#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7m n PRO 2 N 0.00 3.34 -0.07 1.43 -0.04 -1.26 -4.85 135.00 133.55 1a7m n PRO 2 Ca 0.00 -2.16 -0.02 0.00 -0.04 0.00 0.00 63.50 61.28 1a7m n PRO 2 Cb 0.00 -2.51 -0.02 0.00 -0.04 0.00 0.00 33.50 30.93 1a7m n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a7m n LEU 3 N 2.71 -0.18 -3.19 1.53 7.99 -1.26 -2.98 117.00 121.62 1a7m n LEU 3 Ca 0.64 0.36 -0.33 0.00 -0.01 0.00 0.00 56.01 56.67 1a7m n LEU 3 Cb 0.43 -0.07 -0.04 0.00 -0.11 0.00 0.00 43.42 43.64 1a7m n LEU 3 CO 0.60 -0.27 3.03 -0.81 -1.51 0.00 0.00 177.39 178.43 1a7m n PRO 4 N -3.75 3.19 -1.78 3.23 -0.04 -1.26 -4.74 135.00 129.85 1a7m n PRO 4 Ca 0.00 -1.93 -0.37 0.00 -0.04 0.00 0.00 63.50 61.16 1a7m n PRO 4 Cb 0.04 -2.66 -0.02 0.00 -0.04 0.00 0.00 33.50 30.82 1a7m n PRO 4 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1a7m n ILE 5 N 3.66 4.74 0.00 0.52 0.13 -1.16 -4.86 119.36 122.40 1a7m n ILE 5 Ca 0.68 -3.78 0.00 0.00 -1.10 0.00 0.00 62.75 58.55 1a7m n ILE 5 Cb 0.25 -2.07 0.00 0.00 -0.84 0.00 0.00 39.64 36.98 1a7m n ILE 5 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 1a7m n THR 6 N 1.87 0.00 -2.04 9.51 -1.04 -1.26 -5.03 114.28 116.29 1a7m n THR 6 Ca 0.62 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 62.30 1a7m n THR 6 Cb 0.32 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.84 1a7m n THR 6 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1a7m s PRO 7 N -3.64 3.26 0.13 -2.82 0.04 -1.26 -4.99 135.00 125.71 1a7m s PRO 7 Ca 0.00 1.27 -0.24 0.00 0.04 0.00 0.00 61.00 62.07 1a7m s PRO 7 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1a7m s PRO 7 CO 0.00 -0.87 1.66 -0.24 0.04 0.00 0.00 177.00 177.59 1a7m h VAL 8 N 0.47 0.55 0.00 -0.36 3.04 -1.97 -3.44 116.25 114.53 1a7m h VAL 8 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1a7m h VAL 8 Cb 1.23 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1a7m h VAL 8 CO 0.57 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.72 1a7m n ASN 9 N -5.32 0.00 0.00 3.17 4.13 -1.26 -4.96 115.26 111.02 1a7m n ASN 9 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 1a7m n ASN 9 Cb 0.24 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 1a7m n ASN 9 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a7m n ALA 10 N -1.27 1.84 0.00 5.41 0.00 -1.25 -4.35 120.51 120.89 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 0.25 0.00 0.00 0.00 177.50 177.75 1a7m n THR 11 N -0.84 0.00 -0.20 0.00 -2.24 -1.26 -4.89 114.28 104.85 1a7m n THR 11 Ca 0.00 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1a7m n THR 11 Cb 0.00 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1a7m n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a7m h ALA 13 N 0.48 0.67 -0.22 0.00 0.00 -1.90 -1.82 119.26 116.46 1a7m h ALA 13 Ca 0.13 0.24 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 1a7m h ALA 13 Cb 0.25 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 1a7m h ALA 13 CO -0.47 -0.42 -0.48 0.44 0.00 0.00 0.00 179.25 178.32 1a7m n ILE 14 N -5.36 2.35 0.00 0.00 -6.64 0.19 -4.87 119.36 105.03 1a7m n ILE 14 Ca 0.11 -3.37 0.00 0.00 -1.77 0.00 0.00 62.75 57.73 1a7m n ILE 14 Cb 0.42 -0.45 0.00 0.00 -1.44 0.00 0.00 39.64 38.17 1a7m n ILE 14 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 1a7m n ARG 15 N -1.04 0.00 -4.03 6.28 0.63 0.13 -5.06 116.66 113.57 1a7m n ARG 15 Ca 0.27 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.12 1a7m n ARG 15 Cb 0.80 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.62 1a7m n ARG 15 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1a7m s HIS 16 N 0.57 0.44 -0.49 -0.14 3.76 -1.25 -5.03 115.29 113.14 1a7m s HIS 16 Ca 0.00 -0.95 -0.06 0.00 -0.15 0.00 0.00 55.06 53.90 1a7m s HIS 16 Cb 0.00 -0.30 -0.15 0.00 1.11 0.00 0.00 32.58 33.24 1a7m s HIS 16 CO 0.00 -0.44 3.25 -0.35 -0.85 0.00 0.00 174.74 176.36 1a7m n PRO 17 N 0.05 2.59 0.00 8.40 -0.04 -1.26 -4.90 135.00 139.83 1a7m n PRO 17 Ca -0.14 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1a7m n PRO 17 Cb 0.62 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 0.00 -0.15 0.00 0.00 8.25 -1.26 -4.90 115.22 117.16 1a7m n HIS 19 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1a7m n HIS 19 Cb 0.00 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 0.00 0.73 1.64 -1.41 0.00 -1.26 -4.58 105.19 100.30 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 2.12 0.20 0.00 1.61 5.03 -1.26 -5.04 115.26 117.92 1a7m n ASN 21 Ca 0.00 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.69 1a7m n ASN 21 Cb 0.00 0.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 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 -3.22 0.00 0.00 3.41 7.94 -1.26 -4.43 117.00 119.44 1a7m n LEU 22 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1a7m n LEU 22 Cb 0.06 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.01 1a7m n LEU 22 CO 0.00 0.00 0.00 0.23 -1.11 0.00 0.00 177.39 176.51 1a7m n MET 23 N 0.00 0.00 -0.91 1.96 2.81 -1.26 -0.32 117.12 119.39 1a7m n MET 23 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1a7m n MET 23 Cb 0.00 0.00 0.23 0.00 -0.71 0.00 0.00 33.22 32.74 1a7m n MET 23 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1a7m n ASN 24 N -0.70 3.62 -0.07 7.83 6.94 -1.26 -3.64 115.26 127.98 1a7m n ASN 24 Ca 0.00 -3.48 -0.07 0.00 -0.02 0.00 0.00 54.58 51.02 1a7m n ASN 24 Cb 0.00 -0.70 -0.03 0.00 -2.36 0.00 0.00 39.78 36.69 1a7m n ASN 24 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1a7m h GLN 25 N 1.56 0.00 0.00 -3.83 -0.00 -0.97 -2.62 115.11 109.26 1a7m h GLN 25 Ca 0.30 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.84 1a7m h GLN 25 Cb 2.10 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.57 1a7m h GLN 25 CO 0.63 0.19 -0.53 -0.84 0.00 0.00 0.00 178.83 178.28 1a7m h ILE 26 N -1.00 1.02 0.08 2.39 3.07 -1.68 -1.41 117.51 119.98 1a7m h ILE 26 Ca -0.05 -2.13 -0.00 0.00 1.55 0.00 0.00 64.86 64.22 1a7m h ILE 26 Cb 0.54 2.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.39 1a7m h ILE 26 CO -0.03 0.52 -0.04 0.50 -1.05 0.00 0.00 178.15 178.05 1a7m h LYS 27 N 0.00 -0.10 -0.35 0.16 3.64 -1.70 0.15 116.57 118.37 1a7m h LYS 27 Ca -0.01 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1a7m h LYS 27 Cb 1.25 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 1a7m h LYS 27 CO 0.07 0.33 0.03 -0.97 -2.27 0.00 0.00 179.45 176.64 1a7m h ASN 28 N -0.57 -0.08 0.71 4.20 -1.24 -1.46 -1.73 115.58 115.39 1a7m h ASN 28 Ca -0.01 0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.04 1a7m h ASN 28 Cb 0.48 0.12 0.01 0.00 0.73 0.00 0.00 38.32 39.66 1a7m h ASN 28 CO 0.02 -0.01 -0.34 -0.61 -1.29 0.00 0.00 177.43 175.20 1a7m h GLN 29 N 0.13 -0.92 -0.95 6.67 5.75 -1.23 -3.17 115.11 121.40 1a7m h GLN 29 Ca 0.17 0.06 0.28 0.00 -0.15 0.00 0.00 58.65 59.02 1a7m h GLN 29 Cb 0.22 0.21 -0.17 0.00 1.07 0.00 0.00 27.48 28.81 1a7m h GLN 29 CO -0.26 -0.61 0.20 1.25 -2.65 0.00 0.00 178.83 176.75 1a7m h LEU 30 N -1.09 -0.15 -0.74 -2.39 7.12 -0.60 0.45 115.31 117.91 1a7m h LEU 30 Ca -0.10 0.24 0.16 0.00 0.13 0.00 0.00 57.88 58.32 1a7m h LEU 30 Cb 0.73 0.36 -0.11 0.00 -0.53 0.00 0.00 40.66 41.11 1a7m h LEU 30 CO 0.16 -0.29 0.19 0.00 -0.13 0.00 0.00 178.44 178.37 1a7m h ALA 31 N 1.91 0.98 -0.75 1.25 0.00 -1.28 0.78 119.26 122.14 1a7m h ALA 31 Ca 0.62 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.79 1a7m h ALA 31 Cb 1.36 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 1a7m h ALA 31 CO -0.79 -0.33 0.49 0.37 0.00 0.00 0.00 179.25 178.99 1a7m h GLN 32 N 0.29 0.67 0.00 0.00 -0.00 -0.14 0.18 115.11 116.12 1a7m h GLN 32 Ca 0.42 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.65 58.87 1a7m h GLN 32 Cb 0.71 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 28.02 1a7m h GLN 32 CO -0.50 0.44 -0.77 -0.07 0.00 0.00 0.00 178.83 177.93 1a7m h LEU 33 N 0.69 0.00 0.36 -2.39 4.07 0.52 -3.23 115.31 115.33 1a7m h LEU 33 Ca 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.28 1a7m h LEU 33 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1a7m h LEU 33 CO -0.12 0.76 -0.17 -1.13 -1.08 0.00 0.00 178.44 176.69 1a7m h ASN 34 N 0.00 -0.41 -0.94 -0.43 -1.24 0.16 0.44 115.58 113.15 1a7m h ASN 34 Ca -0.01 -0.13 0.29 0.00 0.71 0.00 0.00 56.30 57.16 1a7m h ASN 34 Cb 1.59 0.11 -0.16 0.00 0.73 0.00 0.00 38.32 40.58 1a7m h ASN 34 CO 0.10 0.03 0.30 1.23 -1.29 0.00 0.00 177.43 177.80 1a7m h GLY 35 N -1.00 1.61 0.66 1.57 0.00 -0.82 0.21 103.07 105.30 1a7m h GLY 35 Ca -0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 1a7m h GLY 35 CO 0.08 -0.49 -0.69 1.48 0.00 0.00 0.00 176.54 176.92 1a7m h SER 36 N 0.15 0.44 -0.66 0.19 4.64 -1.57 -2.34 113.55 114.40 1a7m h SER 36 Ca 0.64 -0.90 0.24 0.00 -0.47 0.00 0.00 61.79 61.30 1a7m h SER 36 Cb 1.42 -0.14 -0.12 0.00 -0.31 0.00 0.00 62.40 63.25 1a7m h SER 36 CO -0.72 1.31 0.21 0.00 -0.87 0.00 0.00 176.83 176.76 1a7m n ALA 37 N -2.64 0.54 -0.04 5.18 0.00 0.15 0.31 120.51 124.01 1a7m n ALA 37 Ca -0.13 0.69 -0.22 0.00 0.00 0.00 0.00 53.44 53.79 1a7m n ALA 37 Cb 0.75 -0.61 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 1a7m n ALA 37 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1a7m n ASN 38 N -4.66 2.04 0.12 0.00 4.05 -1.04 -3.27 115.26 112.50 1a7m n ASN 38 Ca 0.21 0.24 -0.05 0.00 0.45 0.00 0.00 54.58 55.43 1a7m n ASN 38 Cb 0.71 -0.85 -0.03 0.00 1.23 0.00 0.00 39.78 40.85 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 -0.13 -0.48 -0.65 5.20 0.00 0.11 -3.03 119.26 120.28 1a7m h ALA 39 Ca -0.43 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.50 1a7m h ALA 39 Cb 1.82 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.63 1a7m h ALA 39 CO -0.03 -0.45 -0.44 1.25 0.00 0.00 0.00 179.25 179.58 1a7m h LEU 40 N -0.75 -1.55 -0.46 0.00 7.12 0.47 0.23 115.31 120.38 1a7m h LEU 40 Ca -0.04 0.26 0.04 0.00 0.13 0.00 0.00 57.88 58.28 1a7m h LEU 40 Cb 0.26 0.71 -0.06 0.00 -0.53 0.00 0.00 40.66 41.05 1a7m h LEU 40 CO 0.06 -0.32 -0.27 0.33 -0.13 0.00 0.00 178.44 178.10 1a7m n PHE 41 N -5.40 -0.20 -0.13 1.25 7.35 -1.00 0.15 117.46 119.48 1a7m n PHE 41 Ca 0.02 0.58 -0.08 0.00 -0.76 0.00 0.00 57.45 57.21 1a7m n PHE 41 Cb 0.35 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 39.69 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 1.13 0.00 -2.13 5.03 -0.83 -0.08 117.51 120.63 1a7m h ILE 42 Ca 0.07 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 1a7m h ILE 42 Cb 0.19 0.60 0.00 0.00 -3.03 0.00 0.00 36.82 34.58 1a7m h ILE 42 CO -0.43 0.14 0.00 0.28 -0.68 0.00 0.00 178.15 177.45 1a7m h SER 43 N 0.54 0.00 0.00 1.72 0.02 0.31 -2.32 113.55 113.83 1a7m h SER 43 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1a7m h SER 43 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1a7m h SER 43 CO -0.03 0.00 -0.48 0.00 -1.14 0.00 0.00 176.83 175.18 1a7m n TYR 44 N -2.45 0.73 0.34 3.45 9.36 0.40 -4.38 117.16 124.61 1a7m n TYR 44 Ca -0.00 0.32 0.10 0.00 3.32 0.00 0.00 57.90 61.63 1a7m n TYR 44 Cb 0.13 -0.68 0.45 0.00 -0.63 0.00 0.00 39.34 38.61 1a7m n TYR 44 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 1a7m n TYR 45 N -4.29 0.62 0.03 2.98 4.11 -0.14 -2.33 117.16 118.14 1a7m n TYR 45 Ca -0.07 0.26 -0.13 0.00 -0.00 0.00 0.00 57.90 57.97 1a7m n TYR 45 Cb 0.25 -0.92 -0.09 0.00 -0.00 0.00 0.00 39.34 38.58 1a7m n TYR 45 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1a7m h THR 46 N 0.00 1.18 -0.60 -3.48 1.35 -1.63 -3.16 112.91 106.57 1a7m h THR 46 Ca 0.00 -1.01 0.12 0.00 -0.55 0.00 0.00 66.41 64.98 1a7m h THR 46 Cb 0.25 1.82 -0.11 0.00 -1.73 0.00 0.00 68.15 68.38 1a7m h THR 46 CO 0.00 0.24 -0.09 0.00 -0.25 0.00 0.00 175.52 175.42 1a7m h ALA 47 N 0.29 0.47 -0.80 6.62 0.00 -1.67 -1.21 119.26 122.97 1a7m h ALA 47 Ca -0.01 0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.30 1a7m h ALA 47 Cb 0.48 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 18.52 1a7m h ALA 47 CO 0.02 -0.42 -0.11 1.04 0.00 0.00 0.00 179.25 179.78 1a7m n GLN 48 N -5.37 -0.07 0.00 0.00 3.00 -1.19 -4.88 117.38 108.87 1a7m n GLN 48 Ca 0.08 1.23 0.00 0.00 -0.01 0.00 0.00 57.00 58.30 1a7m n GLN 48 Cb 0.33 -1.89 0.00 0.00 0.00 0.00 0.00 30.24 28.68 1a7m n GLN 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a7m n GLY 49 N -1.46 0.83 3.90 1.08 0.00 -0.46 -5.01 105.19 104.07 1a7m n GLY 49 Ca 0.15 -2.26 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 1a7m n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a7m s GLU 50 N -1.05 3.56 -1.08 1.61 2.02 -1.26 -3.23 118.70 119.27 1a7m s GLU 50 Ca 0.00 0.22 -0.20 0.00 0.02 0.00 0.00 54.97 55.01 1a7m s GLU 50 Cb 0.00 -2.38 0.08 0.00 0.10 0.00 0.00 34.13 31.93 1a7m s GLU 50 CO 0.00 -0.19 1.45 -1.25 0.02 0.00 0.00 175.26 175.29 1a7m s PRO 51 N -4.68 3.71 0.00 0.39 0.04 -1.26 -5.06 135.00 128.14 1a7m s PRO 51 Ca 0.48 -1.53 0.00 0.00 0.04 0.00 0.00 61.00 59.99 1a7m s PRO 51 Cb -0.10 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1a7m s PRO 51 CO 0.44 -2.11 0.00 1.19 0.04 0.00 0.00 177.00 176.56 1a7m n PHE 52 N 8.12 0.00 0.00 0.56 3.72 -1.20 -4.17 117.46 124.48 1a7m n PHE 52 Ca 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.75 1a7m n PHE 52 Cb 0.49 0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1a7m n PHE 52 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1a7m n PRO 53 N -1.82 0.00 0.00 -1.08 -0.04 -1.26 0.12 135.00 130.92 1a7m n PRO 53 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1a7m n PRO 53 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1a7m n PRO 53 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1a7m n ASN 54 N -0.82 3.84 -0.31 3.54 0.23 -1.26 -4.80 115.26 115.67 1a7m n ASN 54 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 1a7m n ASN 54 Cb 0.00 0.05 0.08 0.00 -2.08 0.00 0.00 39.78 37.84 1a7m n ASN 54 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1a7m n ASN 55 N -2.37 2.48 -0.31 0.53 3.02 0.16 -4.64 115.26 114.13 1a7m n ASN 55 Ca 0.00 -2.06 0.13 0.00 -0.03 0.00 0.00 54.58 52.62 1a7m n ASN 55 Cb 0.47 -0.13 0.29 0.00 -0.61 0.00 0.00 39.78 39.79 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 0.96 -0.17 -0.99 3.41 8.10 0.79 0.34 115.31 127.74 1a7m h LEU 56 Ca 0.00 0.22 0.28 0.00 0.11 0.00 0.00 57.88 58.49 1a7m h LEU 56 Cb 0.65 0.34 -0.18 0.00 -0.44 0.00 0.00 40.66 41.02 1a7m h LEU 56 CO 0.01 -0.23 0.04 -0.78 -4.11 0.00 0.00 178.44 173.36 1a7m h ASP 57 N 0.12 -0.47 -0.02 0.17 1.82 -1.82 1.97 116.42 118.20 1a7m h ASP 57 Ca 0.56 0.28 0.00 0.00 -0.39 0.00 0.00 57.03 57.49 1a7m h ASP 57 Cb 1.16 0.49 0.00 0.00 0.68 0.00 0.00 39.33 41.65 1a7m h ASP 57 CO -0.74 -0.36 -0.08 2.29 -1.61 0.00 0.00 179.24 178.74 1a7m n LYS 58 N -5.49 1.23 -0.02 0.28 2.85 0.97 -4.36 118.16 113.62 1a7m n LYS 58 Ca 0.24 -1.18 0.03 0.00 -1.05 0.00 0.00 58.31 56.35 1a7m n LYS 58 Cb 0.78 -1.25 0.04 0.00 -0.65 0.00 0.00 35.03 33.95 1a7m n LYS 58 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1a7m n LEU 59 N 0.53 1.76 -0.01 -5.58 4.77 0.13 -4.54 117.00 114.06 1a7m n LEU 59 Ca 0.08 -1.23 0.01 0.00 -0.03 0.00 0.00 56.01 54.84 1a7m n LEU 59 Cb 0.34 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1a7m n LEU 59 CO 0.11 0.39 0.47 0.00 -1.33 0.00 0.00 177.39 177.03 1a7m n GLY 61 N -0.53 -0.20 2.10 0.00 0.00 -1.26 -3.63 105.19 101.66 1a7m n GLY 61 Ca 0.02 0.09 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1a7m n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a7m n PRO 62 N -2.21 1.10 0.00 1.61 -0.04 -1.26 -3.56 135.00 130.65 1a7m n PRO 62 Ca -0.05 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1a7m n PRO 62 Cb 0.19 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1a7m n PRO 62 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a7m n ASN 63 N 2.50 0.00 0.00 3.54 4.13 -1.26 -4.77 115.26 119.39 1a7m n ASN 63 Ca 0.21 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.47 1a7m n ASN 63 Cb 0.51 0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1a7m n ASN 63 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1a7m n VAL 64 N -2.45 0.00 -4.87 2.41 3.14 -1.23 -4.90 118.33 110.43 1a7m n VAL 64 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1a7m n VAL 64 Cb 0.00 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 1a7m n VAL 64 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1a7m n THR 65 N -2.31 0.00 -1.55 1.55 -1.04 -1.26 -2.80 114.28 106.88 1a7m n THR 65 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1a7m n THR 65 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.58 1a7m n THR 65 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1a7m n ASP 66 N -2.53 7.63 -4.93 8.00 9.92 -1.26 -4.95 116.55 128.43 1a7m n ASP 66 Ca 0.00 -3.80 -0.25 0.00 -0.53 0.00 0.00 54.79 50.21 1a7m n ASP 66 Cb 0.00 -1.02 0.02 0.00 -0.64 0.00 0.00 41.12 39.48 1a7m n ASP 66 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1a7m s PHE 67 N -3.89 3.27 -1.13 1.24 -0.71 -1.12 -4.60 117.98 111.03 1a7m s PHE 67 Ca 0.60 0.48 -0.21 0.00 -1.04 0.00 0.00 56.93 56.75 1a7m s PHE 67 Cb 0.48 -2.51 0.01 0.00 -1.21 0.00 0.00 43.02 39.79 1a7m s PHE 67 CO -0.17 -0.57 1.73 -1.25 -1.34 0.00 0.00 175.22 173.62 1a7m s PRO 68 N -4.78 3.35 -0.24 1.99 0.04 -1.26 -4.94 135.00 129.16 1a7m s PRO 68 Ca 0.51 -1.32 -0.22 0.00 0.04 0.00 0.00 61.00 60.01 1a7m s PRO 68 Cb -0.10 -5.36 -0.09 0.00 0.04 0.00 0.00 34.50 28.99 1a7m s PRO 68 CO 0.42 -2.77 0.99 -0.35 0.04 0.00 0.00 177.00 175.33 1a7m n PRO 69 N 8.59 0.00 -3.30 0.56 -0.04 -1.26 -4.88 135.00 134.67 1a7m n PRO 69 Ca 0.42 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.48 1a7m n PRO 69 Cb 0.48 -0.73 -0.08 0.00 -0.04 0.00 0.00 33.50 33.12 1a7m n PRO 69 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1a7m s PHE 70 N 2.61 3.25 -0.40 0.54 2.19 -1.26 -4.99 117.98 119.92 1a7m s PHE 70 Ca 0.57 0.48 0.08 0.00 0.33 0.00 0.00 56.93 58.39 1a7m s PHE 70 Cb -0.73 -2.68 0.24 0.00 -1.31 0.00 0.00 43.02 38.54 1a7m s PHE 70 CO 0.34 -0.29 0.51 0.72 1.83 0.00 0.00 175.22 178.33 1a7m n HIS 71 N 5.47 -0.29 -0.45 10.12 8.25 -1.26 -5.05 115.22 132.01 1a7m n HIS 71 Ca -0.06 -3.56 -0.00 0.00 -0.26 0.00 0.00 57.72 53.84 1a7m n HIS 71 Cb 0.50 -0.31 -0.00 0.00 1.12 0.00 0.00 29.99 31.30 1a7m n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a7m n ALA 72 N 1.51 0.23 -2.61 -1.41 0.00 -1.26 -4.65 120.51 112.31 1a7m n ALA 72 Ca 0.22 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 1a7m n ALA 72 Cb 0.52 -0.23 0.02 0.00 0.00 0.00 0.00 19.45 19.76 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 2.02 7.34 -3.80 0.00 5.15 -1.26 -4.73 115.26 119.98 1a7m n ASN 73 Ca 0.00 -3.63 -0.23 0.00 -0.60 0.00 0.00 54.58 50.12 1a7m n ASN 73 Cb 0.22 -1.19 -0.05 0.00 -0.53 0.00 0.00 39.78 38.23 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 0.19 -0.17 3.03 8.20 0.00 -1.26 -4.91 105.19 110.27 1a7m n GLY 74 Ca 0.47 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 1a7m n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a7m s THR 75 N -3.96 1.61 0.12 2.61 2.01 -1.26 -4.99 115.64 111.77 1a7m s THR 75 Ca 0.06 -0.66 -0.31 0.00 0.31 0.00 0.00 61.69 61.09 1a7m s THR 75 Cb -0.03 -1.49 -0.09 0.00 0.01 0.00 0.00 72.50 70.89 1a7m s THR 75 CO 0.69 0.46 1.59 -0.08 -0.69 0.00 0.00 174.62 176.59 1a7m h GLU 76 N 7.93 -0.60 -0.79 4.92 4.81 -1.99 0.37 114.58 129.23 1a7m h GLU 76 Ca -0.38 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.08 1a7m h GLU 76 Cb 1.14 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.61 1a7m h GLU 76 CO 0.53 -0.40 0.54 1.57 -0.73 0.00 0.00 179.01 180.52 1a7m h LYS 77 N -0.62 0.30 -0.04 1.92 2.10 -1.97 0.33 116.57 118.60 1a7m h LYS 77 Ca 0.03 -0.02 -0.09 0.00 -2.00 0.00 0.00 60.65 58.57 1a7m h LYS 77 Cb 0.67 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 31.94 1a7m h LYS 77 CO -0.28 0.20 -0.32 0.00 -2.00 0.00 0.00 179.45 177.04 1a7m h ALA 78 N 1.63 0.10 0.11 0.07 0.00 -0.84 0.58 119.26 120.91 1a7m h ALA 78 Ca 0.40 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a7m h ALA 78 Cb 1.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1a7m h ALA 78 CO -0.11 0.17 -0.06 0.87 0.00 0.00 0.00 179.25 180.12 1a7m h LYS 79 N -0.24 -0.16 -0.10 0.00 1.57 0.45 0.37 116.57 118.47 1a7m h LYS 79 Ca -0.03 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1a7m h LYS 79 Cb 1.00 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1a7m h LYS 79 CO 0.07 -0.10 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.70 1a7m h LEU 80 N -0.16 0.23 0.03 2.94 4.07 -0.43 -2.29 115.31 119.70 1a7m h LEU 80 Ca -0.01 -0.45 -0.21 0.00 0.08 0.00 0.00 57.88 57.28 1a7m h LEU 80 Cb 0.13 -0.06 0.02 0.00 1.08 0.00 0.00 40.66 41.82 1a7m h LEU 80 CO 0.02 0.63 -0.85 0.58 -1.08 0.00 0.00 178.44 177.74 1a7m h VAL 81 N -0.17 1.37 -0.63 1.22 2.07 0.18 0.40 116.25 120.68 1a7m h VAL 81 Ca 0.02 -2.22 0.02 0.00 0.82 0.00 0.00 66.70 65.34 1a7m h VAL 81 Cb 0.56 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 1a7m h VAL 81 CO 0.02 0.66 0.42 -0.33 0.02 0.00 0.00 177.57 178.36 1a7m h GLU 82 N 0.09 0.78 0.08 1.57 5.08 -0.32 0.16 114.58 122.01 1a7m h GLU 82 Ca -0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1a7m h GLU 82 Cb 1.54 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1a7m h GLU 82 CO 0.17 0.52 -0.04 1.25 -1.00 0.00 0.00 179.01 179.91 1a7m h LEU 83 N 0.80 -0.09 0.00 1.33 5.85 -1.24 0.38 115.31 122.35 1a7m h LEU 83 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1a7m h LEU 83 Cb -0.01 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1a7m h LEU 83 CO -0.06 -0.06 0.00 0.00 -0.34 0.00 0.00 178.44 177.98 1a7m n TYR 84 N -2.28 0.00 -0.14 1.25 4.19 0.12 0.53 117.16 120.82 1a7m n TYR 84 Ca -0.01 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.16 1a7m n TYR 84 Cb 0.04 -0.29 0.02 0.00 0.49 0.00 0.00 39.34 39.60 1a7m n TYR 84 CO 0.00 0.00 0.00 0.07 0.91 0.00 0.00 176.86 177.84 1a7m h ARG 85 N 0.00 -0.05 -0.51 2.98 0.11 -0.81 0.88 114.38 116.99 1a7m h ARG 85 Ca 0.00 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.16 1a7m h ARG 85 Cb 0.00 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.06 1a7m h ARG 85 CO 0.00 -0.03 0.34 1.98 0.10 0.00 0.00 179.97 182.36 1a7m h MET 86 N -0.05 0.36 0.00 0.08 4.05 0.16 -1.24 114.93 118.29 1a7m h MET 86 Ca 0.22 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1a7m h MET 86 Cb 0.38 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1a7m h MET 86 CO -0.49 0.24 -0.04 0.28 0.23 0.00 0.00 176.91 177.12 1a7m h VAL 87 N 0.37 0.00 -0.54 -5.77 2.07 0.18 -2.20 116.25 110.36 1a7m h VAL 87 Ca 0.23 -0.54 0.12 0.00 0.82 0.00 0.00 66.70 67.33 1a7m h VAL 87 Cb 0.42 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.09 1a7m h VAL 87 CO -0.06 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.46 1a7m n ALA 88 N -2.51 0.19 -0.05 1.67 0.00 0.29 0.19 120.51 120.28 1a7m n ALA 88 Ca -0.01 0.58 -0.14 0.00 0.00 0.00 0.00 53.44 53.88 1a7m n ALA 88 Cb 0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 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 0.02 0.03 0.00 -0.00 -1.36 -2.64 116.97 113.02 1a7m h TYR 89 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 59.01 1a7m h TYR 89 Cb 0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.23 1a7m h TYR 89 CO -0.35 0.86 -0.07 1.25 -0.00 0.00 0.00 178.16 179.85 1a7m h LEU 90 N -0.83 -0.21 -0.95 0.10 7.12 0.20 0.19 115.31 120.94 1a7m h LEU 90 Ca -0.00 0.02 0.16 0.00 0.13 0.00 0.00 57.88 58.18 1a7m h LEU 90 Cb 0.87 0.08 -0.16 0.00 -0.53 0.00 0.00 40.66 40.91 1a7m h LEU 90 CO 0.00 -0.08 -0.34 -1.54 -0.13 0.00 0.00 178.44 176.36 1a7m n SER 91 N -2.82 -0.55 -0.23 1.25 3.41 0.50 0.25 113.62 115.42 1a7m n SER 91 Ca -0.01 1.65 -0.04 0.00 -0.26 0.00 0.00 58.87 60.20 1a7m n SER 91 Cb 0.06 -0.40 0.06 0.00 -0.26 0.00 0.00 64.21 63.67 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 1.43 0.85 -0.30 7.33 0.00 -1.06 0.16 119.26 127.67 1a7m h ALA 92 Ca 0.36 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1a7m h ALA 92 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1a7m h ALA 92 CO -0.95 0.19 -0.25 0.77 0.00 0.00 0.00 179.25 179.02 1a7m h SER 93 N 0.83 0.74 -0.50 0.00 0.02 0.22 -2.22 113.55 112.64 1a7m h SER 93 Ca 0.26 -0.46 0.09 0.00 -0.84 0.00 0.00 61.79 60.84 1a7m h SER 93 Cb -0.02 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.24 1a7m h SER 93 CO -0.09 1.04 0.06 0.25 -1.14 0.00 0.00 176.83 176.94 1a7m h LEU 94 N 0.44 -0.09 -0.00 5.07 5.85 0.14 -0.69 115.31 126.03 1a7m h LEU 94 Ca 0.05 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1a7m h LEU 94 Cb 0.81 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1a7m h LEU 94 CO 0.06 -0.02 -0.13 0.74 -0.34 0.00 0.00 178.44 178.76 1a7m h THR 95 N 0.18 0.69 0.29 1.05 2.02 -0.49 -0.82 112.91 115.83 1a7m h THR 95 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1a7m h THR 95 Cb 0.36 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1a7m h THR 95 CO -0.37 0.00 -0.48 0.78 0.37 0.00 0.00 175.52 175.82 1a7m h ASN 96 N -0.21 -1.37 -0.97 4.18 2.35 -0.55 -1.80 115.58 117.22 1a7m h ASN 96 Ca 0.05 0.13 0.16 0.00 -0.55 0.00 0.00 56.30 56.09 1a7m h ASN 96 Cb 0.27 0.48 -0.09 0.00 0.05 0.00 0.00 38.32 39.03 1a7m h ASN 96 CO -0.13 -0.58 0.61 -0.29 -1.65 0.00 0.00 177.43 175.39 1a7m h ILE 97 N -0.83 0.80 0.04 2.81 6.09 -1.19 -2.75 117.51 122.48 1a7m h ILE 97 Ca -0.02 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 1a7m h ILE 97 Cb 0.78 -0.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.00 1a7m h ILE 97 CO -0.17 0.14 -0.18 0.74 -3.07 0.00 0.00 178.15 175.62 1a7m h THR 98 N 0.78 0.00 -0.51 2.19 2.02 -0.26 0.25 112.91 117.39 1a7m h THR 98 Ca 0.51 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.76 1a7m h THR 98 Cb 0.77 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.08 1a7m h THR 98 CO -0.28 0.00 -0.49 -0.09 0.37 0.00 0.00 175.52 175.02 1a7m h ARG 99 N -0.25 -0.29 -0.86 6.66 9.65 -1.32 0.21 114.38 128.18 1a7m h ARG 99 Ca -0.00 0.02 0.17 0.00 -1.10 0.00 0.00 59.98 59.07 1a7m h ARG 99 Cb 0.25 0.07 -0.16 0.00 -1.39 0.00 0.00 29.97 28.74 1a7m h ARG 99 CO -0.10 -0.19 -0.22 0.22 2.80 0.00 0.00 179.97 182.48 1a7m h ASP 100 N -0.30 -0.83 -0.11 -3.80 3.58 -1.24 0.12 116.42 113.83 1a7m h ASP 100 Ca 0.13 0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 1a7m h ASP 100 Cb 0.57 0.54 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 1a7m h ASP 100 CO -0.65 -0.28 0.03 1.56 -2.88 0.00 0.00 179.24 177.01 1a7m h GLN 101 N -0.00 0.18 -0.95 0.28 7.50 0.23 0.49 115.11 122.84 1a7m h GLN 101 Ca 0.41 -0.04 0.27 0.00 0.50 0.00 0.00 58.65 59.78 1a7m h GLN 101 Cb 0.62 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 28.09 1a7m h GLN 101 CO -0.88 0.35 0.67 -0.22 -1.50 0.00 0.00 178.83 177.25 1a7m h LYS 102 N -0.03 0.07 0.00 1.46 3.64 0.17 0.17 116.57 122.06 1a7m h LYS 102 Ca 0.04 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1a7m h LYS 102 Cb 0.25 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1a7m h LYS 102 CO 0.00 0.05 -1.66 0.28 -2.27 0.00 0.00 179.45 175.85 1a7m n VAL 103 N -4.31 0.96 0.07 2.00 0.31 -0.12 -4.41 118.33 112.83 1a7m n VAL 103 Ca 0.20 -0.68 -0.16 0.00 -0.01 0.00 0.00 64.34 63.69 1a7m n VAL 103 Cb 0.97 -0.53 -0.14 0.00 -0.91 0.00 0.00 33.84 33.23 1a7m n VAL 103 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1a7m h LEU 104 N 0.00 0.38 -7.67 7.52 3.38 0.27 -3.48 115.31 115.72 1a7m h LEU 104 Ca -0.19 -0.51 -0.24 0.00 0.09 0.00 0.00 57.88 57.03 1a7m h LEU 104 Cb 1.55 -0.12 -0.29 0.00 0.09 0.00 0.00 40.66 41.88 1a7m h LEU 104 CO 0.03 1.42 -0.71 0.21 0.09 0.00 0.00 178.44 179.48 1a7m s ASN 105 N -6.99 0.00 0.62 -0.43 3.84 -0.10 -5.04 114.94 106.86 1a7m s ASN 105 Ca -0.08 0.03 0.33 0.00 0.21 0.00 0.00 52.86 53.35 1a7m s ASN 105 Cb 0.07 0.01 1.83 0.00 -0.55 0.00 0.00 41.25 42.61 1a7m s ASN 105 CO 0.86 -0.03 2.13 1.55 -2.79 0.00 0.00 177.10 178.81 1a7m h PRO 106 N 6.41 0.00 0.00 0.43 0.13 -1.87 -0.44 132.00 136.66 1a7m h PRO 106 Ca -0.29 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.46 1a7m h PRO 106 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1a7m h PRO 106 CO 0.50 0.00 -2.41 0.45 -0.23 0.00 0.00 178.00 176.30 1a7m n SER 107 N -3.45 0.56 -0.30 1.44 2.88 -1.26 -4.28 113.62 109.20 1a7m n SER 107 Ca -0.00 -0.04 0.10 0.00 -1.33 0.00 0.00 58.87 57.59 1a7m n SER 107 Cb 0.28 0.61 0.26 0.00 -0.75 0.00 0.00 64.21 64.60 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 0.72 1.34 -0.86 -1.46 0.00 -1.36 0.31 119.26 117.95 1a7m h ALA 108 Ca -0.56 0.12 0.36 0.00 0.00 0.00 0.00 54.91 54.83 1a7m h ALA 108 Cb 2.15 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 19.84 1a7m h ALA 108 CO -0.00 -0.19 0.46 1.33 0.00 0.00 0.00 179.25 180.84 1a7m n VAL 109 N -4.94 -0.36 0.04 0.00 0.24 -1.03 0.13 118.33 112.39 1a7m n VAL 109 Ca 0.19 1.76 -0.10 0.00 -2.04 0.00 0.00 64.34 64.15 1a7m n VAL 109 Cb 0.52 -2.85 -0.07 0.00 -1.47 0.00 0.00 33.84 29.97 1a7m n VAL 109 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1a7m h SER 110 N 0.00 -0.16 -0.57 -1.34 0.87 -0.66 -2.76 113.55 108.94 1a7m h SER 110 Ca 0.73 -0.38 0.11 0.00 -1.23 0.00 0.00 61.79 61.02 1a7m h SER 110 Cb 1.93 0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 63.81 1a7m h SER 110 CO -0.67 0.43 -0.25 0.17 -0.53 0.00 0.00 176.83 175.99 1a7m h LEU 111 N -0.89 -0.87 -0.31 2.23 8.10 0.13 0.02 115.31 123.73 1a7m h LEU 111 Ca -0.02 0.20 0.05 0.00 0.11 0.00 0.00 57.88 58.22 1a7m h LEU 111 Cb 0.53 0.47 -0.05 0.00 -0.44 0.00 0.00 40.66 41.17 1a7m h LEU 111 CO 0.03 -0.26 0.01 1.12 -4.11 0.00 0.00 178.44 175.23 1a7m h HIS 112 N -0.11 0.01 -0.96 0.17 2.07 -0.84 -0.63 115.15 114.86 1a7m h HIS 112 Ca 0.25 0.02 0.16 0.00 -2.85 0.00 0.00 60.37 57.95 1a7m h HIS 112 Cb 0.51 0.04 -0.16 0.00 2.57 0.00 0.00 27.41 30.37 1a7m h HIS 112 CO -0.56 -0.04 -0.36 1.03 -3.07 0.00 0.00 177.93 174.94 1a7m h SER 113 N 0.11 -1.33 -0.72 3.10 0.87 -0.68 1.71 113.55 116.61 1a7m h SER 113 Ca 0.15 0.30 -0.05 0.00 -1.23 0.00 0.00 61.79 60.96 1a7m h SER 113 Cb 0.19 0.72 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 1a7m h SER 113 CO -0.23 -0.30 0.25 0.50 -0.53 0.00 0.00 176.83 176.52 1a7m h LYS 114 N -0.01 1.11 -0.25 2.24 3.64 -0.92 0.32 116.57 122.70 1a7m h LYS 114 Ca 0.36 -0.22 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1a7m h LYS 114 Cb 0.61 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1a7m h LYS 114 CO -0.97 0.93 0.18 1.25 -2.27 0.00 0.00 179.45 178.57 1a7m h LEU 115 N 1.07 0.00 -0.29 5.20 5.85 0.36 0.97 115.31 128.47 1a7m h LEU 115 Ca 0.24 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1a7m h LEU 115 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1a7m h LEU 115 CO -0.01 0.00 0.12 0.78 -0.34 0.00 0.00 178.44 178.99 1a7m h ASN 116 N 0.00 0.40 0.30 1.25 4.21 0.28 -2.29 115.58 119.72 1a7m h ASN 116 Ca 0.12 -0.16 -0.00 0.00 1.21 0.00 0.00 56.30 57.47 1a7m h ASN 116 Cb 0.47 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.54 1a7m h ASN 116 CO -0.00 0.44 -0.49 0.00 -1.29 0.00 0.00 177.43 176.09 1a7m h ALA 117 N 0.97 -1.06 -0.99 -0.83 0.00 -0.54 1.00 119.26 117.82 1a7m h ALA 117 Ca 0.10 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1a7m h ALA 117 Cb 0.17 0.80 -0.16 0.00 0.00 0.00 0.00 17.79 18.59 1a7m h ALA 117 CO -0.01 -1.13 -0.37 0.25 0.00 0.00 0.00 179.25 177.99 1a7m n THR 118 N -5.32 -0.51 -0.13 0.00 -2.24 -1.10 0.03 114.28 105.01 1a7m n THR 118 Ca -0.10 2.31 -0.08 0.00 -2.27 0.00 0.00 64.05 63.91 1a7m n THR 118 Cb 0.41 -3.07 -0.00 0.00 -2.10 0.00 0.00 70.33 65.58 1a7m n THR 118 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1a7m h ILE 119 N 0.00 1.14 -0.32 2.28 2.04 -0.96 -0.59 117.51 121.10 1a7m h ILE 119 Ca 0.36 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1a7m h ILE 119 Cb 0.60 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1a7m h ILE 119 CO -0.98 0.14 0.09 -0.78 0.00 0.00 0.00 178.15 176.62 1a7m h ASP 120 N 0.52 0.47 0.70 1.72 1.82 0.20 -1.04 116.42 120.81 1a7m h ASP 120 Ca 0.14 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1a7m h ASP 120 Cb 0.02 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 39.91 1a7m h ASP 120 CO -0.03 0.56 0.00 -0.37 -1.61 0.00 0.00 179.24 177.80 1a7m h VAL 121 N 0.36 0.00 0.00 2.25 -1.51 -0.28 -3.09 116.25 113.98 1a7m h VAL 121 Ca 0.10 -0.31 -0.04 0.00 -1.23 0.00 0.00 66.70 65.23 1a7m h VAL 121 Cb 0.26 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 1a7m h VAL 121 CO -0.00 0.00 -0.21 0.24 -1.23 0.00 0.00 177.57 176.37 1a7m h MET 122 N 0.00 0.00 -0.74 5.19 2.86 -0.08 -2.75 114.93 119.42 1a7m h MET 122 Ca 0.00 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 1a7m h MET 122 Cb 0.35 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.87 1a7m h MET 122 CO 0.00 0.82 -0.26 0.00 1.06 0.00 0.00 176.91 178.53 1a7m h ARG 123 N -1.00 -0.05 -0.07 1.72 3.08 -1.15 0.23 114.38 117.14 1a7m h ARG 123 Ca -0.05 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1a7m h ARG 123 Cb 0.89 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 1a7m h ARG 123 CO -0.03 -0.04 -0.08 0.78 -1.07 0.00 0.00 179.97 179.53 1a7m h GLY 124 N -0.06 -0.02 0.02 0.04 0.00 -1.68 -0.57 103.07 100.80 1a7m h GLY 124 Ca 0.32 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.82 1a7m h GLY 124 CO -0.78 -0.09 -0.26 -2.00 0.00 0.00 0.00 176.54 173.41 1a7m h LEU 125 N -0.10 -0.86 0.06 3.11 6.46 -0.40 0.27 115.31 123.85 1a7m h LEU 125 Ca 0.05 0.16 0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1a7m h LEU 125 Cb 0.18 0.41 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 1a7m h LEU 125 CO -0.13 -0.29 -0.31 -0.07 -0.62 0.00 0.00 178.44 177.03 1a7m h LEU 126 N -0.23 -0.90 -0.31 2.25 4.07 -0.26 0.24 115.31 120.17 1a7m h LEU 126 Ca 0.16 0.11 0.06 0.00 0.08 0.00 0.00 57.88 58.29 1a7m h LEU 126 Cb 0.48 0.35 -0.06 0.00 1.08 0.00 0.00 40.66 42.51 1a7m h LEU 126 CO -0.45 -0.38 -0.10 -1.28 -1.08 0.00 0.00 178.44 175.14 1a7m h SER 127 N -0.49 -0.36 -0.94 -0.43 0.87 -0.16 0.42 113.55 112.45 1a7m h SER 127 Ca 0.05 0.10 0.23 0.00 -1.23 0.00 0.00 61.79 60.93 1a7m h SER 127 Cb 0.55 0.22 -0.12 0.00 -0.44 0.00 0.00 62.40 62.61 1a7m h SER 127 CO -0.22 -0.13 0.49 0.78 -0.53 0.00 0.00 176.83 177.22 1a7m h ASN 128 N -0.04 0.51 0.33 6.23 2.35 0.36 0.79 115.58 126.12 1a7m h ASN 128 Ca 0.15 0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 1a7m h ASN 128 Cb 0.27 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1a7m h ASN 128 CO -0.34 0.06 -0.16 0.58 -1.65 0.00 0.00 177.43 175.93 1a7m h VAL 129 N 0.50 0.00 0.00 2.81 2.07 0.31 0.20 116.25 122.13 1a7m h VAL 129 Ca 0.59 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1a7m h VAL 129 Cb 1.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1a7m h VAL 129 CO -0.49 0.00 0.02 -0.11 0.02 0.00 0.00 177.57 177.01 1a7m n LEU 130 N -4.16 0.53 -0.08 2.57 -0.00 0.51 0.17 117.00 116.54 1a7m n LEU 130 Ca -0.06 0.74 -0.10 0.00 -0.00 0.00 0.00 56.01 56.60 1a7m n LEU 130 Cb 0.18 -0.80 -0.05 0.00 -0.00 0.00 0.00 43.42 42.75 1a7m n LEU 130 CO 0.13 -0.92 -0.40 0.00 -0.00 0.00 0.00 177.39 176.20 1a7m h ARG 132 N -1.00 0.52 -0.80 0.00 -0.00 0.14 -2.77 114.38 110.47 1a7m h ARG 132 Ca -0.11 -0.03 0.16 0.00 -0.50 0.00 0.00 59.98 59.50 1a7m h ARG 132 Cb 0.75 -0.12 -0.15 0.00 0.00 0.00 0.00 29.97 30.45 1a7m h ARG 132 CO -0.07 0.34 -0.21 -0.11 0.00 0.00 0.00 179.97 179.92 1a7m n LEU 133 N -4.84 -0.32 -0.19 3.04 7.94 0.13 -1.05 117.00 121.71 1a7m n LEU 133 Ca 0.03 1.38 0.00 0.00 -1.11 0.00 0.00 56.01 56.32 1a7m n LEU 133 Cb 0.08 -0.41 0.03 0.00 0.53 0.00 0.00 43.42 43.66 1a7m n LEU 133 CO 0.32 -1.32 0.30 0.00 -1.11 0.00 0.00 177.39 175.58 1a7m n ASN 135 N -4.75 -0.27 0.00 0.00 4.13 -0.22 -1.63 115.26 112.53 1a7m n ASN 135 Ca 0.06 1.30 0.00 0.00 1.68 0.00 0.00 54.58 57.62 1a7m n ASN 135 Cb 0.21 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 1a7m n ASN 135 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1a7m n LYS 136 N -5.23 0.69 -2.94 3.52 5.02 0.38 -4.83 118.16 114.77 1a7m n LYS 136 Ca 0.12 -0.70 -0.13 0.00 -2.02 0.00 0.00 58.31 55.58 1a7m n LYS 136 Cb 0.38 -0.75 0.03 0.00 -0.02 0.00 0.00 35.03 34.67 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 -0.15 -1.14 0.29 2.13 4.01 0.27 -4.93 117.16 117.63 1a7m n TYR 137 Ca 0.00 -2.97 0.11 0.00 -0.16 0.00 0.00 57.90 54.88 1a7m n TYR 137 Cb 0.27 0.53 -0.12 0.00 -0.31 0.00 0.00 39.34 39.71 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 0.24 0.47 0.00 -0.72 1.85 -0.64 -3.37 116.66 114.49 1a7m n ARG 138 Ca 0.15 -0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 1a7m n ARG 138 Cb 0.70 -1.55 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 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 -2.09 0.00 0.00 8.89 3.14 -1.26 -4.28 118.33 122.73 1a7m n VAL 139 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1a7m n VAL 139 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 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 -0.98 3.61 3.09 7.55 0.00 -1.26 -4.57 105.19 112.63 1a7m n GLY 140 Ca 0.00 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1a7m n GLY 140 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a7m n HIS 141 N 0.00 3.87 -0.05 1.61 8.25 -1.26 -3.97 115.22 123.66 1a7m n HIS 141 Ca 0.00 -2.97 -0.21 0.00 -0.26 0.00 0.00 57.72 54.28 1a7m n HIS 141 Cb 0.00 -2.32 -0.13 0.00 1.12 0.00 0.00 29.99 28.66 1a7m n HIS 141 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a7m h VAL 142 N 4.37 0.88 -1.32 1.59 3.04 -1.94 -3.51 116.25 119.35 1a7m h VAL 142 Ca 0.44 -2.27 0.15 0.00 -1.01 0.00 0.00 66.70 64.01 1a7m h VAL 142 Cb 0.73 2.43 -0.05 0.00 -2.01 0.00 0.00 31.29 32.38 1a7m h VAL 142 CO 1.60 0.56 -0.33 -0.67 -1.01 0.00 0.00 177.57 177.72 1a7m n ASP 143 N -4.07 -3.43 -3.20 3.17 2.03 -1.26 -4.83 116.55 104.95 1a7m n ASP 143 Ca -0.30 0.37 -0.24 0.00 0.52 0.00 0.00 54.79 55.15 1a7m n ASP 143 Cb 0.82 -1.83 -0.06 0.00 -0.72 0.00 0.00 41.12 39.34 1a7m n ASP 143 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1a7m n VAL 144 N -3.03 0.71 -0.78 5.18 0.31 -1.26 -4.89 118.33 114.56 1a7m n VAL 144 Ca -0.01 -4.67 -0.20 0.00 -0.01 0.00 0.00 64.34 59.45 1a7m n VAL 144 Cb 0.27 -1.49 -0.08 0.00 -0.91 0.00 0.00 33.84 31.63 1a7m n VAL 144 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1a7m n PRO 145 N 0.75 0.00 -1.51 5.55 -0.04 -1.26 -4.92 135.00 133.57 1a7m n PRO 145 Ca 0.26 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 1a7m n PRO 145 Cb 0.51 -0.74 0.21 0.00 -0.04 0.00 0.00 33.50 33.44 1a7m n PRO 145 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1a7m s PRO 146 N 4.53 -0.18 0.29 0.54 0.04 -1.26 -4.95 135.00 134.00 1a7m s PRO 146 Ca 0.70 -0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.56 1a7m s PRO 146 Cb -0.62 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1a7m s PRO 146 CO 0.26 -3.00 0.11 0.14 0.04 0.00 0.00 177.00 174.55 1a7m s VAL 147 N -3.44 0.59 0.00 -0.36 -7.23 -1.26 -4.98 120.40 103.72 1a7m s VAL 147 Ca 0.72 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1a7m s VAL 147 Cb -0.07 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1a7m s VAL 147 CO 0.54 0.00 0.00 -0.81 -0.31 0.00 0.00 175.10 174.52 1a7m n PRO 148 N -0.56 -0.55 0.00 4.82 -0.04 -1.26 -5.13 135.00 132.28 1a7m n PRO 148 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1a7m n PRO 148 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 1a7m n PRO 148 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a7m n ASP 149 N -2.80 0.00 -2.10 3.54 9.92 -1.26 -5.03 116.55 118.82 1a7m n ASP 149 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.21 1a7m n ASP 149 Cb 0.00 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.54 1a7m n ASP 149 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1a7m n HIS 150 N 0.00 1.29 -1.04 1.24 8.25 -1.26 -4.86 115.22 118.84 1a7m n HIS 150 Ca 0.00 -1.78 -0.15 0.00 -0.26 0.00 0.00 57.72 55.52 1a7m n HIS 150 Cb 0.00 -0.25 -0.15 0.00 1.12 0.00 0.00 29.99 30.71 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 -0.49 5.65 -0.04 0.41 2.88 -1.26 -3.23 113.62 117.54 1a7m n SER 151 Ca 0.18 -2.49 -0.07 0.00 -1.33 0.00 0.00 58.87 55.16 1a7m n SER 151 Cb 0.90 -1.44 -0.04 0.00 -0.75 0.00 0.00 64.21 62.89 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 2.61 2.39 -4.12 -3.46 2.03 -1.26 -5.01 116.55 109.72 1a7m n ASP 152 Ca 0.47 0.01 -0.18 0.00 0.52 0.00 0.00 54.79 55.61 1a7m n ASP 152 Cb 0.84 -0.18 -0.13 0.00 -0.72 0.00 0.00 41.12 40.93 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 -2.16 0.81 0.00 -0.67 1.02 -1.20 -5.09 119.74 112.45 1a7m s LYS 153 Ca -0.12 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1a7m s LYS 153 Cb 0.04 -0.78 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 1a7m s LYS 153 CO 0.18 0.19 0.00 0.39 -0.92 0.00 0.00 175.35 175.18 1a7m n GLU 154 N 1.79 0.00 -0.25 1.68 -0.58 -1.26 -2.23 120.64 119.79 1a7m n GLU 154 Ca -0.19 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.59 1a7m n GLU 154 Cb 0.55 -0.02 0.10 0.00 -0.57 0.00 0.00 31.44 31.50 1a7m n GLU 154 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1a7m n VAL 155 N 0.00 -0.30 -0.12 2.62 0.31 -1.26 0.17 118.33 119.76 1a7m n VAL 155 Ca 0.00 1.62 -0.07 0.00 -0.01 0.00 0.00 64.34 65.87 1a7m n VAL 155 Cb 0.00 -2.24 -0.06 0.00 -0.91 0.00 0.00 33.84 30.64 1a7m n VAL 155 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1a7m h PHE 156 N 0.00 -0.98 -0.76 3.52 -1.00 -1.98 -1.93 116.94 113.82 1a7m h PHE 156 Ca 0.34 0.05 0.14 0.00 2.81 0.00 0.00 57.97 61.31 1a7m h PHE 156 Cb 0.52 0.47 -0.14 0.00 3.61 0.00 0.00 35.95 40.41 1a7m h PHE 156 CO -0.54 -0.26 -0.30 0.37 -1.61 0.00 0.00 178.31 175.97 1a7m h GLN 157 N -0.17 -0.06 -0.13 1.51 4.15 0.22 0.77 115.11 121.40 1a7m h GLN 157 Ca 0.05 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.51 1a7m h GLN 157 Cb 0.31 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1a7m h GLN 157 CO -0.38 -0.04 0.21 -0.22 -1.93 0.00 0.00 178.83 176.47 1a7m h LYS 158 N -0.07 0.00 0.00 1.69 1.63 -0.85 0.50 116.57 119.47 1a7m h LYS 158 Ca 0.32 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.97 1a7m h LYS 158 Cb 0.58 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.18 1a7m h LYS 158 CO -0.80 0.00 -1.61 1.63 -3.45 0.00 0.00 179.45 175.22 1a7m n LYS 159 N -3.49 2.17 0.00 1.90 5.02 -0.01 -4.55 118.16 119.20 1a7m n LYS 159 Ca 0.00 -0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.40 1a7m n LYS 159 Cb 0.31 -1.24 0.23 0.00 -0.02 0.00 0.00 35.03 34.31 1a7m n LYS 159 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1a7m n LYS 160 N -2.27 0.18 -0.69 1.97 2.85 0.25 -4.17 118.16 116.28 1a7m n LYS 160 Ca -0.13 -0.11 0.51 0.00 -1.05 0.00 0.00 58.31 57.53 1a7m n LYS 160 Cb 0.72 -1.50 0.79 0.00 -0.65 0.00 0.00 35.03 34.40 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 -1.31 0.00 -0.11 -5.58 7.94 0.17 0.11 117.00 118.22 1a7m n LEU 161 Ca 0.07 0.96 -0.15 0.00 -1.11 0.00 0.00 56.01 55.77 1a7m n LEU 161 Cb 0.34 -0.48 -0.11 0.00 0.53 0.00 0.00 43.42 43.70 1a7m n LEU 161 CO 0.34 -0.96 -1.25 0.61 -1.11 0.00 0.00 177.39 175.03 1a7m n GLY 162 N -1.89 -0.38 0.49 -3.96 0.00 -1.26 -4.54 105.19 93.65 1a7m n GLY 162 Ca 0.43 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.07 0.00 0.08 0.00 4.15 -0.22 1.38 115.11 119.43 1a7m h GLN 164 Ca -0.09 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.02 1a7m h GLN 164 Cb 0.88 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 1a7m h GLN 164 CO 0.04 0.00 -1.74 1.28 -1.93 0.00 0.00 178.83 176.48 1a7m n LEU 165 N -3.72 2.35 -0.26 -2.39 4.32 -0.50 -3.65 117.00 113.15 1a7m n LEU 165 Ca 0.26 0.29 -0.03 0.00 -0.02 0.00 0.00 56.01 56.51 1a7m n LEU 165 Cb 1.42 -1.07 0.08 0.00 -1.62 0.00 0.00 43.42 42.24 1a7m n LEU 165 CO 0.33 0.64 1.16 -0.07 -1.22 0.00 0.00 177.39 178.24 1a7m h LEU 166 N -0.32 0.77 -0.64 2.23 -0.00 0.90 1.21 115.31 119.46 1a7m h LEU 166 Ca -0.40 -0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.57 1a7m h LEU 166 Cb 1.77 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 42.18 1a7m h LEU 166 CO -0.02 0.54 0.26 1.23 -0.00 0.00 0.00 178.44 180.45 1a7m h GLY 167 N 0.92 0.91 0.07 0.83 0.00 -1.02 0.27 103.07 105.05 1a7m h GLY 167 Ca 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1a7m h GLY 167 CO -0.10 0.00 -0.03 -0.91 0.00 0.00 0.00 176.54 175.50 1a7m h THR 168 N 0.46 0.00 -0.49 4.70 1.35 -1.52 -3.21 112.91 114.20 1a7m h THR 168 Ca 0.32 -0.36 0.09 0.00 -0.55 0.00 0.00 66.41 65.91 1a7m h THR 168 Cb 0.38 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.71 1a7m h THR 168 CO -0.30 0.00 -0.14 0.00 -0.25 0.00 0.00 175.52 174.83 1a7m n TYR 169 N -3.26 0.14 0.33 4.73 9.36 0.41 0.18 117.16 129.05 1a7m n TYR 169 Ca -0.01 0.60 -0.17 0.00 3.32 0.00 0.00 57.90 61.64 1a7m n TYR 169 Cb 0.04 -0.76 -0.09 0.00 -0.63 0.00 0.00 39.34 37.90 1a7m n TYR 169 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1a7m h LYS 170 N 0.00 -0.77 -0.73 2.98 3.11 -0.56 0.80 116.57 121.41 1a7m h LYS 170 Ca 0.22 0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.11 1a7m h LYS 170 Cb 0.34 0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 31.71 1a7m h LYS 170 CO -0.50 -0.51 0.43 1.96 -2.81 0.00 0.00 179.45 178.02 1a7m h GLN 171 N -0.80 1.00 0.11 1.90 4.20 0.19 0.04 115.11 121.75 1a7m h GLN 171 Ca -0.08 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1a7m h GLN 171 Cb 0.61 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1a7m h GLN 171 CO 0.13 0.71 -0.05 -0.39 -0.67 0.00 0.00 178.83 178.56 1a7m h VAL 172 N 1.00 1.10 -0.55 -0.54 -1.51 -0.60 -3.14 116.25 112.01 1a7m h VAL 172 Ca 0.26 -1.10 0.11 0.00 -1.23 0.00 0.00 66.70 64.75 1a7m h VAL 172 Cb -0.02 1.77 -0.10 0.00 -2.13 0.00 0.00 31.29 30.81 1a7m h VAL 172 CO -0.05 0.25 -0.07 0.40 -1.23 0.00 0.00 177.57 176.88 1a7m h ILE 173 N -0.68 0.50 0.00 7.19 1.08 0.70 0.55 117.51 126.85 1a7m h ILE 173 Ca -0.01 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1a7m h ILE 173 Cb 0.53 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1a7m h ILE 173 CO 0.02 0.01 0.00 -1.54 -0.69 0.00 0.00 178.15 175.95 1a7m n SER 174 N -5.32 0.00 0.00 1.72 3.41 -0.01 -0.06 113.62 113.36 1a7m n SER 174 Ca 0.06 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 1a7m n SER 174 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.52 0.00 0.05 -3.33 0.31 0.15 -4.45 118.33 110.54 1a7m n VAL 175 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1a7m n VAL 175 Cb 0.00 -0.61 -0.14 0.00 -0.91 0.00 0.00 33.84 32.19 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 1.29 0.00 2.52 -1.51 0.24 -0.95 116.25 117.83 1a7m h VAL 176 Ca 0.00 -2.97 -0.01 0.00 -1.23 0.00 0.00 66.70 62.49 1a7m h VAL 176 Cb 0.86 2.75 -0.00 0.00 -2.13 0.00 0.00 31.29 32.77 1a7m h VAL 176 CO 0.00 0.82 -0.06 1.62 -1.23 0.00 0.00 177.57 178.72 1a7m h VAL 177 N 0.04 0.25 -0.25 7.19 3.04 -0.71 0.39 116.25 126.20 1a7m h VAL 177 Ca -0.18 -0.44 -0.03 0.00 -1.01 0.00 0.00 66.70 65.05 1a7m h VAL 177 Cb 1.95 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 32.56 1a7m h VAL 177 CO 0.15 0.06 -0.00 0.00 -1.01 0.00 0.00 177.57 176.76 1a7m n GLN 178 N -3.31 2.64 -0.09 4.17 3.00 -1.13 -4.46 117.38 118.20 1a7m n GLN 178 Ca -0.01 -2.87 -0.13 0.00 -0.01 0.00 0.00 57.00 53.98 1a7m n GLN 178 Cb 0.23 -1.82 -0.08 0.00 0.00 0.00 0.00 30.24 28.58 1a7m n GLN 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a7m n ALA 179 N -0.68 1.66 -0.55 -1.58 0.00 0.13 -4.93 120.51 114.58 1a7m n ALA 179 Ca 0.23 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1a7m n ALA 179 Cb 0.90 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.48 1a7m n ALA 179 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47