#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7m h PRO 2 N 0.00 -0.15 0.00 4.33 0.13 -2.11 -3.46 132.00 130.74 1a7m h PRO 2 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1a7m h PRO 2 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1a7m h PRO 2 CO 0.00 -0.10 0.00 -0.11 -0.23 0.00 0.00 178.00 177.56 1a7m n LEU 3 N -5.42 0.00 -4.79 1.56 7.94 -1.26 -5.13 117.00 109.90 1a7m n LEU 3 Ca 0.04 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.64 1a7m n LEU 3 Cb 0.36 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.50 1a7m n LEU 3 CO -0.03 0.00 0.76 -2.16 -1.11 0.00 0.00 177.39 174.85 1a7m s PRO 4 N -1.53 0.13 -0.09 1.96 0.04 -1.26 -5.06 135.00 129.18 1a7m s PRO 4 Ca 0.00 -0.17 0.04 0.00 0.04 0.00 0.00 61.00 60.91 1a7m s PRO 4 Cb 0.00 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 1a7m s PRO 4 CO 0.00 -2.80 -0.21 0.96 0.04 0.00 0.00 177.00 174.99 1a7m s ILE 5 N -3.49 2.35 -0.02 0.56 -4.36 -1.26 -5.11 121.20 109.88 1a7m s ILE 5 Ca 0.71 -0.93 0.03 0.00 -0.26 0.00 0.00 60.65 60.20 1a7m s ILE 5 Cb -0.08 -1.91 -0.00 0.00 1.25 0.00 0.00 42.46 41.72 1a7m s ILE 5 CO 0.54 0.56 -0.09 -0.89 0.24 0.00 0.00 174.94 175.29 1a7m s THR 6 N 0.15 0.79 -0.12 8.37 2.01 -1.26 -5.07 115.64 120.51 1a7m s THR 6 Ca -0.11 -0.39 -0.18 0.00 0.31 0.00 0.00 61.69 61.32 1a7m s THR 6 Cb -0.16 -0.69 -0.16 0.00 0.01 0.00 0.00 72.50 71.49 1a7m s THR 6 CO 0.06 0.24 0.49 1.55 -0.69 0.00 0.00 174.62 176.28 1a7m h PRO 7 N 6.22 -0.00 0.00 4.92 0.13 -2.00 -3.47 132.00 137.80 1a7m h PRO 7 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1a7m h PRO 7 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1a7m h PRO 7 CO 0.49 0.63 0.00 1.55 -0.23 0.00 0.00 178.00 180.43 1a7m n VAL 8 N -4.68 0.00 0.00 1.56 3.14 -1.26 -5.06 118.33 112.03 1a7m n VAL 8 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1a7m n VAL 8 Cb 0.30 -0.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 1a7m n VAL 8 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1a7m n ASN 9 N -3.42 0.00 0.00 6.55 3.02 -1.26 -4.98 115.26 115.17 1a7m n ASN 9 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1a7m n ASN 9 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1a7m n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a7m n ALA 10 N -2.14 1.56 -0.46 5.41 0.00 -1.26 -4.20 120.51 119.43 1a7m n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a7m n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a7m n ALA 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1a7m n THR 11 N -0.56 0.01 0.18 0.00 -1.04 -1.26 -4.25 114.28 107.36 1a7m n THR 11 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1a7m n THR 11 Cb 0.00 1.45 0.00 0.00 -1.82 0.00 0.00 70.33 69.96 1a7m n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a7m n ALA 13 N -1.05 0.82 -1.17 0.00 0.00 -1.26 -4.07 120.51 113.78 1a7m n ALA 13 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 53.44 52.85 1a7m n ALA 13 Cb 0.55 -0.59 0.25 0.00 0.00 0.00 0.00 19.45 19.66 1a7m n ALA 13 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1a7m n ILE 14 N -4.14 2.81 0.14 0.00 -0.00 0.40 -3.54 119.36 115.03 1a7m n ILE 14 Ca -0.32 -2.00 0.10 0.00 -0.00 0.00 0.00 62.75 60.53 1a7m n ILE 14 Cb 0.80 -0.36 -0.15 0.00 -0.00 0.00 0.00 39.64 39.93 1a7m n ILE 14 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1a7m n ARG 15 N -0.65 0.58 -2.21 0.38 0.00 0.15 -4.47 116.66 110.45 1a7m n ARG 15 Ca 0.40 -0.16 -0.30 0.00 -0.00 0.00 0.00 57.85 57.79 1a7m n ARG 15 Cb 1.29 -1.49 0.02 0.00 0.00 0.00 0.00 32.46 32.28 1a7m n ARG 15 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1a7m n HIS 16 N -2.11 3.20 -0.11 -0.14 -0.00 -1.23 -4.15 115.22 110.68 1a7m n HIS 16 Ca -0.03 -2.79 -0.17 0.00 0.46 0.00 0.00 57.72 55.19 1a7m n HIS 16 Cb 0.51 -0.43 -0.13 0.00 -0.12 0.00 0.00 29.99 29.81 1a7m n HIS 16 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1a7m n PRO 17 N -0.56 0.67 -2.61 1.57 -0.04 -1.26 -5.02 135.00 127.74 1a7m n PRO 17 Ca 0.44 0.14 -0.34 0.00 -0.04 0.00 0.00 63.50 63.71 1a7m n PRO 17 Cb 0.63 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1a7m n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a7m n HIS 19 N -0.78 -0.57 0.00 0.00 8.25 -1.26 -5.03 115.22 115.84 1a7m n HIS 19 Ca 0.08 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1a7m n HIS 19 Cb 0.52 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1a7m n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a7m n GLY 20 N -0.06 0.68 1.56 -1.41 0.00 -1.26 -4.46 105.19 100.24 1a7m n GLY 20 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1a7m n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a7m n ASN 21 N 1.84 0.16 0.00 1.61 5.03 -1.26 -5.04 115.26 117.60 1a7m n ASN 21 Ca 0.00 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1a7m n ASN 21 Cb 0.00 0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 1a7m n ASN 21 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1a7m n LEU 22 N -3.03 0.00 -0.26 3.41 7.94 -1.26 -4.48 117.00 119.32 1a7m n LEU 22 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1a7m n LEU 22 Cb 0.14 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.11 1a7m n LEU 22 CO 0.00 0.00 0.39 0.80 -1.11 0.00 0.00 177.39 177.47 1a7m n MET 23 N 0.00 -0.17 -0.03 1.96 1.56 -1.26 0.83 117.12 120.00 1a7m n MET 23 Ca 0.00 1.04 0.12 0.00 -0.27 0.00 0.00 57.70 58.60 1a7m n MET 23 Cb 0.00 -1.55 0.29 0.00 2.15 0.00 0.00 33.22 34.11 1a7m n MET 23 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1a7m n ASN 24 N -4.99 2.41 0.06 6.12 0.23 -1.26 -4.14 115.26 113.69 1a7m n ASN 24 Ca 0.07 -1.80 -0.08 0.00 -0.53 0.00 0.00 54.58 52.24 1a7m n ASN 24 Cb 0.27 -0.05 -0.05 0.00 -2.08 0.00 0.00 39.78 37.87 1a7m n ASN 24 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1a7m h GLN 25 N 3.61 -0.25 -0.95 -3.83 5.75 0.09 -2.79 115.11 116.74 1a7m h GLN 25 Ca 0.00 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.69 1a7m h GLN 25 Cb 0.77 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.30 1a7m h GLN 25 CO 0.00 0.04 0.60 -0.84 -2.65 0.00 0.00 178.83 175.98 1a7m h ILE 26 N -1.00 0.75 -0.52 2.39 3.07 -1.62 0.28 117.51 120.86 1a7m h ILE 26 Ca -0.03 -0.23 0.02 0.00 1.55 0.00 0.00 64.86 66.17 1a7m h ILE 26 Cb 0.40 0.03 -0.03 0.00 -0.27 0.00 0.00 36.82 36.95 1a7m h ILE 26 CO 0.04 0.12 0.33 0.50 -1.05 0.00 0.00 178.15 178.09 1a7m h LYS 27 N 0.66 0.64 0.13 0.16 3.64 -1.71 0.13 116.57 120.22 1a7m h LYS 27 Ca 0.51 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.65 1a7m h LYS 27 Cb 0.90 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1a7m h LYS 27 CO -0.26 0.43 -0.87 -0.91 -2.27 0.00 0.00 179.45 175.57 1a7m h ASN 28 N 0.66 0.53 0.47 4.20 2.35 -0.77 -2.48 115.58 120.55 1a7m h ASN 28 Ca 0.20 -0.92 -0.09 0.00 -0.55 0.00 0.00 56.30 54.95 1a7m h ASN 28 Cb -0.02 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1a7m h ASN 28 CO -0.07 1.41 -0.41 1.56 -1.65 0.00 0.00 177.43 178.27 1a7m h GLN 29 N -0.26 0.00 0.00 0.81 4.20 -0.50 -3.03 115.11 116.34 1a7m h GLN 29 Ca -0.15 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.30 1a7m h GLN 29 Cb 1.66 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.46 1a7m h GLN 29 CO 0.16 0.41 -1.04 1.25 -0.67 0.00 0.00 178.83 178.94 1a7m h LEU 30 N 0.00 0.85 -0.65 1.46 5.85 -0.82 -3.23 115.31 118.77 1a7m h LEU 30 Ca -0.00 -0.69 0.13 0.00 0.84 0.00 0.00 57.88 58.16 1a7m h LEU 30 Cb 0.75 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1a7m h LEU 30 CO 0.05 1.49 0.16 0.00 -0.34 0.00 0.00 178.44 179.80 1a7m h ALA 31 N 0.46 0.81 -0.20 1.25 0.00 -1.32 0.84 119.26 121.09 1a7m h ALA 31 Ca -0.12 0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1a7m h ALA 31 Cb 1.69 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1a7m h ALA 31 CO 0.20 -0.30 0.52 0.37 0.00 0.00 0.00 179.25 180.04 1a7m h GLN 32 N 0.28 0.00 0.00 0.00 4.15 -1.55 0.11 115.11 118.10 1a7m h GLN 32 Ca 0.35 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.41 1a7m h GLN 32 Cb 0.55 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.17 1a7m h GLN 32 CO -0.44 0.00 -2.37 1.28 -1.93 0.00 0.00 178.83 175.37 1a7m n LEU 33 N -3.10 2.88 -0.17 -2.39 4.77 0.25 -3.97 117.00 115.28 1a7m n LEU 33 Ca 0.03 -0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 55.88 1a7m n LEU 33 Cb 0.62 -0.83 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1a7m n LEU 33 CO 0.16 0.87 0.70 -1.13 -1.33 0.00 0.00 177.39 176.67 1a7m h ASN 34 N -0.08 -0.77 -0.95 -1.43 -1.24 0.21 1.07 115.58 112.38 1a7m h ASN 34 Ca -0.55 0.19 0.26 0.00 0.71 0.00 0.00 56.30 56.91 1a7m h ASN 34 Cb 1.81 0.43 -0.13 0.00 0.73 0.00 0.00 38.32 41.16 1a7m h ASN 34 CO -0.11 -0.25 0.48 1.23 -1.29 0.00 0.00 177.43 177.49 1a7m h GLY 35 N -0.09 1.77 2.00 1.57 0.00 -1.41 0.55 103.07 107.46 1a7m h GLY 35 Ca 0.25 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 1a7m h GLY 35 CO -0.60 -0.33 -0.65 1.48 0.00 0.00 0.00 176.54 176.44 1a7m h SER 36 N 0.41 0.00 -0.87 0.19 4.64 0.68 0.10 113.55 118.71 1a7m h SER 36 Ca 0.63 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 62.13 1a7m h SER 36 Cb 1.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 1a7m h SER 36 CO -0.55 0.65 0.57 0.00 -0.87 0.00 0.00 176.83 176.64 1a7m h ALA 37 N 1.35 2.11 0.00 5.18 0.00 0.58 2.30 119.26 130.78 1a7m h ALA 37 Ca -0.01 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1a7m h ALA 37 Cb 1.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1a7m h ALA 37 CO 0.09 -0.38 -1.08 -1.71 0.00 0.00 0.00 179.25 176.16 1a7m n ASN 38 N -4.52 1.85 0.27 0.00 4.05 -1.00 -3.71 115.26 112.20 1a7m n ASN 38 Ca 0.18 0.49 -0.11 0.00 0.45 0.00 0.00 54.58 55.59 1a7m n ASN 38 Cb 0.62 -0.91 -0.05 0.00 1.23 0.00 0.00 39.78 40.67 1a7m n ASN 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a7m h ALA 39 N -0.73 -0.79 -0.12 5.20 0.00 0.17 -2.08 119.26 120.90 1a7m h ALA 39 Ca -0.24 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1a7m h ALA 39 Cb 1.03 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 1a7m h ALA 39 CO -0.14 -0.74 -0.44 1.25 0.00 0.00 0.00 179.25 179.17 1a7m h LEU 40 N -1.06 -1.38 -0.84 0.00 7.12 0.36 0.24 115.31 119.74 1a7m h LEU 40 Ca -0.07 0.18 0.08 0.00 0.13 0.00 0.00 57.88 58.19 1a7m h LEU 40 Cb 0.55 0.56 -0.10 0.00 -0.53 0.00 0.00 40.66 41.13 1a7m h LEU 40 CO 0.12 -0.44 -0.50 0.33 -0.13 0.00 0.00 178.44 177.82 1a7m n PHE 41 N -5.44 -0.37 -0.30 1.25 7.35 -0.25 0.16 117.46 119.86 1a7m n PHE 41 Ca -0.04 1.05 -0.05 0.00 -0.76 0.00 0.00 57.45 57.65 1a7m n PHE 41 Cb 0.37 -0.56 0.07 0.00 0.35 0.00 0.00 39.48 39.70 1a7m n PHE 41 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1a7m h ILE 42 N 0.00 1.23 0.00 -2.13 5.03 -0.58 0.79 117.51 121.85 1a7m h ILE 42 Ca 0.13 -0.56 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 1a7m h ILE 42 Cb 0.35 0.14 0.00 0.00 -3.03 0.00 0.00 36.82 34.28 1a7m h ILE 42 CO -0.79 0.26 0.00 -0.24 -0.68 0.00 0.00 178.15 176.69 1a7m n SER 43 N -4.43 0.33 -0.03 1.72 2.88 0.75 -2.43 113.62 112.41 1a7m n SER 43 Ca 0.08 0.57 -0.02 0.00 -1.33 0.00 0.00 58.87 58.16 1a7m n SER 43 Cb 0.08 -0.64 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 1a7m n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a7m n TYR 44 N -1.85 0.35 0.23 0.66 4.19 0.43 -4.34 117.16 116.82 1a7m n TYR 44 Ca 0.04 0.15 0.18 0.00 3.31 0.00 0.00 57.90 61.58 1a7m n TYR 44 Cb 0.25 -0.44 0.86 0.00 0.49 0.00 0.00 39.34 40.50 1a7m n TYR 44 CO 0.00 0.00 0.00 0.10 0.91 0.00 0.00 176.86 177.87 1a7m h TYR 45 N -0.44 0.00 -0.25 2.98 -0.00 -0.97 0.27 116.97 118.56 1a7m h TYR 45 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.68 1a7m h TYR 45 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.97 1a7m h TYR 45 CO -0.11 0.00 -0.04 1.79 -0.00 0.00 0.00 178.16 179.80 1a7m h THR 46 N 0.00 1.18 0.00 -0.90 1.35 -1.69 -1.17 112.91 111.69 1a7m h THR 46 Ca 0.08 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1a7m h THR 46 Cb 0.57 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1a7m h THR 46 CO -0.00 0.24 0.00 0.00 -0.25 0.00 0.00 175.52 175.51 1a7m n ALA 47 N -2.48 2.13 0.11 6.62 0.00 0.95 -2.34 120.51 125.49 1a7m n ALA 47 Ca 0.01 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.41 1a7m n ALA 47 Cb 0.24 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.35 1a7m n ALA 47 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1a7m h GLN 48 N 0.00 0.00 0.00 0.00 7.50 -1.28 -3.41 115.11 117.92 1a7m h GLN 48 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1a7m h GLN 48 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.73 1a7m h GLN 48 CO 0.00 0.16 0.00 0.41 -1.50 0.00 0.00 178.83 177.90 1a7m n GLY 49 N 1.24 1.01 3.27 3.46 0.00 -0.99 -4.94 105.19 108.24 1a7m n GLY 49 Ca -0.02 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1a7m n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a7m s GLU 50 N 0.00 1.35 -1.14 1.61 -1.05 -1.26 -4.22 118.70 113.99 1a7m s GLU 50 Ca 0.00 -1.65 -0.18 0.00 -0.15 0.00 0.00 54.97 52.99 1a7m s GLU 50 Cb 0.00 0.31 0.11 0.00 -0.44 0.00 0.00 34.13 34.11 1a7m s GLU 50 CO 0.00 -0.48 1.45 -1.25 0.95 0.00 0.00 175.26 175.94 1a7m s PRO 51 N -3.99 3.87 0.03 -4.83 0.04 -1.26 -5.03 135.00 123.83 1a7m s PRO 51 Ca 0.37 -1.98 0.00 0.00 0.04 0.00 0.00 61.00 59.43 1a7m s PRO 51 Cb 0.05 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.37 1a7m s PRO 51 CO 0.14 -1.98 0.00 1.19 0.04 0.00 0.00 177.00 176.39 1a7m n PHE 52 N 7.19 -0.06 -0.44 0.56 3.01 -1.26 -4.10 117.46 122.36 1a7m n PHE 52 Ca 0.37 0.01 0.40 0.00 1.01 0.00 0.00 57.45 59.23 1a7m n PHE 52 Cb 0.47 0.04 0.63 0.00 -0.01 0.00 0.00 39.48 40.61 1a7m n PHE 52 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a7m h PRO 53 N 0.00 0.00 0.00 -1.08 0.13 -1.87 1.14 132.00 130.33 1a7m h PRO 53 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a7m h PRO 53 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a7m h PRO 53 CO 0.00 0.00 -1.32 -1.71 -0.23 0.00 0.00 178.00 174.74 1a7m n ASN 54 N -3.59 2.46 -0.12 1.44 4.05 -1.26 -4.71 115.26 113.53 1a7m n ASN 54 Ca 0.33 -0.09 0.04 0.00 0.45 0.00 0.00 54.58 55.31 1a7m n ASN 54 Cb 1.74 1.39 0.06 0.00 1.23 0.00 0.00 39.78 44.20 1a7m n ASN 54 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1a7m n ASN 55 N -1.76 1.56 -0.13 1.20 3.02 0.24 -4.70 115.26 114.69 1a7m n ASN 55 Ca -0.01 -2.34 0.06 0.00 -0.03 0.00 0.00 54.58 52.25 1a7m n ASN 55 Cb 0.24 -0.22 0.38 0.00 -0.61 0.00 0.00 39.78 39.57 1a7m n ASN 55 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1a7m h LEU 56 N 0.00 0.60 -2.60 3.41 8.10 0.72 0.30 115.31 125.84 1a7m h LEU 56 Ca 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1a7m h LEU 56 Cb 0.93 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 41.02 1a7m h LEU 56 CO 0.00 0.40 -0.01 0.44 -4.11 0.00 0.00 178.44 175.16 1a7m h ASP 57 N 0.69 0.00 0.00 0.17 3.32 -1.83 1.05 116.42 119.82 1a7m h ASP 57 Ca 0.26 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1a7m h ASP 57 Cb 0.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1a7m h ASP 57 CO -0.08 0.01 -1.63 1.17 -1.72 0.00 0.00 179.24 177.00 1a7m n LYS 58 N -3.35 1.13 -0.00 3.56 4.81 0.63 -4.44 118.16 120.50 1a7m n LYS 58 Ca -0.03 -0.07 0.06 0.00 -0.87 0.00 0.00 58.31 57.40 1a7m n LYS 58 Cb 0.11 -1.28 -0.08 0.00 0.02 0.00 0.00 35.03 33.80 1a7m n LYS 58 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1a7m n LEU 59 N -2.12 0.03 -2.51 3.14 4.32 0.72 -4.77 117.00 115.81 1a7m n LEU 59 Ca -0.09 -0.03 -0.14 0.00 -0.02 0.00 0.00 56.01 55.73 1a7m n LEU 59 Cb 0.54 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.37 1a7m n LEU 59 CO 0.24 0.01 0.06 0.00 -1.22 0.00 0.00 177.39 176.48 1a7m n GLY 61 N -0.46 1.32 3.42 0.00 0.00 -1.08 -3.59 105.19 104.79 1a7m n GLY 61 Ca 0.24 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1a7m n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a7m s PRO 62 N -0.96 -1.96 0.20 1.61 0.04 -1.26 -4.72 135.00 127.95 1a7m s PRO 62 Ca 0.19 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1a7m s PRO 62 Cb 0.29 -1.47 0.00 0.00 0.04 0.00 0.00 34.50 33.36 1a7m s PRO 62 CO -0.09 -4.28 0.00 0.27 0.04 0.00 0.00 177.00 172.94 1a7m n ASN 63 N -5.24 0.43 -3.29 6.66 0.23 -1.26 -3.20 115.26 109.60 1a7m n ASN 63 Ca 0.09 0.33 -0.25 0.00 -0.53 0.00 0.00 54.58 54.22 1a7m n ASN 63 Cb 0.58 0.06 -0.08 0.00 -2.08 0.00 0.00 39.78 38.27 1a7m n ASN 63 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1a7m n VAL 64 N -3.50 -0.01 0.00 3.53 0.31 -1.26 -4.83 118.33 112.58 1a7m n VAL 64 Ca 0.00 -4.23 0.00 0.00 -0.01 0.00 0.00 64.34 60.10 1a7m n VAL 64 Cb 0.00 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 30.97 1a7m n VAL 64 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1a7m n THR 65 N 1.49 0.00 -1.17 2.52 5.66 -1.26 -4.87 114.28 116.65 1a7m n THR 65 Ca 0.24 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.97 1a7m n THR 65 Cb 0.49 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.40 1a7m n THR 65 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1a7m n ASP 66 N 0.00 5.25 -4.95 1.09 2.03 -1.26 -4.92 116.55 113.79 1a7m n ASP 66 Ca 0.00 -3.59 -0.21 0.00 0.52 0.00 0.00 54.79 51.51 1a7m n ASP 66 Cb 0.00 -0.89 -0.02 0.00 -0.72 0.00 0.00 41.12 39.49 1a7m n ASP 66 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1a7m s PHE 67 N -3.30 3.41 -0.38 -0.67 -0.71 -1.26 -4.99 117.98 110.08 1a7m s PHE 67 Ca 0.57 -0.03 -0.30 0.00 -1.04 0.00 0.00 56.93 56.12 1a7m s PHE 67 Cb 0.46 -1.55 -0.09 0.00 -1.21 0.00 0.00 43.02 40.63 1a7m s PHE 67 CO 0.06 0.45 2.29 -0.35 -1.34 0.00 0.00 175.22 176.33 1a7m n PRO 68 N -1.37 1.31 -1.47 1.99 -0.04 -1.26 -4.78 135.00 129.38 1a7m n PRO 68 Ca -0.09 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 1a7m n PRO 68 Cb 0.57 -2.92 -0.02 0.00 -0.04 0.00 0.00 33.50 31.10 1a7m n PRO 68 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1a7m n PRO 69 N 8.62 3.09 -0.93 0.54 -0.04 -1.26 -4.77 135.00 140.25 1a7m n PRO 69 Ca 0.38 -2.33 -0.43 0.00 -0.04 0.00 0.00 63.50 61.08 1a7m n PRO 69 Cb 0.37 -3.02 -0.08 0.00 -0.04 0.00 0.00 33.50 30.73 1a7m n PRO 69 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1a7m n PHE 70 N 5.04 0.87 -3.65 0.54 -0.00 -1.26 -4.87 117.46 114.12 1a7m n PHE 70 Ca 0.63 0.58 -0.28 0.00 -0.00 0.00 0.00 57.45 58.38 1a7m n PHE 70 Cb 0.31 -1.62 -0.11 0.00 -0.00 0.00 0.00 39.48 38.06 1a7m n PHE 70 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1a7m s HIS 71 N 4.01 2.30 -0.07 -5.13 2.46 -1.26 -5.02 115.29 112.57 1a7m s HIS 71 Ca 0.84 -2.80 -0.01 0.00 0.47 0.00 0.00 55.06 53.56 1a7m s HIS 71 Cb -1.07 -1.81 -0.03 0.00 -0.13 0.00 0.00 32.58 29.55 1a7m s HIS 71 CO 0.48 -0.69 0.71 0.00 -2.47 0.00 0.00 174.74 172.77 1a7m n ALA 72 N 2.49 0.36 -2.15 1.58 0.00 -1.26 -4.65 120.51 116.88 1a7m n ALA 72 Ca 0.24 -0.61 -0.39 0.00 0.00 0.00 0.00 53.44 52.68 1a7m n ALA 72 Cb 0.41 -0.45 0.02 0.00 0.00 0.00 0.00 19.45 19.43 1a7m n ALA 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1a7m n ASN 73 N 2.87 7.43 -3.77 0.00 5.15 -1.26 -4.75 115.26 120.92 1a7m n ASN 73 Ca 0.05 -3.71 -0.28 0.00 -0.60 0.00 0.00 54.58 50.04 1a7m n ASN 73 Cb 0.28 -1.13 -0.06 0.00 -0.53 0.00 0.00 39.78 38.34 1a7m n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1a7m n GLY 74 N -0.17 -0.21 3.23 8.20 0.00 -1.26 -4.88 105.19 110.09 1a7m n GLY 74 Ca 0.52 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 46.29 1a7m n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a7m s THR 75 N -3.18 2.33 0.03 2.61 -4.23 -1.26 -5.02 115.64 106.93 1a7m s THR 75 Ca 0.38 -0.89 -0.18 0.00 -1.18 0.00 0.00 61.69 59.81 1a7m s THR 75 Cb -0.22 -1.95 -0.10 0.00 1.34 0.00 0.00 72.50 71.57 1a7m s THR 75 CO 0.75 0.54 1.23 -0.08 -0.54 0.00 0.00 174.62 176.52 1a7m h GLU 76 N 7.16 -0.64 -0.88 3.99 4.57 -1.98 0.20 114.58 127.00 1a7m h GLU 76 Ca -0.29 0.04 0.23 0.00 -1.18 0.00 0.00 59.36 58.16 1a7m h GLU 76 Cb 1.20 0.14 -0.16 0.00 -0.16 0.00 0.00 28.75 29.78 1a7m h GLU 76 CO 0.54 -0.42 0.06 -0.22 -1.18 0.00 0.00 179.01 177.79 1a7m h LYS 77 N -0.68 0.08 0.06 1.92 3.64 -1.96 0.45 116.57 120.08 1a7m h LYS 77 Ca -0.07 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1a7m h LYS 77 Cb 0.51 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1a7m h LYS 77 CO 0.11 0.05 -0.03 0.00 -2.27 0.00 0.00 179.45 177.32 1a7m h ALA 78 N 1.84 -0.07 -0.96 5.00 0.00 -1.85 0.62 119.26 123.84 1a7m h ALA 78 Ca 0.52 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.51 1a7m h ALA 78 Cb 1.02 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1a7m h ALA 78 CO -0.78 -0.52 0.61 0.87 0.00 0.00 0.00 179.25 179.43 1a7m h LYS 79 N -0.12 0.90 0.00 0.00 1.57 0.29 0.46 116.57 119.68 1a7m h LYS 79 Ca -0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1a7m h LYS 79 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1a7m h LYS 79 CO 0.01 0.59 -0.36 -0.07 -0.57 0.00 0.00 179.45 179.06 1a7m h LEU 80 N 0.93 0.00 -0.55 2.94 4.07 -0.29 -2.24 115.31 120.16 1a7m h LEU 80 Ca 0.47 -0.64 0.06 0.00 0.08 0.00 0.00 57.88 57.85 1a7m h LEU 80 Cb 0.50 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.19 1a7m h LEU 80 CO -0.23 1.03 0.25 0.58 -1.08 0.00 0.00 178.44 178.99 1a7m h VAL 81 N -1.00 0.88 -0.30 1.22 2.07 0.42 0.14 116.25 119.68 1a7m h VAL 81 Ca -0.09 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1a7m h VAL 81 Cb 0.89 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1a7m h VAL 81 CO -0.05 0.09 -0.15 -0.33 0.02 0.00 0.00 177.57 177.14 1a7m h GLU 82 N 0.47 0.63 0.09 1.57 5.08 -0.23 0.59 114.58 122.78 1a7m h GLU 82 Ca 0.26 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1a7m h GLU 82 Cb 0.23 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1a7m h GLU 82 CO -0.22 0.86 -0.38 1.25 -1.00 0.00 0.00 179.01 179.53 1a7m h LEU 83 N 0.39 -1.14 0.00 1.33 5.85 -0.76 0.65 115.31 121.63 1a7m h LEU 83 Ca 0.07 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1a7m h LEU 83 Cb 0.68 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1a7m h LEU 83 CO 0.05 -0.40 0.00 0.00 -0.34 0.00 0.00 178.44 177.75 1a7m n TYR 84 N -4.60 0.00 -0.44 1.25 4.19 0.43 0.11 117.16 118.10 1a7m n TYR 84 Ca -0.06 0.00 0.37 0.00 3.31 0.00 0.00 57.90 61.52 1a7m n TYR 84 Cb 0.29 -0.12 0.61 0.00 0.49 0.00 0.00 39.34 40.62 1a7m n TYR 84 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1a7m n ARG 85 N -1.21 -0.03 0.08 2.98 0.63 0.21 0.21 116.66 119.53 1a7m n ARG 85 Ca 0.00 1.08 -0.10 0.00 -0.92 0.00 0.00 57.85 57.92 1a7m n ARG 85 Cb 0.00 -2.18 -0.06 0.00 0.45 0.00 0.00 32.46 30.67 1a7m n ARG 85 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1a7m h MET 86 N 0.00 0.18 0.00 -0.14 4.05 0.24 -2.08 114.93 117.18 1a7m h MET 86 Ca 0.78 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.97 1a7m h MET 86 Cb 2.61 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 33.49 1a7m h MET 86 CO -0.36 1.02 -0.14 0.28 0.23 0.00 0.00 176.91 177.95 1a7m h VAL 87 N 0.08 0.00 -0.69 -5.77 2.07 0.89 -2.57 116.25 110.26 1a7m h VAL 87 Ca -0.06 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.22 1a7m h VAL 87 Cb 1.66 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.31 1a7m h VAL 87 CO 0.15 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.53 1a7m n ALA 88 N -2.63 0.06 -0.03 1.67 0.00 0.57 0.20 120.51 120.35 1a7m n ALA 88 Ca -0.02 0.73 -0.14 0.00 0.00 0.00 0.00 53.44 54.00 1a7m n ALA 88 Cb 0.07 -0.39 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 1a7m n ALA 88 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1a7m h TYR 89 N 0.00 0.15 0.66 0.00 -0.00 -1.52 -2.66 116.97 113.60 1a7m h TYR 89 Ca 0.29 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.73 58.92 1a7m h TYR 89 Cb 0.46 -0.02 -0.00 0.00 -0.00 0.00 0.00 36.73 37.17 1a7m h TYR 89 CO -0.56 0.84 -0.42 1.25 -0.00 0.00 0.00 178.16 179.27 1a7m h LEU 90 N -0.58 -1.06 -0.86 0.10 7.12 0.16 -1.11 115.31 119.08 1a7m h LEU 90 Ca -0.01 0.06 0.10 0.00 0.13 0.00 0.00 57.88 58.16 1a7m h LEU 90 Cb 0.87 0.31 -0.12 0.00 -0.53 0.00 0.00 40.66 41.19 1a7m h LEU 90 CO 0.03 -0.64 -0.42 -1.54 -0.13 0.00 0.00 178.44 175.74 1a7m n SER 91 N -5.04 -0.73 -0.09 1.25 3.41 0.52 0.84 113.62 113.77 1a7m n SER 91 Ca -0.12 1.51 -0.06 0.00 -0.26 0.00 0.00 58.87 59.93 1a7m n SER 91 Cb 0.42 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1a7m n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a7m h ALA 92 N 0.80 0.16 -0.47 7.33 0.00 -1.25 0.34 119.26 126.17 1a7m h ALA 92 Ca 0.22 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.35 1a7m h ALA 92 Cb 0.43 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1a7m h ALA 92 CO -0.83 -0.50 -0.12 1.03 0.00 0.00 0.00 179.25 178.83 1a7m h SER 93 N -0.06 -0.46 -0.50 0.00 0.87 0.18 0.35 113.55 113.93 1a7m h SER 93 Ca 0.17 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 1a7m h SER 93 Cb 0.32 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1a7m h SER 93 CO -0.38 -0.16 0.32 -0.07 -0.53 0.00 0.00 176.83 176.00 1a7m h LEU 94 N -0.01 0.54 0.54 2.23 4.07 0.73 -2.76 115.31 120.65 1a7m h LEU 94 Ca 0.23 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 1a7m h LEU 94 Cb 0.35 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1a7m h LEU 94 CO -0.49 0.38 -0.36 0.74 -1.08 0.00 0.00 178.44 177.64 1a7m h THR 95 N 0.64 0.27 -0.91 0.22 2.02 0.15 -0.42 112.91 114.88 1a7m h THR 95 Ca 0.19 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.49 1a7m h THR 95 Cb -0.04 0.27 -0.13 0.00 -1.74 0.00 0.00 68.15 66.51 1a7m h THR 95 CO -0.06 0.00 -0.48 0.78 0.37 0.00 0.00 175.52 176.13 1a7m h ASN 96 N -0.86 -1.75 -0.51 4.18 2.35 -0.82 0.28 115.58 118.46 1a7m h ASN 96 Ca -0.06 0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1a7m h ASN 96 Cb 0.71 0.82 -0.02 0.00 0.05 0.00 0.00 38.32 39.88 1a7m h ASN 96 CO 0.05 -0.28 0.31 -0.29 -1.65 0.00 0.00 177.43 175.56 1a7m h ILE 97 N -0.05 1.16 -0.53 2.81 2.10 -1.39 -2.79 117.51 118.83 1a7m h ILE 97 Ca 0.24 -0.37 0.06 0.00 1.08 0.00 0.00 64.86 65.87 1a7m h ILE 97 Cb 0.52 0.48 -0.07 0.00 -1.09 0.00 0.00 36.82 36.65 1a7m h ILE 97 CO -0.91 0.17 -0.28 0.41 -1.08 0.00 0.00 178.15 176.46 1a7m n THR 98 N -4.68 -0.33 0.03 2.19 -1.04 0.99 0.18 114.28 111.62 1a7m n THR 98 Ca 0.02 1.26 -0.13 0.00 -2.04 0.00 0.00 64.05 63.17 1a7m n THR 98 Cb 0.06 -1.59 -0.09 0.00 -1.82 0.00 0.00 70.33 66.89 1a7m n THR 98 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1a7m h ARG 99 N 0.00 -0.11 -0.39 -2.82 2.43 -1.41 0.26 114.38 112.34 1a7m h ARG 99 Ca 0.11 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1a7m h ARG 99 Cb 0.25 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.73 1a7m h ARG 99 CO -0.50 0.33 -0.40 0.22 -1.51 0.00 0.00 179.97 178.10 1a7m h ASP 100 N -0.60 -1.34 -0.18 -3.80 1.82 -0.41 -1.31 116.42 110.60 1a7m h ASP 100 Ca -0.01 0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1a7m h ASP 100 Cb 0.49 0.59 -0.01 0.00 0.68 0.00 0.00 39.33 41.09 1a7m h ASP 100 CO 0.02 -0.36 0.09 -0.61 -1.61 0.00 0.00 179.24 176.76 1a7m h GLN 101 N -0.32 0.26 -0.23 0.28 5.75 -0.33 0.44 115.11 120.96 1a7m h GLN 101 Ca 0.14 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 1a7m h GLN 101 Cb 0.58 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1a7m h GLN 101 CO -0.56 0.29 0.58 -0.22 -2.65 0.00 0.00 178.83 176.27 1a7m h LYS 102 N 0.16 0.00 0.00 1.69 3.11 0.42 0.22 116.57 122.18 1a7m h LYS 102 Ca 0.06 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.72 1a7m h LYS 102 Cb 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.32 1a7m h LYS 102 CO -0.01 0.00 -1.77 0.28 -2.81 0.00 0.00 179.45 175.14 1a7m n VAL 103 N -3.09 0.69 0.04 2.00 0.31 -0.58 -4.65 118.33 113.05 1a7m n VAL 103 Ca 0.04 -0.47 -0.18 0.00 -0.01 0.00 0.00 64.34 63.72 1a7m n VAL 103 Cb 0.68 -0.57 -0.08 0.00 -0.91 0.00 0.00 33.84 32.97 1a7m n VAL 103 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1a7m h LEU 104 N 0.00 0.82 -7.77 7.52 5.85 0.31 -3.47 115.31 118.57 1a7m h LEU 104 Ca -0.27 -0.63 -0.32 0.00 0.84 0.00 0.00 57.88 57.49 1a7m h LEU 104 Cb 1.56 -0.25 -0.30 0.00 0.37 0.00 0.00 40.66 42.04 1a7m h LEU 104 CO 0.01 1.43 -0.75 0.21 -0.34 0.00 0.00 178.44 179.01 1a7m s ASN 105 N -7.20 0.48 0.64 1.25 3.84 -0.59 -4.99 114.94 108.36 1a7m s ASN 105 Ca -0.09 -0.06 0.24 0.00 0.21 0.00 0.00 52.86 53.16 1a7m s ASN 105 Cb 0.08 -0.14 1.33 0.00 -0.55 0.00 0.00 41.25 41.97 1a7m s ASN 105 CO 0.90 -0.01 1.74 1.55 -2.79 0.00 0.00 177.10 178.50 1a7m h PRO 106 N 6.51 0.00 0.00 0.43 0.13 -1.90 0.36 132.00 137.54 1a7m h PRO 106 Ca -0.33 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.52 1a7m h PRO 106 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1a7m h PRO 106 CO 0.49 0.00 -2.07 0.45 -0.23 0.00 0.00 178.00 176.64 1a7m n SER 107 N -2.76 1.95 -0.35 1.44 2.88 -1.26 -4.35 113.62 111.17 1a7m n SER 107 Ca -0.02 -0.06 0.13 0.00 -1.33 0.00 0.00 58.87 57.59 1a7m n SER 107 Cb 0.46 0.22 0.32 0.00 -0.75 0.00 0.00 64.21 64.46 1a7m n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a7m h ALA 108 N 0.33 1.66 -1.00 -1.46 0.00 -0.57 0.58 119.26 118.80 1a7m h ALA 108 Ca -0.42 0.08 0.38 0.00 0.00 0.00 0.00 54.91 54.94 1a7m h ALA 108 Cb 1.79 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 19.31 1a7m h ALA 108 CO -0.03 -0.04 0.44 -0.39 0.00 0.00 0.00 179.25 179.24 1a7m h VAL 109 N 0.77 0.05 0.62 0.00 -1.51 -1.36 0.70 116.25 115.52 1a7m h VAL 109 Ca 0.58 -0.02 -0.03 0.00 -1.23 0.00 0.00 66.70 66.00 1a7m h VAL 109 Cb 0.88 -0.00 0.01 0.00 -2.13 0.00 0.00 31.29 30.04 1a7m h VAL 109 CO -0.38 0.01 -0.30 -1.28 -1.23 0.00 0.00 177.57 174.39 1a7m h SER 110 N 0.05 -0.71 -0.86 4.19 0.87 -0.10 -2.79 113.55 114.20 1a7m h SER 110 Ca 0.78 -0.01 0.09 0.00 -1.23 0.00 0.00 61.79 61.43 1a7m h SER 110 Cb 1.97 0.18 -0.11 0.00 -0.44 0.00 0.00 62.40 64.00 1a7m h SER 110 CO -0.78 -0.33 -0.47 -0.11 -0.53 0.00 0.00 176.83 174.62 1a7m n LEU 111 N -5.35 -0.83 0.02 2.23 0.00 0.23 -0.01 117.00 113.29 1a7m n LEU 111 Ca -0.11 1.52 -0.10 0.00 0.00 0.00 0.00 56.01 57.32 1a7m n LEU 111 Cb 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 43.42 43.50 1a7m n LEU 111 CO 0.28 -1.27 0.71 1.12 0.00 0.00 0.00 177.39 178.23 1a7m h HIS 112 N 0.00 -0.60 -0.69 1.96 2.07 -1.12 -1.28 115.15 115.49 1a7m h HIS 112 Ca 0.18 0.03 0.11 0.00 -2.85 0.00 0.00 60.37 57.83 1a7m h HIS 112 Cb 0.39 0.28 -0.11 0.00 2.57 0.00 0.00 27.41 30.54 1a7m h HIS 112 CO -0.85 -0.31 -0.26 0.45 -3.07 0.00 0.00 177.93 173.88 1a7m n SER 113 N -5.36 -0.43 0.12 3.10 2.88 0.98 0.13 113.62 115.04 1a7m n SER 113 Ca -0.03 1.20 -0.13 0.00 -1.33 0.00 0.00 58.87 58.57 1a7m n SER 113 Cb 0.27 -0.28 -0.06 0.00 -0.75 0.00 0.00 64.21 63.39 1a7m n SER 113 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1a7m h LYS 114 N 0.00 -0.31 -0.81 -1.46 1.57 -0.94 -1.75 116.57 112.87 1a7m h LYS 114 Ca 0.24 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.20 1a7m h LYS 114 Cb 0.42 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1a7m h LYS 114 CO -0.68 -0.21 0.53 -0.07 -0.57 0.00 0.00 179.45 178.45 1a7m h LEU 115 N -0.32 0.48 -0.21 2.94 4.07 0.15 0.34 115.31 122.76 1a7m h LEU 115 Ca 0.00 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.03 1a7m h LEU 115 Cb 0.30 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.94 1a7m h LEU 115 CO -0.03 0.25 -0.02 0.78 -1.08 0.00 0.00 178.44 178.33 1a7m h ASN 116 N 0.51 -0.13 0.59 -0.43 4.21 0.48 -0.28 115.58 120.53 1a7m h ASN 116 Ca 0.40 0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.94 1a7m h ASN 116 Cb 0.82 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 1a7m h ASN 116 CO -0.15 -0.04 -0.41 0.00 -1.29 0.00 0.00 177.43 175.53 1a7m h ALA 117 N 1.19 -1.18 -0.99 -0.83 0.00 -0.60 0.14 119.26 116.99 1a7m h ALA 117 Ca 0.10 -0.20 0.35 0.00 0.00 0.00 0.00 54.91 55.16 1a7m h ALA 117 Cb 0.14 0.56 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 1a7m h ALA 117 CO -0.19 -1.16 0.46 1.79 0.00 0.00 0.00 179.25 180.15 1a7m h THR 118 N -0.96 0.13 0.11 0.00 1.35 -1.14 0.15 112.91 112.56 1a7m h THR 118 Ca -0.08 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 1a7m h THR 118 Cb 0.78 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1a7m h THR 118 CO 0.05 0.02 -0.05 0.40 -0.25 0.00 0.00 175.52 175.69 1a7m h ILE 119 N 0.13 0.90 -0.92 6.82 5.03 -0.61 0.30 117.51 129.16 1a7m h ILE 119 Ca 0.75 -1.32 0.13 0.00 -0.12 0.00 0.00 64.86 64.31 1a7m h ILE 119 Cb 1.83 1.57 -0.07 0.00 -3.03 0.00 0.00 36.82 37.11 1a7m h ILE 119 CO -0.72 0.26 0.59 -0.78 -0.68 0.00 0.00 178.15 176.81 1a7m h ASP 120 N -0.90 0.75 0.16 1.72 3.58 0.46 0.29 116.42 122.48 1a7m h ASP 120 Ca -0.02 0.04 -0.26 0.00 0.42 0.00 0.00 57.03 57.22 1a7m h ASP 120 Cb 0.54 -0.11 0.03 0.00 1.72 0.00 0.00 39.33 41.50 1a7m h ASP 120 CO 0.03 0.39 -1.10 -0.37 -2.88 0.00 0.00 179.24 175.31 1a7m h VAL 121 N 0.80 1.38 -0.05 2.25 -1.51 -0.85 -3.27 116.25 115.00 1a7m h VAL 121 Ca 0.45 -2.53 -0.07 0.00 -1.23 0.00 0.00 66.70 63.32 1a7m h VAL 121 Cb 0.60 2.99 -0.01 0.00 -2.13 0.00 0.00 31.29 32.74 1a7m h VAL 121 CO -0.22 0.74 -0.31 0.00 -1.23 0.00 0.00 177.57 176.56 1a7m h MET 122 N -0.04 0.08 -1.00 5.19 -0.00 -0.20 -1.60 114.93 117.37 1a7m h MET 122 Ca -0.18 -0.03 0.31 0.00 -0.00 0.00 0.00 59.70 59.79 1a7m h MET 122 Cb 1.84 -0.01 -0.18 0.00 -0.00 0.00 0.00 31.60 33.25 1a7m h MET 122 CO 0.21 0.39 0.14 0.00 -0.00 0.00 0.00 176.91 177.65 1a7m h ARG 123 N 0.08 0.00 0.51 -0.10 2.47 -0.49 0.82 114.38 117.67 1a7m h ARG 123 Ca 0.01 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1a7m h ARG 123 Cb 0.59 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1a7m h ARG 123 CO 0.04 0.00 -0.25 0.78 0.56 0.00 0.00 179.97 181.11 1a7m h GLY 124 N 0.00 -0.72 -0.80 0.04 0.00 -1.43 0.34 103.07 100.50 1a7m h GLY 124 Ca 0.66 0.27 0.23 0.00 0.00 0.00 0.00 47.33 48.49 1a7m h GLY 124 CO -0.90 -0.26 0.05 1.04 0.00 0.00 0.00 176.54 176.47 1a7m n LEU 125 N -4.53 -0.06 0.12 3.11 4.77 0.25 0.93 117.00 121.59 1a7m n LEU 125 Ca -0.09 1.36 -0.10 0.00 -0.03 0.00 0.00 56.01 57.16 1a7m n LEU 125 Cb 0.27 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1a7m n LEU 125 CO 0.21 -1.39 0.35 -0.07 -1.33 0.00 0.00 177.39 175.15 1a7m h LEU 126 N 0.00 -0.31 -1.68 2.23 3.38 -0.65 0.55 115.31 118.83 1a7m h LEU 126 Ca 0.51 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.44 1a7m h LEU 126 Cb 1.08 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1a7m h LEU 126 CO -0.74 0.18 0.49 0.28 0.09 0.00 0.00 178.44 178.73 1a7m h SER 127 N -0.96 0.29 -0.15 -0.43 0.02 0.14 0.33 113.55 112.80 1a7m h SER 127 Ca -0.04 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1a7m h SER 127 Cb 0.48 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.99 1a7m h SER 127 CO 0.06 0.15 -0.56 0.78 -1.14 0.00 0.00 176.83 176.12 1a7m h ASN 128 N 0.31 0.76 0.72 3.07 -0.26 0.62 0.40 115.58 121.20 1a7m h ASN 128 Ca 0.36 -0.61 -0.04 0.00 -0.56 0.00 0.00 56.30 55.45 1a7m h ASN 128 Cb 0.94 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.99 1a7m h ASN 128 CO -0.09 1.24 -0.34 0.58 -1.06 0.00 0.00 177.43 177.75 1a7m h VAL 129 N 0.33 0.25 -0.79 2.81 2.07 0.38 -0.75 116.25 120.55 1a7m h VAL 129 Ca -0.03 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1a7m h VAL 129 Cb 1.19 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1a7m h VAL 129 CO 0.12 0.01 0.48 -0.07 0.02 0.00 0.00 177.57 178.13 1a7m h LEU 130 N -1.04 0.73 -0.96 2.57 -0.00 -0.86 0.45 115.31 116.20 1a7m h LEU 130 Ca -0.10 0.02 0.19 0.00 -0.00 0.00 0.00 57.88 57.99 1a7m h LEU 130 Cb 0.76 -0.13 -0.11 0.00 -0.00 0.00 0.00 40.66 41.18 1a7m h LEU 130 CO 0.16 0.47 0.55 0.00 -0.00 0.00 0.00 178.44 179.62 1a7m h ARG 132 N 0.69 0.00 0.00 0.00 2.43 -0.08 -3.42 114.38 114.01 1a7m h ARG 132 Ca 0.56 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1a7m h ARG 132 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1a7m h ARG 132 CO -0.40 0.23 0.00 -0.11 -1.51 0.00 0.00 179.97 178.18 1a7m n LEU 133 N -4.61 0.00 -0.34 3.80 7.94 0.15 0.64 117.00 124.57 1a7m n LEU 133 Ca -0.10 0.00 0.30 0.00 -1.11 0.00 0.00 56.01 55.10 1a7m n LEU 133 Cb 0.30 0.00 0.53 0.00 0.53 0.00 0.00 43.42 44.78 1a7m n LEU 133 CO 0.11 0.00 0.95 0.00 -1.11 0.00 0.00 177.39 177.34 1a7m n ASN 135 N -4.49 0.00 -0.09 0.00 4.05 0.21 -0.41 115.26 114.53 1a7m n ASN 135 Ca 0.32 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.35 1a7m n ASN 135 Cb 1.20 0.00 0.00 0.00 1.23 0.00 0.00 39.78 42.21 1a7m n ASN 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1a7m n LYS 136 N -3.88 0.00 -2.74 1.20 5.02 -0.36 -4.86 118.16 112.54 1a7m n LYS 136 Ca 0.00 -0.58 -0.16 0.00 -2.02 0.00 0.00 58.31 55.55 1a7m n LYS 136 Cb 0.00 -0.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.52 1a7m n LYS 136 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1a7m n TYR 137 N 0.00 1.72 -2.37 2.13 4.01 0.70 -4.92 117.16 118.43 1a7m n TYR 137 Ca 0.00 -3.15 -0.40 0.00 -0.16 0.00 0.00 57.90 54.19 1a7m n TYR 137 Cb 0.53 -0.33 0.02 0.00 -0.31 0.00 0.00 39.34 39.26 1a7m n TYR 137 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1a7m n ARG 138 N -0.11 4.62 -0.10 -0.72 1.85 -0.68 -3.60 116.66 117.92 1a7m n ARG 138 Ca 0.20 -4.21 -0.19 0.00 -1.00 0.00 0.00 57.85 52.65 1a7m n ARG 138 Cb 0.72 -2.42 -0.06 0.00 -1.05 0.00 0.00 32.46 29.64 1a7m n ARG 138 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1a7m n VAL 139 N -0.00 1.39 0.00 8.89 3.14 -1.26 -4.94 118.33 125.54 1a7m n VAL 139 Ca 0.50 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.73 1a7m n VAL 139 Cb 0.26 -1.99 0.00 0.00 -1.06 0.00 0.00 33.84 31.05 1a7m n VAL 139 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a7m n GLY 140 N 1.56 0.75 0.46 7.55 0.00 -1.26 -4.58 105.19 109.68 1a7m n GLY 140 Ca -0.35 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.73 1a7m n GLY 140 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1a7m n HIS 141 N 0.00 0.00 0.00 1.61 1.44 -1.26 -4.74 115.22 112.27 1a7m n HIS 141 Ca 0.00 -0.68 0.00 0.00 -2.01 0.00 0.00 57.72 55.03 1a7m n HIS 141 Cb 0.00 -0.13 0.00 0.00 0.12 0.00 0.00 29.99 29.98 1a7m n HIS 141 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1a7m n VAL 142 N -0.68 0.00 -0.87 0.61 3.14 -1.26 -5.09 118.33 114.18 1a7m n VAL 142 Ca 0.10 0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.81 1a7m n VAL 142 Cb 0.73 -1.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.32 1a7m n VAL 142 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1a7m n ASP 143 N -1.87 0.00 -3.50 6.55 2.03 -1.26 -5.01 116.55 113.50 1a7m n ASP 143 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 1a7m n ASP 143 Cb 0.00 -1.47 -0.11 0.00 -0.72 0.00 0.00 41.12 38.82 1a7m n ASP 143 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a7m s VAL 144 N -4.15 0.69 0.98 5.18 -7.23 -1.26 -4.89 120.40 109.71 1a7m s VAL 144 Ca 0.00 -2.62 -0.12 0.00 -1.81 0.00 0.00 61.98 57.43 1a7m s VAL 144 Cb 0.00 -1.48 0.13 0.00 0.56 0.00 0.00 36.38 35.58 1a7m s VAL 144 CO 0.00 -1.12 0.79 -0.81 -0.31 0.00 0.00 175.10 173.65 1a7m n PRO 145 N 3.08 -0.77 0.12 4.82 -0.04 -1.26 -4.93 135.00 136.02 1a7m n PRO 145 Ca 0.23 -0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 1a7m n PRO 145 Cb 0.43 -2.12 0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1a7m n PRO 145 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1a7m h PRO 146 N -1.91 0.00 -0.73 0.54 0.13 -2.00 -3.46 132.00 124.57 1a7m h PRO 146 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1a7m h PRO 146 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1a7m h PRO 146 CO 0.40 0.02 0.27 0.28 -0.23 0.00 0.00 178.00 178.73 1a7m n VAL 147 N -2.78 0.00 -2.61 1.56 0.31 -1.26 -4.85 118.33 108.70 1a7m n VAL 147 Ca 0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 1a7m n VAL 147 Cb 0.56 -0.05 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 1a7m n VAL 147 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1a7m s PRO 148 N 1.22 4.53 -0.62 5.55 0.04 -1.26 -5.01 135.00 139.45 1a7m s PRO 148 Ca 0.20 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.84 1a7m s PRO 148 Cb -0.17 -3.41 0.22 0.00 0.04 0.00 0.00 34.50 31.18 1a7m s PRO 148 CO 0.07 -0.10 0.62 -0.25 0.04 0.00 0.00 177.00 177.39 1a7m n ASP 149 N 3.79 2.94 -0.98 6.66 8.00 -1.26 -4.86 116.55 130.85 1a7m n ASP 149 Ca 0.07 -3.24 0.02 0.00 0.71 0.00 0.00 54.79 52.34 1a7m n ASP 149 Cb 0.49 -0.69 0.15 0.00 -0.02 0.00 0.00 41.12 41.06 1a7m n ASP 149 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1a7m n HIS 150 N 1.36 0.38 -1.24 1.24 8.25 -1.26 -4.80 115.22 119.16 1a7m n HIS 150 Ca 0.26 -1.45 -0.24 0.00 -0.26 0.00 0.00 57.72 56.03 1a7m n HIS 150 Cb 0.41 -0.25 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 1a7m n HIS 150 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1a7m n SER 151 N -0.81 6.63 -0.06 0.41 2.88 -1.26 -4.03 113.62 117.38 1a7m n SER 151 Ca 0.20 -3.22 -0.08 0.00 -1.33 0.00 0.00 58.87 54.44 1a7m n SER 151 Cb 0.80 -1.13 -0.07 0.00 -0.75 0.00 0.00 64.21 63.06 1a7m n SER 151 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1a7m n ASP 152 N 0.43 2.69 -4.18 -3.46 2.03 -1.26 -5.01 116.55 107.79 1a7m n ASP 152 Ca 0.42 -0.05 -0.18 0.00 0.52 0.00 0.00 54.79 55.51 1a7m n ASP 152 Cb 0.56 0.16 -0.12 0.00 -0.72 0.00 0.00 41.12 41.00 1a7m n ASP 152 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1a7m s LYS 153 N -2.27 0.86 0.00 -0.67 -0.14 -1.26 -5.04 119.74 111.22 1a7m s LYS 153 Ca -0.14 -1.03 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 1a7m s LYS 153 Cb 0.04 -0.81 0.00 0.00 -1.68 0.00 0.00 37.83 35.38 1a7m s LYS 153 CO 0.37 0.17 0.00 -0.85 -0.76 0.00 0.00 175.35 174.28 1a7m n GLU 154 N 1.07 0.00 0.20 1.68 -0.00 -1.26 -2.09 120.64 120.24 1a7m n GLU 154 Ca -0.20 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.08 1a7m n GLU 154 Cb 0.55 -0.21 0.61 0.00 -0.00 0.00 0.00 31.44 32.39 1a7m n GLU 154 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1a7m h VAL 155 N 0.00 0.00 0.02 3.84 -1.51 -2.00 -0.75 116.25 115.86 1a7m h VAL 155 Ca 0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 65.15 1a7m h VAL 155 Cb 0.00 0.50 -0.04 0.00 -2.13 0.00 0.00 31.29 29.62 1a7m h VAL 155 CO 0.00 0.00 -1.75 0.49 -1.23 0.00 0.00 177.57 175.08 1a7m n PHE 156 N -2.35 0.76 -0.02 5.19 3.01 -1.26 -3.29 117.46 119.50 1a7m n PHE 156 Ca -0.01 0.28 0.08 0.00 1.01 0.00 0.00 57.45 58.81 1a7m n PHE 156 Cb 0.16 -1.08 0.47 0.00 -0.01 0.00 0.00 39.48 39.02 1a7m n PHE 156 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1a7m h GLN 157 N -0.78 0.44 0.68 -1.08 -0.00 -0.60 1.46 115.11 115.23 1a7m h GLN 157 Ca -0.46 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.13 1a7m h GLN 157 Cb 1.53 -0.10 0.01 0.00 -0.00 0.00 0.00 27.48 28.92 1a7m h GLN 157 CO -0.21 0.29 -0.33 -0.22 -0.00 0.00 0.00 178.83 178.37 1a7m h LYS 158 N 0.45 -0.88 0.03 0.06 3.64 -1.54 0.22 116.57 118.55 1a7m h LYS 158 Ca 0.20 0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.40 1a7m h LYS 158 Cb 0.23 0.20 0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1a7m h LYS 158 CO -0.05 -0.55 -0.94 0.87 -2.27 0.00 0.00 179.45 176.51 1a7m h LYS 159 N -1.12 0.59 -0.01 1.90 1.57 -1.47 -3.25 116.57 114.78 1a7m h LYS 159 Ca -0.09 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.02 1a7m h LYS 159 Cb 0.73 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1a7m h LYS 159 CO 0.15 1.27 0.00 0.36 -0.57 0.00 0.00 179.45 180.66 1a7m n LYS 160 N -3.97 1.33 -0.28 3.15 2.85 0.50 -4.16 118.16 117.58 1a7m n LYS 160 Ca -0.11 -0.48 0.26 0.00 -1.05 0.00 0.00 58.31 56.93 1a7m n LYS 160 Cb 0.84 -1.48 0.48 0.00 -0.65 0.00 0.00 35.03 34.22 1a7m n LYS 160 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1a7m n LEU 161 N -0.41 0.25 -0.48 -5.58 0.00 0.78 0.12 117.00 111.69 1a7m n LEU 161 Ca 0.21 1.47 0.05 0.00 0.00 0.00 0.00 56.01 57.73 1a7m n LEU 161 Cb 0.23 -0.69 0.09 0.00 0.00 0.00 0.00 43.42 43.05 1a7m n LEU 161 CO 0.17 -1.62 0.51 0.61 0.00 0.00 0.00 177.39 177.06 1a7m n GLY 162 N -1.26 1.20 0.11 -3.96 0.00 -1.26 -4.46 105.19 95.56 1a7m n GLY 162 Ca 0.32 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1a7m n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a7m h GLN 164 N -1.00 0.86 0.80 0.00 4.15 -1.32 0.20 115.11 118.79 1a7m h GLN 164 Ca -0.41 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 58.92 1a7m h GLN 164 Cb 1.30 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 28.80 1a7m h GLN 164 CO -0.25 0.57 -0.39 -0.07 -1.93 0.00 0.00 178.83 176.76 1a7m h LEU 165 N 0.88 -0.93 -0.69 -2.39 -0.00 -1.72 -2.21 115.31 108.24 1a7m h LEU 165 Ca 0.43 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.49 1a7m h LEU 165 Cb 0.38 0.24 -0.12 0.00 -0.00 0.00 0.00 40.66 41.16 1a7m h LEU 165 CO -0.24 -0.66 -0.03 -0.07 -0.00 0.00 0.00 178.44 177.44 1a7m h LEU 166 N -1.08 -0.38 -0.51 1.67 -0.00 0.95 0.17 115.31 116.14 1a7m h LEU 166 Ca -0.11 0.18 0.05 0.00 -0.00 0.00 0.00 57.88 58.00 1a7m h LEU 166 Cb 0.83 0.33 -0.07 0.00 -0.00 0.00 0.00 40.66 41.76 1a7m h LEU 166 CO 0.17 -0.17 -0.38 1.23 -0.00 0.00 0.00 178.44 179.30 1a7m h GLY 167 N 0.09 -1.43 0.34 0.83 0.00 -0.43 0.14 103.07 102.60 1a7m h GLY 167 Ca 0.37 0.87 -0.01 0.00 0.00 0.00 0.00 47.33 48.55 1a7m h GLY 167 CO -0.63 -0.33 -0.37 -0.91 0.00 0.00 0.00 176.54 174.31 1a7m h THR 168 N -0.10 0.00 -0.62 4.70 1.35 -0.65 -2.86 112.91 114.73 1a7m h THR 168 Ca 0.08 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.06 1a7m h THR 168 Cb 0.32 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.62 1a7m h THR 168 CO -0.53 0.00 -0.19 0.00 -0.25 0.00 0.00 175.52 174.55 1a7m n TYR 169 N -4.62 0.15 0.00 4.73 9.36 0.49 -0.71 117.16 126.56 1a7m n TYR 169 Ca -0.08 0.76 0.00 0.00 3.32 0.00 0.00 57.90 61.90 1a7m n TYR 169 Cb 0.33 -0.82 0.00 0.00 -0.63 0.00 0.00 39.34 38.22 1a7m n TYR 169 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1a7m n LYS 170 N -4.98 0.00 -0.35 2.98 4.81 0.42 0.64 118.16 121.67 1a7m n LYS 170 Ca 0.09 0.67 0.24 0.00 -0.87 0.00 0.00 58.31 58.44 1a7m n LYS 170 Cb 0.29 -1.50 0.49 0.00 0.02 0.00 0.00 35.03 34.34 1a7m n LYS 170 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1a7m h GLN 171 N 0.00 0.37 0.12 1.64 4.15 -0.90 0.33 115.11 120.82 1a7m h GLN 171 Ca 0.00 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 59.19 1a7m h GLN 171 Cb 0.00 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.61 1a7m h GLN 171 CO 0.00 0.24 -1.01 -0.39 -1.93 0.00 0.00 178.83 175.74 1a7m h VAL 172 N 0.38 1.32 -0.88 2.39 -1.51 -1.09 -3.29 116.25 113.57 1a7m h VAL 172 Ca 0.66 -2.46 0.08 0.00 -1.23 0.00 0.00 66.70 63.75 1a7m h VAL 172 Cb 1.63 2.98 -0.06 0.00 -2.13 0.00 0.00 31.29 33.71 1a7m h VAL 172 CO -0.41 0.69 0.57 0.40 -1.23 0.00 0.00 177.57 177.59 1a7m h ILE 173 N -0.42 1.02 0.00 7.19 1.08 0.16 0.33 117.51 126.87 1a7m h ILE 173 Ca -0.20 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1a7m h ILE 173 Cb 1.63 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1a7m h ILE 173 CO 0.09 0.17 0.00 -1.54 -0.69 0.00 0.00 178.15 176.18 1a7m n SER 174 N -4.50 0.00 -0.02 1.72 3.41 0.10 -0.31 113.62 114.03 1a7m n SER 174 Ca 0.14 -0.42 -0.02 0.00 -0.26 0.00 0.00 58.87 58.31 1a7m n SER 174 Cb 0.24 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1a7m n SER 174 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1a7m n VAL 175 N -1.02 0.20 0.07 -3.33 0.31 0.83 -4.31 118.33 111.09 1a7m n VAL 175 Ca 0.11 -0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 64.30 1a7m n VAL 175 Cb 0.05 -0.86 -0.06 0.00 -0.91 0.00 0.00 33.84 32.06 1a7m n VAL 175 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1a7m h VAL 176 N 0.00 1.08 0.00 2.52 -1.51 0.38 -1.17 116.25 117.55 1a7m h VAL 176 Ca -0.08 -2.64 0.00 0.00 -1.23 0.00 0.00 66.70 62.75 1a7m h VAL 176 Cb 1.17 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.82 1a7m h VAL 176 CO 0.00 0.61 0.00 1.62 -1.23 0.00 0.00 177.57 178.57 1a7m h VAL 177 N 0.00 0.00 -0.37 7.19 3.04 -0.90 0.21 116.25 125.42 1a7m h VAL 177 Ca -0.07 -0.30 -0.08 0.00 -1.01 0.00 0.00 66.70 65.24 1a7m h VAL 177 Cb 1.63 1.29 -0.05 0.00 -2.01 0.00 0.00 31.29 32.15 1a7m h VAL 177 CO 0.08 0.00 0.03 0.00 -1.01 0.00 0.00 177.57 176.68 1a7m n GLN 178 N -3.05 2.82 -0.08 4.17 1.13 -0.80 -4.41 117.38 117.14 1a7m n GLN 178 Ca -0.01 -2.97 -0.13 0.00 -1.94 0.00 0.00 57.00 51.95 1a7m n GLN 178 Cb 0.21 -1.91 -0.07 0.00 0.11 0.00 0.00 30.24 28.58 1a7m n GLN 178 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a7m n ALA 179 N -0.59 1.68 -0.69 -1.58 0.00 0.72 -4.96 120.51 115.09 1a7m n ALA 179 Ca 0.28 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1a7m n ALA 179 Cb 1.02 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.61 1a7m n ALA 179 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47