 CO 0.10 0.54 0.00 0.24 0.09 0.00 0.00 178.44 179.41 3f9k h MET 178 N 0.94 0.87 -0.72 1.13 2.86 -1.26 -2.39 114.93 116.36 3f9k h MET 178 Ca 0.35 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3f9k h MET 178 Cb 0.18 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3f9k h MET 178 CO -0.12 0.91 0.34 0.00 1.06 0.00 0.00 176.91 179.09 3f9k h ALA 179 N 0.93 0.94 -0.40 6.32 0.00 0.16 -2.40 119.26 124.82 3f9k h ALA 179 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3f9k h ALA 179 Cb 0.51 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3f9k h ALA 179 CO 0.02 0.51 0.23 0.28 0.00 0.00 0.00 179.25 180.30 3f9k h VAL 180 N 1.02 1.04 -0.59 0.00 2.07 -0.89 -1.55 116.25 117.35 3f9k h VAL 180 Ca 0.25 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.70 3f9k h VAL 180 Cb 0.14 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 3f9k h VAL 180 CO -0.03 0.09 0.18 -0.74 0.02 0.00 0.00 177.57 177.08 3f9k h HIS 181 N 0.47 0.30 -0.45 1.57 6.17 -1.14 -0.98 115.15 121.09 3f9k h HIS 181 Ca 0.16 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.28 3f9k h HIS 181 Cb 0.00 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 29.87 3f9k h HIS 181 CO -0.07 0.04 0.30 0.00 0.71 0.00 0.00 177.93 178.90 3f9k h MET 183 N 0.60 0.41 0.00 0.00 2.86 -0.59 0.15 114.93 118.36 3f9k h MET 183 Ca 0.17 -0.20 -0.21 0.00 -2.06 0.00 0.00 59.70 57.39 3f9k h MET 183 Cb -0.06 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3f9k h MET 183 CO -0.04 0.75 -1.17 -0.91 1.06 0.00 0.00 176.91 176.60 3f9k h ASN 184 N 0.34 0.00 0.00 1.22 2.35 -1.11 -3.38 115.58 115.00 3f9k h ASN 184 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3f9k h ASN 184 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 3f9k h ASN 184 CO 0.07 0.90 -1.00 0.49 -1.65 0.00 0.00 177.43 176.24 3f9k n PHE 185 N -3.21 0.00 0.22 1.19 3.72 -0.63 -1.98 117.46 116.76 3f9k n PHE 185 Ca -0.05 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.37 3f9k n PHE 185 Cb 0.93 -0.05 -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 -1.53 4.21 -3.25 -1.08 4.76 0.53 -4.91 118.16 116.89 3f9k n LYS 186 Ca -0.00 -0.18 -0.38 0.00 -2.87 0.00 0.00 58.31 54.87 3f9k n LYS 186 Cb 0.07 -0.80 -0.06 0.00 -1.84 0.00 0.00 35.03 32.40 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 -0.03 1.97 0.52 -1.17 -2.95 118.95 120.41 3f9k s ARG 187 Ca 0.03 0.52 0.04 0.00 -0.52 0.00 0.00 55.73 55.80 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 0.07 -0.15 0.50 0.02 0.00 0.00 175.30 175.90 3f9k s ARG 188 N 0.89 1.38 0.00 3.54 3.52 -1.26 -4.08 118.95 122.94 3f9k s ARG 188 Ca 0.28 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 3f9k s ARG 188 Cb -0.16 -1.27 0.00 0.00 -1.56 0.00 0.00 34.95 31.96 3f9k s ARG 188 CO 0.11 0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 3f9k n GLY 189 N 2.96 -0.59 7.00 8.12 0.00 -1.11 -4.53 105.19 117.04 3f9k n GLY 189 Ca -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3f9k n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f9k n GLY 190 N 0.00 -0.87 0.14 -0.02 0.00 -1.26 -1.38 105.19 101.80 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 0.83 -0.79 -0.61 6.09 -2.02 -3.12 117.51 117.89 3f9k h ILE 191 Ca 0.00 -0.14 -0.29 0.00 -1.37 0.00 0.00 64.86 63.06 3f9k h ILE 191 Cb 0.00 0.91 -0.17 0.00 0.47 0.00 0.00 36.82 38.03 3f9k h ILE 191 CO 0.00 0.03 0.36 0.61 -3.07 0.00 0.00 178.15 176.08 3f9k n GLY 192 N -1.02 3.94 4.14 8.18 0.00 -1.26 -4.94 105.19 114.22 3f9k n GLY 192 Ca -0.09 -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 -0.46 -3.13 -4.41 1.61 8.00 -1.17 -4.97 116.55 112.03 3f9k n ASP 193 Ca 0.46 -1.31 -0.20 0.00 0.71 0.00 0.00 54.79 54.44 3f9k n ASP 193 Cb 1.45 -1.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 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 -7.48 1.51 0.54 -1.24 0.23 -0.48 -4.55 119.30 107.83 3f9k s MET 194 Ca 0.40 -1.76 -0.13 0.00 -1.03 0.00 0.00 55.69 53.17 3f9k s MET 194 Cb -0.22 -1.09 -0.06 0.00 -1.53 0.00 0.00 34.83 31.92 3f9k s MET 194 CO 0.98 0.04 0.97 0.95 -2.03 0.00 0.00 175.02 175.93 3f9k s THR 195 N -3.05 4.64 0.25 3.16 -4.23 -1.26 -2.74 115.64 112.41 3f9k s THR 195 Ca 0.29 0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 61.76 3f9k s THR 195 Cb 0.04 -3.78 0.22 0.00 1.34 0.00 0.00 72.50 70.32 3f9k s THR 195 CO 0.11 -0.84 1.75 -0.65 -0.54 0.00 0.00 174.62 174.44 3f9k h PRO 196 N 0.48 0.51 -0.14 3.99 0.11 -1.74 0.22 132.00 135.44 3f9k h PRO 196 Ca -0.46 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3f9k h PRO 196 Cb 1.19 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3f9k h PRO 196 CO 0.62 0.34 -0.12 1.03 -0.21 0.00 0.00 178.00 179.66 3f9k h SER 197 N 0.53 -0.38 -0.42 -2.05 0.87 -1.74 0.16 113.55 110.53 3f9k h SER 197 Ca 0.43 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 61.10 3f9k h SER 197 Cb 0.63 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 3f9k h SER 197 CO -0.38 -0.16 0.21 -0.33 -0.53 0.00 0.00 176.83 175.64 3f9k h GLU 198 N -0.14 0.41 -0.51 2.24 5.08 -1.56 -0.94 114.58 119.17 3f9k h GLU 198 Ca 0.09 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3f9k h GLU 198 Cb 0.27 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3f9k h GLU 198 CO -0.22 0.27 0.33 -0.09 -1.00 0.00 0.00 179.01 178.30 3f9k h ARG 199 N 0.42 0.66 0.17 2.33 2.43 -0.53 0.13 114.38 119.99 3f9k h ARG 199 Ca 0.18 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3f9k h ARG 199 Cb 0.09 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3f9k h ARG 199 CO -0.13 0.44 -0.08 1.25 -1.51 0.00 0.00 179.97 179.94 3f9k h LEU 200 N 0.68 -0.19 -0.89 3.80 5.85 -0.71 -1.40 115.31 122.46 3f9k h LEU 200 Ca 0.19 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3f9k h LEU 200 Cb -0.07 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 3f9k h LEU 200 CO -0.04 0.05 0.54 0.40 -0.34 0.00 0.00 178.44 179.04 3f9k h ILE 201 N -0.43 0.97 -0.40 4.05 5.03 -1.03 -1.50 117.51 124.20 3f9k h ILE 201 Ca -0.02 -0.32 -0.09 0.00 -0.12 0.00 0.00 64.86 64.31 3f9k h ILE 201 Cb 0.33 -0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 34.07 3f9k h ILE 201 CO 0.04 0.17 -0.14 -1.13 -0.68 0.00 0.00 178.15 176.41 3f9k h ASN 202 N 0.92 0.71 -0.45 1.72 -1.24 -0.61 -2.30 115.58 114.34 3f9k h ASN 202 Ca 0.41 -0.22 -0.11 0.00 0.71 0.00 0.00 56.30 57.09 3f9k h ASN 202 Cb 0.31 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 3f9k h ASN 202 CO -0.22 0.87 -0.15 0.24 -1.29 0.00 0.00 177.43 176.87 3f9k h MET 203 N 0.65 0.90 -0.88 6.67 2.86 -0.58 -2.74 114.93 121.82 3f9k h MET 203 Ca 0.11 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3f9k h MET 203 Cb 0.60 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 3f9k h MET 203 CO 0.04 1.02 0.49 0.82 1.06 0.00 0.00 176.91 180.34 3f9k h ILE 204 N 0.74 1.25 -0.40 -1.22 2.04 -1.09 -2.94 117.51 115.89 3f9k h ILE 204 Ca 0.11 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.24 3f9k h ILE 204 Cb 0.71 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3f9k h ILE 204 CO 0.05 0.28 -0.24 0.74 0.00 0.00 0.00 178.15 178.98 3f9k h THR 205 N 1.22 1.27 -0.03 -0.27 2.02 -1.32 -3.52 112.91 112.29 3f9k h THR 205 Ca 0.31 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3f9k h THR 205 Cb 0.01 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3f9k h THR 205 CO -0.05 0.46 0.00 0.35 0.37 0.00 0.00 175.52 176.65