#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 0.01 -0.09 1.43 -0.04 -1.26 -4.54 135.00 130.51 1a7m n PRO 2 Ca 0.00 -1.00 -0.14 0.00 -0.04 0.00 0.00 63.50 62.32 1a7m n PRO 2 Cb 0.00 -2.55 -0.14 0.00 -0.04 0.00 0.00 33.50 30.76 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 10.02 1.40 -4.99 1.53 4.77 -1.26 -4.91 117.00 123.57 1a7m n LEU 3 Ca 0.41 0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 56.23 1a7m n LEU 3 Cb 0.41 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1a7m n LEU 3 CO 1.02 0.67 0.28 -2.16 -1.33 0.00 0.00 177.39 175.87 1a7m s PRO 4 N -2.52 2.68 0.20 3.23 0.04 -1.26 -5.02 135.00 132.34 1a7m s PRO 4 Ca -0.19 -0.94 -0.17 0.00 0.04 0.00 0.00 61.00 59.75 1a7m s PRO 4 Cb 0.07 -2.60 0.18 0.00 0.04 0.00 0.00 34.50 32.20 1a7m s PRO 4 CO 0.75 -0.52 1.62 0.82 0.04 0.00 0.00 177.00 179.70 1a7m h ILE 5 N 0.30 0.32 0.00 0.56 2.04 -1.99 -3.48 117.51 115.26 1a7m h ILE 5 Ca -0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1a7m h ILE 5 Cb 1.29 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1a7m h ILE 5 CO 0.50 0.00 0.00 0.41 0.00 0.00 0.00 178.15 179.06 1a7m n THR 6 N -5.42 0.00 -3.10 -0.27 -1.04 -1.26 -5.07 114.28 98.11 1a7m n THR 6 Ca 0.05 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.87 1a7m n THR 6 Cb 0.33 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.89 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 -4.60 2.36 -0.01 -2.82 0.04 -1.26 -5.09 135.00 123.62 1a7m s PRO 7 Ca 0.00 -1.62 -0.03 0.00 0.04 0.00 0.00 61.00 59.39 1a7m s PRO 7 Cb 0.00 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 1a7m s PRO 7 CO 0.00 -0.77 -0.06 1.55 0.04 0.00 0.00 177.00 177.76 1a7m n VAL 8 N -2.16 0.49 0.04 -0.36 3.14 -1.26 -5.04 118.33 113.17 1a7m n VAL 8 Ca 0.14 0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.77 1a7m n VAL 8 Cb 0.61 -1.49 0.00 0.00 -1.06 0.00 0.00 33.84 31.91 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 -3.02 0.30 0.00 6.55 5.03 -1.25 -5.09 115.26 117.78 1a7m n ASN 9 Ca -0.02 0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1a7m n ASN 9 Cb 0.09 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 1a7m n ASN 9 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a7m n ALA 10 N -2.95 1.11 -0.76 5.41 0.00 -1.25 -4.98 120.51 117.09 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 -0.11 0.02 0.09 0.00 -1.04 -1.26 -4.84 114.28 107.14 1a7m n THR 11 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1a7m n THR 11 Cb 0.00 1.70 0.00 0.00 -1.82 0.00 0.00 70.33 70.21 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 1.19 2.11 -2.31 0.00 0.00 -1.26 -4.59 120.51 115.65 1a7m n ALA 13 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1a7m n ALA 13 Cb 0.40 0.50 0.06 0.00 0.00 0.00 0.00 19.45 20.41 1a7m n ALA 13 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1a7m n ILE 14 N -2.56 0.50 0.00 0.00 -6.64 -0.90 -4.92 119.36 104.84 1a7m n ILE 14 Ca -0.00 -1.53 0.00 0.00 -1.77 0.00 0.00 62.75 59.45 1a7m n ILE 14 Cb 0.50 0.73 0.00 0.00 -1.44 0.00 0.00 39.64 39.43 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 0.13 0.00 -4.07 6.28 0.63 0.27 -4.89 116.66 115.01 1a7m n ARG 15 Ca 0.09 0.41 -0.11 0.00 -0.92 0.00 0.00 57.85 57.32 1a7m n ARG 15 Cb 1.05 -1.33 -0.11 0.00 0.45 0.00 0.00 32.46 32.52 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 -2.35 0.62 -0.72 -0.14 3.76 -1.26 -5.02 115.29 110.18 1a7m s HIS 16 Ca 0.00 -0.64 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 1a7m s HIS 16 Cb 0.00 -0.38 0.26 0.00 1.11 0.00 0.00 32.58 33.57 1a7m s HIS 16 CO 0.00 -0.14 2.26 -0.35 -0.85 0.00 0.00 174.74 175.66 1a7m n PRO 17 N 1.08 2.63 -4.70 8.40 -0.04 -1.26 -4.99 135.00 136.12 1a7m n PRO 17 Ca -0.20 -3.14 -0.33 0.00 -0.04 0.00 0.00 63.50 59.79 1a7m n PRO 17 Cb 0.56 -2.23 -0.12 0.00 -0.04 0.00 0.00 33.50 31.68 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 2.14 -0.22 0.00 0.00 8.25 -1.26 -4.84 115.22 119.29 1a7m n HIS 19 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1a7m n HIS 19 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 0.76 1.72 -1.41 0.00 -1.26 -4.95 105.19 100.04 1a7m n GLY 20 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1a7m n GLY 20 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a7m n ASN 21 N 0.00 0.09 0.00 1.61 2.85 -1.26 -5.05 115.26 113.51 1a7m n ASN 21 Ca 0.00 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1a7m n ASN 21 Cb 0.00 0.10 0.00 0.00 1.24 0.00 0.00 39.78 41.12 1a7m n ASN 21 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1a7m n LEU 22 N -2.99 0.00 -0.01 1.20 7.94 -1.26 -4.92 117.00 116.96 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 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 1a7m n LEU 22 CO 0.00 0.00 0.02 0.80 -1.11 0.00 0.00 177.39 177.10 1a7m n MET 23 N 0.00 -0.01 -0.10 1.96 1.56 -1.26 0.60 117.12 119.86 1a7m n MET 23 Ca 0.00 0.06 0.12 0.00 -0.27 0.00 0.00 57.70 57.61 1a7m n MET 23 Cb 0.00 -0.09 0.29 0.00 2.15 0.00 0.00 33.22 35.57 1a7m n MET 23 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1a7m n ASN 24 N -3.14 2.54 0.01 6.12 3.02 -1.26 -3.88 115.26 118.66 1a7m n ASN 24 Ca 0.00 -1.84 -0.07 0.00 -0.03 0.00 0.00 54.58 52.63 1a7m n ASN 24 Cb 0.01 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 1a7m n ASN 24 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1a7m h GLN 25 N 3.48 -0.13 0.00 3.52 -0.00 -0.26 -2.70 115.11 119.02 1a7m h GLN 25 Ca 0.00 0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.58 1a7m h GLN 25 Cb 0.76 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.26 1a7m h GLN 25 CO 0.00 0.24 -0.36 -0.84 0.00 0.00 0.00 178.83 177.87 1a7m h ILE 26 N -0.97 1.20 0.57 2.39 3.07 -1.67 -2.49 117.51 119.61 1a7m h ILE 26 Ca -0.01 -1.25 -0.02 0.00 1.55 0.00 0.00 64.86 65.12 1a7m h ILE 26 Cb 0.43 1.69 -0.00 0.00 -0.27 0.00 0.00 36.82 38.66 1a7m h ILE 26 CO 0.02 0.35 -0.34 0.50 -1.05 0.00 0.00 178.15 177.63 1a7m h LYS 27 N 0.00 -0.83 -0.74 0.16 3.64 -1.67 0.37 116.57 117.49 1a7m h LYS 27 Ca -0.00 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.56 1a7m h LYS 27 Cb 0.66 0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 32.58 1a7m h LYS 27 CO 0.05 -0.55 0.33 -0.91 -2.27 0.00 0.00 179.45 176.10 1a7m h ASN 28 N -0.86 0.37 0.28 4.20 2.35 -1.34 -0.91 115.58 119.68 1a7m h ASN 28 Ca -0.07 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1a7m h ASN 28 Cb 0.69 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1a7m h ASN 28 CO 0.08 0.18 -0.14 -0.61 -1.65 0.00 0.00 177.43 175.29 1a7m h GLN 29 N 0.52 -0.37 -0.95 0.81 4.15 -1.17 -3.14 115.11 114.96 1a7m h GLN 29 Ca 0.39 0.02 0.15 0.00 0.77 0.00 0.00 58.65 59.98 1a7m h GLN 29 Cb 0.53 0.08 -0.15 0.00 0.21 0.00 0.00 27.48 28.14 1a7m h GLN 29 CO -0.34 -0.02 -0.39 1.25 -1.93 0.00 0.00 178.83 177.39 1a7m h LEU 30 N -0.90 -1.44 -0.68 -2.39 7.12 0.00 0.27 115.31 117.29 1a7m h LEU 30 Ca -0.04 0.30 0.13 0.00 0.13 0.00 0.00 57.88 58.41 1a7m h LEU 30 Cb 0.51 0.75 -0.13 0.00 -0.53 0.00 0.00 40.66 41.26 1a7m h LEU 30 CO 0.06 -0.29 -0.21 0.00 -0.13 0.00 0.00 178.44 177.87 1a7m h ALA 31 N 1.31 0.35 -1.24 1.25 0.00 -1.21 0.79 119.26 120.51 1a7m h ALA 31 Ca 0.33 0.25 0.36 0.00 0.00 0.00 0.00 54.91 55.85 1a7m h ALA 31 Cb 0.59 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1a7m h ALA 31 CO -0.96 -0.47 0.91 0.37 0.00 0.00 0.00 179.25 179.10 1a7m h GLN 32 N -0.04 0.00 0.00 0.00 4.15 -0.41 0.72 115.11 119.54 1a7m h GLN 32 Ca 0.32 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.47 1a7m h GLN 32 Cb 0.53 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1a7m h GLN 32 CO -0.72 0.00 -1.46 1.28 -1.93 0.00 0.00 178.83 176.00 1a7m n LEU 33 N -4.12 1.88 -0.32 -2.39 4.77 0.23 -4.30 117.00 112.74 1a7m n LEU 33 Ca 0.27 0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 56.60 1a7m n LEU 33 Cb 1.31 -0.93 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1a7m n LEU 33 CO 0.40 0.30 0.40 -3.20 -1.33 0.00 0.00 177.39 173.96 1a7m n ASN 34 N -4.41 -0.72 -0.34 -1.43 5.15 0.12 0.17 115.26 113.81 1a7m n ASN 34 Ca -0.35 1.37 0.13 0.00 -0.60 0.00 0.00 54.58 55.13 1a7m n ASN 34 Cb 0.70 -0.22 0.27 0.00 -0.53 0.00 0.00 39.78 40.00 1a7m n ASN 34 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1a7m h GLY 35 N 0.00 1.18 1.51 8.20 0.00 -1.54 0.68 103.07 113.10 1a7m h GLY 35 Ca 0.17 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 1a7m h GLY 35 CO -0.74 -0.49 -0.72 1.76 0.00 0.00 0.00 176.54 176.34 1a7m h SER 36 N 0.01 0.00 -1.01 0.19 0.02 0.16 -1.47 113.55 111.45 1a7m h SER 36 Ca 0.58 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 61.78 1a7m h SER 36 Cb 1.17 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1a7m h SER 36 CO -0.93 0.27 0.66 0.00 -1.14 0.00 0.00 176.83 175.69 1a7m h ALA 37 N 1.73 2.24 0.04 3.77 0.00 0.54 2.95 119.26 130.53 1a7m h ALA 37 Ca -0.04 0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.58 1a7m h ALA 37 Cb 1.24 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1a7m h ALA 37 CO 0.03 -0.60 -1.97 -1.71 0.00 0.00 0.00 179.25 175.00 1a7m n ASN 38 N -4.58 1.30 -0.02 0.00 4.05 -1.01 -3.58 115.26 111.42 1a7m n ASN 38 Ca 0.24 0.24 -0.00 0.00 0.45 0.00 0.00 54.58 55.50 1a7m n ASN 38 Cb 0.83 -0.24 -0.00 0.00 1.23 0.00 0.00 39.78 41.60 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 0.59 0.00 -0.92 5.20 0.00 0.99 -3.30 119.26 121.81 1a7m h ALA 39 Ca -0.39 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.56 1a7m h ALA 39 Cb 2.04 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.74 1a7m h ALA 39 CO 0.06 0.05 -0.38 -0.11 0.00 0.00 0.00 179.25 178.87 1a7m n LEU 40 N -3.24 -0.64 -0.23 0.00 -0.00 0.94 0.97 117.00 114.80 1a7m n LEU 40 Ca -0.01 1.61 0.01 0.00 -0.00 0.00 0.00 56.01 57.62 1a7m n LEU 40 Cb 0.03 -0.35 0.05 0.00 -0.00 0.00 0.00 43.42 43.14 1a7m n LEU 40 CO 0.01 -1.43 0.37 0.33 -0.00 0.00 0.00 177.39 176.67 1a7m n PHE 41 N -5.34 0.09 0.09 1.96 7.35 -0.88 0.15 117.46 120.88 1a7m n PHE 41 Ca 0.09 0.75 -0.22 0.00 -0.76 0.00 0.00 57.45 57.31 1a7m n PHE 41 Cb 0.36 -0.77 -0.13 0.00 0.35 0.00 0.00 39.48 39.28 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 1.30 0.00 -2.13 5.03 0.52 -0.91 117.51 121.32 1a7m h ILE 42 Ca 0.24 -2.45 0.00 0.00 -0.12 0.00 0.00 64.86 62.53 1a7m h ILE 42 Cb 0.39 2.72 0.00 0.00 -3.03 0.00 0.00 36.82 36.91 1a7m h ILE 42 CO -0.61 0.74 0.00 -1.54 -0.68 0.00 0.00 178.15 176.06 1a7m n SER 43 N -3.83 0.00 -0.04 1.72 3.41 0.18 -2.27 113.62 112.79 1a7m n SER 43 Ca -0.14 -0.10 -0.03 0.00 -0.26 0.00 0.00 58.87 58.34 1a7m n SER 43 Cb 0.97 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.65 1a7m n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a7m n TYR 44 N -1.26 0.47 0.19 7.33 9.36 0.40 -4.30 117.16 129.35 1a7m n TYR 44 Ca 0.12 0.20 0.05 0.00 3.32 0.00 0.00 57.90 61.59 1a7m n TYR 44 Cb 0.18 -0.51 0.39 0.00 -0.63 0.00 0.00 39.34 38.76 1a7m n TYR 44 CO 0.00 0.00 0.00 0.10 0.22 0.00 0.00 176.86 177.18 1a7m h TYR 45 N -0.56 0.00 -0.14 2.98 -0.00 -1.20 -3.03 116.97 115.02 1a7m h TYR 45 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.76 1a7m h TYR 45 Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.01 1a7m h TYR 45 CO -0.13 0.36 -0.08 1.79 -0.00 0.00 0.00 178.16 180.09 1a7m h THR 46 N 0.00 0.74 0.00 -0.90 1.35 -1.68 0.56 112.91 112.98 1a7m h THR 46 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1a7m h THR 46 Cb 0.74 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1a7m h THR 46 CO 0.05 0.00 0.37 0.00 -0.25 0.00 0.00 175.52 175.69 1a7m h ALA 47 N 1.04 1.32 0.06 6.62 0.00 -1.72 0.72 119.26 127.31 1a7m h ALA 47 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 1a7m h ALA 47 Cb 0.20 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1a7m h ALA 47 CO -0.19 -0.32 -1.11 1.96 0.00 0.00 0.00 179.25 179.59 1a7m h GLN 48 N 0.00 0.54 0.00 0.00 1.08 -0.95 -3.41 115.11 112.37 1a7m h GLN 48 Ca 0.00 -0.66 0.00 0.00 -1.45 0.00 0.00 58.65 56.54 1a7m h GLN 48 Cb 0.74 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1a7m h GLN 48 CO 0.00 1.27 0.00 0.41 -0.95 0.00 0.00 178.83 179.56 1a7m n GLY 49 N 1.20 2.21 3.41 3.46 0.00 0.24 -5.03 105.19 110.69 1a7m n GLY 49 Ca -0.10 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1a7m n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a7m n GLU 50 N 2.00 0.10 -2.67 1.61 -0.58 -1.26 -4.01 120.64 115.83 1a7m n GLU 50 Ca 0.00 0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 1a7m n GLU 50 Cb 0.00 -1.74 -0.03 0.00 -0.57 0.00 0.00 31.44 29.10 1a7m n GLU 50 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1a7m s PRO 51 N -2.89 3.55 0.02 3.49 0.04 -1.26 -5.08 135.00 132.86 1a7m s PRO 51 Ca 0.61 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 60.42 1a7m s PRO 51 Cb -0.30 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1a7m s PRO 51 CO 0.63 -2.07 0.00 1.19 0.04 0.00 0.00 177.00 176.78 1a7m n PHE 52 N 8.25 -0.06 0.22 0.56 3.72 -1.26 -4.00 117.46 124.90 1a7m n PHE 52 Ca 0.27 0.01 0.05 0.00 -0.05 0.00 0.00 57.45 57.74 1a7m n PHE 52 Cb 0.50 0.09 0.29 0.00 -0.94 0.00 0.00 39.48 39.42 1a7m n PHE 52 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1a7m h PRO 53 N 0.00 0.00 0.00 -1.08 0.13 -1.90 1.07 132.00 130.22 1a7m h PRO 53 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 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 -1.52 0.09 -0.23 0.00 0.00 178.00 176.34 1a7m n ASN 54 N -2.19 2.50 -0.06 1.44 3.02 -1.26 -4.69 115.26 114.02 1a7m n ASN 54 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.56 1a7m n ASN 54 Cb 0.55 1.42 0.02 0.00 -0.61 0.00 0.00 39.78 41.15 1a7m n ASN 54 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a7m n ASN 55 N -1.94 1.26 -0.30 6.41 3.02 0.13 -4.72 115.26 119.12 1a7m n ASN 55 Ca -0.04 -1.87 0.15 0.00 -0.03 0.00 0.00 54.58 52.80 1a7m n ASN 55 Cb 0.35 -0.09 0.41 0.00 -0.61 0.00 0.00 39.78 39.84 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 0.62 -1.44 3.41 8.10 0.69 0.30 115.31 126.99 1a7m h LEU 56 Ca 0.00 0.07 0.19 0.00 0.11 0.00 0.00 57.88 58.25 1a7m h LEU 56 Cb 0.82 -0.05 -0.07 0.00 -0.44 0.00 0.00 40.66 40.92 1a7m h LEU 56 CO 0.00 0.24 0.59 -0.78 -4.11 0.00 0.00 178.44 174.39 1a7m h ASP 57 N 0.61 0.47 -0.01 0.17 1.82 -1.84 1.46 116.42 119.10 1a7m h ASP 57 Ca 0.52 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.20 1a7m h ASP 57 Cb 0.99 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.96 1a7m h ASP 57 CO -0.27 0.19 -0.36 0.29 -1.61 0.00 0.00 179.24 177.48 1a7m n LYS 58 N -4.54 2.19 0.00 0.28 5.02 0.76 -4.23 118.16 117.64 1a7m n LYS 58 Ca 0.19 -0.50 0.05 0.00 -2.02 0.00 0.00 58.31 56.03 1a7m n LYS 58 Cb 0.66 -1.15 0.02 0.00 -0.02 0.00 0.00 35.03 34.54 1a7m n LYS 58 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a7m n LEU 59 N -0.51 1.50 -0.81 -0.35 4.77 0.42 -4.55 117.00 117.47 1a7m n LEU 59 Ca 0.04 -0.88 0.05 0.00 -0.03 0.00 0.00 56.01 55.20 1a7m n LEU 59 Cb 0.25 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1a7m n LEU 59 CO 0.19 0.30 0.28 0.00 -1.33 0.00 0.00 177.39 176.83 1a7m n GLY 61 N -0.56 -0.10 1.99 0.00 0.00 -1.26 -2.43 105.19 102.83 1a7m n GLY 61 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.24 0.63 0.00 1.61 -0.04 -1.26 -2.97 135.00 131.73 1a7m n PRO 62 Ca -0.02 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1a7m n PRO 62 Cb 0.06 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 2.19 0.00 0.00 3.54 4.13 -1.25 -4.87 115.26 119.00 1a7m n ASN 63 Ca 0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1a7m n ASN 63 Cb 0.30 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 1a7m n ASN 63 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1a7m n VAL 64 N 0.00 0.00 -0.79 2.41 0.24 -1.26 -4.02 118.33 114.91 1a7m n VAL 64 Ca 0.00 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1a7m n VAL 64 Cb 0.00 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 1a7m n VAL 64 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1a7m n THR 65 N -0.06 0.00 -2.23 3.34 5.66 -1.26 -2.19 114.28 117.54 1a7m n THR 65 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1a7m n THR 65 Cb 0.04 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.84 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 -2.55 5.43 -5.00 1.09 2.03 -1.26 -5.03 116.55 111.25 1a7m n ASP 66 Ca 0.00 -3.75 -0.18 0.00 0.52 0.00 0.00 54.79 51.38 1a7m n ASP 66 Cb 0.00 -0.58 0.02 0.00 -0.72 0.00 0.00 41.12 39.84 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 -3.66 2.64 -0.19 -0.67 -0.71 -0.93 -4.96 117.98 109.49 1a7m s PHE 67 Ca 0.50 -0.39 -0.28 0.00 -1.04 0.00 0.00 56.93 55.72 1a7m s PHE 67 Cb 0.42 -2.41 -0.05 0.00 -1.21 0.00 0.00 43.02 39.76 1a7m s PHE 67 CO -0.18 -0.57 2.10 -1.25 -1.34 0.00 0.00 175.22 173.97 1a7m s PRO 68 N -4.44 3.35 -0.52 1.99 0.04 -1.26 -4.84 135.00 129.31 1a7m s PRO 68 Ca 0.56 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.45 1a7m s PRO 68 Cb -0.09 -4.30 -0.17 0.00 0.04 0.00 0.00 34.50 29.98 1a7m s PRO 68 CO 0.34 -1.86 1.77 -0.35 0.04 0.00 0.00 177.00 176.95 1a7m n PRO 69 N 8.47 1.08 -0.54 0.56 -0.04 -1.26 -4.85 135.00 138.42 1a7m n PRO 69 Ca 0.27 -1.40 -0.16 0.00 -0.04 0.00 0.00 63.50 62.17 1a7m n PRO 69 Cb 0.45 -2.61 -0.05 0.00 -0.04 0.00 0.00 33.50 31.24 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 6.86 0.22 -3.48 0.54 -0.00 -1.26 -4.85 117.46 115.49 1a7m n PHE 70 Ca 0.42 0.15 -0.28 0.00 -0.00 0.00 0.00 57.45 57.74 1a7m n PHE 70 Cb 0.30 -0.86 -0.13 0.00 -0.00 0.00 0.00 39.48 38.79 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 3.18 0.48 -0.38 -5.13 2.46 -1.26 -5.03 115.29 109.62 1a7m s HIS 71 Ca 0.49 -1.27 -0.06 0.00 0.47 0.00 0.00 55.06 54.69 1a7m s HIS 71 Cb -0.47 -0.86 -0.11 0.00 -0.13 0.00 0.00 32.58 31.01 1a7m s HIS 71 CO 0.18 -0.84 0.88 0.00 -2.47 0.00 0.00 174.74 172.49 1a7m n ALA 72 N 4.51 0.33 -2.24 1.58 0.00 -1.26 -4.62 120.51 118.81 1a7m n ALA 72 Ca 0.05 -0.25 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 1a7m n ALA 72 Cb 0.39 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.98 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 2.67 7.43 0.00 0.00 5.15 -1.26 -4.75 115.26 124.50 1a7m n ASN 73 Ca 0.25 -3.70 0.00 0.00 -0.60 0.00 0.00 54.58 50.53 1a7m n ASN 73 Cb 0.04 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.15 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 -0.12 1.76 0.00 8.20 0.00 -1.26 -4.70 105.19 109.07 1a7m n GLY 74 Ca 0.51 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1a7m n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a7m n THR 75 N 0.00 0.00 -0.27 2.61 5.66 -1.26 -4.93 114.28 116.09 1a7m n THR 75 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 1a7m n THR 75 Cb 0.00 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 68.89 1a7m n THR 75 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1a7m h GLU 76 N 0.00 0.02 -0.99 1.09 4.11 -1.97 1.14 114.58 117.98 1a7m h GLU 76 Ca 0.00 -0.00 0.30 0.00 0.07 0.00 0.00 59.36 59.73 1a7m h GLU 76 Cb 0.00 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.10 1a7m h GLU 76 CO 0.00 0.01 0.55 1.57 0.07 0.00 0.00 179.01 181.21 1a7m h LYS 77 N 0.02 0.36 0.12 1.06 2.10 -1.94 0.54 116.57 118.82 1a7m h LYS 77 Ca 0.38 -0.02 -0.35 0.00 -2.00 0.00 0.00 60.65 58.66 1a7m h LYS 77 Cb 0.61 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.84 1a7m h LYS 77 CO -0.77 0.24 -1.90 0.00 -2.00 0.00 0.00 179.45 175.02 1a7m h ALA 78 N 1.82 0.43 -0.77 0.07 0.00 0.81 -2.61 119.26 119.02 1a7m h ALA 78 Ca 0.70 -1.35 0.01 0.00 0.00 0.00 0.00 54.91 54.27 1a7m h ALA 78 Cb 1.54 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.91 1a7m h ALA 78 CO -0.58 1.30 0.51 0.87 0.00 0.00 0.00 179.25 181.34 1a7m h LYS 79 N 0.07 1.01 0.08 0.00 1.57 0.84 -0.13 116.57 120.02 1a7m h LYS 79 Ca -0.38 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.20 1a7m h LYS 79 Cb 2.04 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 34.14 1a7m h LYS 79 CO 0.11 0.67 -0.57 -0.07 -0.57 0.00 0.00 179.45 179.02 1a7m h LEU 80 N 1.04 0.36 -0.25 2.94 3.38 -0.12 -2.57 115.31 120.08 1a7m h LEU 80 Ca 0.28 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 1a7m h LEU 80 Cb -0.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1a7m h LEU 80 CO -0.06 1.25 0.10 0.58 0.09 0.00 0.00 178.44 180.40 1a7m h VAL 81 N -0.47 1.17 -0.79 1.22 2.07 -1.37 0.32 116.25 118.39 1a7m h VAL 81 Ca -0.09 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1a7m h VAL 81 Cb 1.41 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1a7m h VAL 81 CO 0.11 0.17 0.33 -0.33 0.02 0.00 0.00 177.57 177.86 1a7m h GLU 82 N 0.26 1.17 0.23 1.57 5.08 -1.16 -0.89 114.58 120.85 1a7m h GLU 82 Ca 0.08 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1a7m h GLU 82 Cb 0.17 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1a7m h GLU 82 CO -0.01 0.95 -0.13 1.25 -1.00 0.00 0.00 179.01 180.07 1a7m h LEU 83 N 1.14 -0.32 0.00 1.33 7.12 -1.09 -1.29 115.31 122.21 1a7m h LEU 83 Ca 0.26 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1a7m h LEU 83 Cb 0.20 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 1a7m h LEU 83 CO -0.02 -0.20 0.00 0.00 -0.13 0.00 0.00 178.44 178.08 1a7m n TYR 84 N -3.00 0.00 -0.16 1.25 4.19 0.11 -0.52 117.16 119.03 1a7m n TYR 84 Ca -0.04 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.13 1a7m n TYR 84 Cb 0.13 -0.21 0.02 0.00 0.49 0.00 0.00 39.34 39.77 1a7m n TYR 84 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 1a7m h ARG 85 N 0.00 -0.11 -0.49 2.98 2.43 -1.24 0.58 114.38 118.52 1a7m h ARG 85 Ca 0.00 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 1a7m h ARG 85 Cb 0.00 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.48 1a7m h ARG 85 CO 0.00 -0.08 -0.21 1.98 -1.51 0.00 0.00 179.97 180.15 1a7m h MET 86 N -0.12 -0.10 -0.10 0.20 4.05 0.21 0.24 114.93 119.31 1a7m h MET 86 Ca 0.23 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.56 1a7m h MET 86 Cb 0.48 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1a7m h MET 86 CO -0.57 -0.06 -0.36 0.28 0.23 0.00 0.00 176.91 176.42 1a7m h VAL 87 N -0.10 1.29 -0.05 -5.77 2.07 0.11 -0.16 116.25 113.63 1a7m h VAL 87 Ca 0.23 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1a7m h VAL 87 Cb 0.46 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1a7m h VAL 87 CO -0.56 0.41 -0.02 0.00 0.02 0.00 0.00 177.57 177.43 1a7m h ALA 88 N 1.45 0.06 -0.26 1.67 0.00 0.33 1.15 119.26 123.66 1a7m h ALA 88 Ca 0.02 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 1a7m h ALA 88 Cb 0.73 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1a7m h ALA 88 CO 0.05 -0.21 -0.55 0.10 0.00 0.00 0.00 179.25 178.65 1a7m h TYR 89 N -0.29 0.97 0.00 0.00 -0.00 -1.03 -1.52 116.97 115.11 1a7m h TYR 89 Ca 0.01 -0.35 0.00 0.00 -0.00 0.00 0.00 58.73 58.39 1a7m h TYR 89 Cb 0.44 -0.18 0.00 0.00 -0.00 0.00 0.00 36.73 36.98 1a7m h TYR 89 CO 0.06 1.15 0.00 -0.11 -0.00 0.00 0.00 178.16 179.26 1a7m n LEU 90 N -3.99 0.00 -0.36 0.10 -0.00 -0.08 0.10 117.00 112.77 1a7m n LEU 90 Ca -0.04 0.83 -0.06 0.00 -0.00 0.00 0.00 56.01 56.74 1a7m n LEU 90 Cb 0.62 -0.33 -0.03 0.00 -0.00 0.00 0.00 43.42 43.68 1a7m n LEU 90 CO 0.49 -0.33 0.47 -0.24 -0.00 0.00 0.00 177.39 177.78 1a7m n SER 91 N -1.62 -0.78 -0.30 1.96 2.88 0.39 0.12 113.62 116.28 1a7m n SER 91 Ca 0.00 1.57 0.12 0.00 -1.33 0.00 0.00 58.87 59.23 1a7m n SER 91 Cb 0.00 -0.27 0.36 0.00 -0.75 0.00 0.00 64.21 63.55 1a7m n SER 91 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a7m h ALA 92 N 0.79 1.79 -0.00 -1.46 0.00 -1.10 0.55 119.26 119.82 1a7m h ALA 92 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1a7m h ALA 92 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a7m h ALA 92 CO -0.86 -0.05 -0.22 0.45 0.00 0.00 0.00 179.25 178.57 1a7m n SER 93 N -4.59 0.54 -0.05 0.00 2.88 0.30 -2.00 113.62 110.70 1a7m n SER 93 Ca 0.19 -0.43 -0.14 0.00 -1.33 0.00 0.00 58.87 57.16 1a7m n SER 93 Cb 0.48 -0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.80 1a7m n SER 93 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1a7m n LEU 94 N -1.09 1.54 0.05 2.46 7.94 0.33 -4.21 117.00 124.02 1a7m n LEU 94 Ca 0.11 0.19 -0.22 0.00 -1.11 0.00 0.00 56.01 54.97 1a7m n LEU 94 Cb 0.32 -0.31 -0.15 0.00 0.53 0.00 0.00 43.42 43.81 1a7m n LEU 94 CO 0.27 0.63 -0.63 0.74 -1.11 0.00 0.00 177.39 177.30 1a7m h THR 95 N 0.02 0.83 -0.63 1.96 2.02 -0.07 -2.80 112.91 114.25 1a7m h THR 95 Ca -0.43 -2.46 0.09 0.00 0.77 0.00 0.00 66.41 64.38 1a7m h THR 95 Cb 2.05 2.67 -0.07 0.00 -1.74 0.00 0.00 68.15 71.06 1a7m h THR 95 CO 0.05 0.87 0.25 -0.55 0.37 0.00 0.00 175.52 176.51 1a7m h ASN 96 N 0.09 0.27 -0.50 4.18 -1.07 -1.64 0.54 115.58 117.46 1a7m h ASN 96 Ca -0.37 0.07 -0.09 0.00 0.07 0.00 0.00 56.30 55.99 1a7m h ASN 96 Cb 2.08 0.04 -0.02 0.00 -2.07 0.00 0.00 38.32 38.35 1a7m h ASN 96 CO 0.15 0.16 -0.03 -0.29 0.07 0.00 0.00 177.43 177.48 1a7m h ILE 97 N 0.44 1.27 -0.89 6.14 2.10 -1.80 -2.87 117.51 121.90 1a7m h ILE 97 Ca 0.31 -1.13 0.23 0.00 1.08 0.00 0.00 64.86 65.36 1a7m h ILE 97 Cb 0.38 1.00 -0.17 0.00 -1.09 0.00 0.00 36.82 36.94 1a7m h ILE 97 CO -0.30 0.39 -0.03 0.41 -1.08 0.00 0.00 178.15 177.55 1a7m n THR 98 N -4.29 -0.38 0.05 2.19 -1.04 0.17 0.35 114.28 111.33 1a7m n THR 98 Ca 0.01 1.98 -0.20 0.00 -2.04 0.00 0.00 64.05 63.80 1a7m n THR 98 Cb 0.34 -2.87 -0.13 0.00 -1.82 0.00 0.00 70.33 65.85 1a7m n THR 98 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1a7m h ARG 99 N 0.00 0.45 -0.75 -2.82 0.11 -1.48 -1.85 114.38 108.05 1a7m h ARG 99 Ca 0.52 -0.59 0.17 0.00 0.10 0.00 0.00 59.98 60.18 1a7m h ARG 99 Cb 1.03 0.19 -0.12 0.00 1.11 0.00 0.00 29.97 32.18 1a7m h ARG 99 CO -0.86 1.24 0.07 0.22 0.10 0.00 0.00 179.97 180.74 1a7m h ASP 100 N -0.05 -0.21 -0.20 0.08 1.82 0.12 0.13 116.42 118.11 1a7m h ASP 100 Ca -0.13 0.18 -0.11 0.00 -0.39 0.00 0.00 57.03 56.58 1a7m h ASP 100 Cb 1.61 0.29 -0.00 0.00 0.68 0.00 0.00 39.33 41.91 1a7m h ASP 100 CO 0.17 -0.13 -0.30 1.56 -1.61 0.00 0.00 179.24 178.92 1a7m h GLN 101 N 0.16 0.56 -1.02 0.28 7.50 -0.66 0.12 115.11 122.06 1a7m h GLN 101 Ca 0.42 -0.34 0.27 0.00 0.50 0.00 0.00 58.65 59.50 1a7m h GLN 101 Cb 0.74 0.03 -0.07 0.00 0.05 0.00 0.00 27.48 28.23 1a7m h GLN 101 CO -0.61 0.94 0.68 -0.22 -1.50 0.00 0.00 178.83 178.12 1a7m h LYS 102 N 0.24 0.26 0.05 1.46 3.11 0.04 0.10 116.57 121.84 1a7m h LYS 102 Ca 0.02 -0.02 -0.33 0.00 -2.81 0.00 0.00 60.65 57.51 1a7m h LYS 102 Cb 0.88 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.01 1a7m h LYS 102 CO 0.07 0.17 -1.90 0.28 -2.81 0.00 0.00 179.45 175.26 1a7m n VAL 103 N -4.47 1.66 0.02 2.00 0.31 0.03 -4.38 118.33 113.49 1a7m n VAL 103 Ca 0.23 -0.74 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 1a7m n VAL 103 Cb 0.92 -1.28 0.02 0.00 -0.91 0.00 0.00 33.84 32.59 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 0.03 0.62 -7.90 7.52 -0.00 0.14 -3.47 115.31 112.25 1a7m h LEU 104 Ca -0.37 -0.38 -0.19 0.00 -0.00 0.00 0.00 57.88 56.94 1a7m h LEU 104 Cb 2.03 -0.18 -0.23 0.00 -0.00 0.00 0.00 40.66 42.28 1a7m h LEU 104 CO 0.07 1.13 -0.70 0.20 -0.00 0.00 0.00 178.44 179.14 1a7m s ASN 105 N -6.98 0.16 0.00 -0.43 -0.87 0.14 -4.98 114.94 101.98 1a7m s ASN 105 Ca -0.07 -0.34 0.12 0.00 -1.57 0.00 0.00 52.86 51.00 1a7m s ASN 105 Cb 0.10 0.08 0.66 0.00 -0.02 0.00 0.00 41.25 42.07 1a7m s ASN 105 CO 0.85 -0.21 1.18 -0.81 -2.57 0.00 0.00 177.10 175.54 1a7m n PRO 106 N 2.04 0.30 -0.00 -0.60 -0.04 -1.26 -0.75 135.00 134.69 1a7m n PRO 106 Ca -0.20 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.29 1a7m n PRO 106 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1a7m n PRO 106 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a7m n SER 107 N -1.10 0.46 -0.32 3.54 7.64 -1.26 -4.62 113.62 117.96 1a7m n SER 107 Ca 0.08 0.07 0.12 0.00 1.01 0.00 0.00 58.87 60.15 1a7m n SER 107 Cb 0.06 -0.16 0.31 0.00 -1.01 0.00 0.00 64.21 63.40 1a7m n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a7m h ALA 108 N -0.10 1.53 -1.03 -0.43 0.00 -1.77 0.47 119.26 117.93 1a7m h ALA 108 Ca -0.05 0.11 0.39 0.00 0.00 0.00 0.00 54.91 55.36 1a7m h ALA 108 Cb 0.81 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.46 1a7m h ALA 108 CO -0.03 -0.19 0.58 -0.24 0.00 0.00 0.00 179.25 179.37 1a7m h VAL 109 N 0.59 0.11 0.15 0.00 3.04 -1.07 1.05 116.25 120.11 1a7m h VAL 109 Ca 0.56 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 66.20 1a7m h VAL 109 Cb 0.95 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1a7m h VAL 109 CO -0.44 0.02 -0.07 -1.28 -1.01 0.00 0.00 177.57 174.79 1a7m h SER 110 N 0.11 -0.17 -0.96 3.17 0.87 -0.33 -2.78 113.55 113.46 1a7m h SER 110 Ca 0.81 -0.36 0.31 0.00 -1.23 0.00 0.00 61.79 61.32 1a7m h SER 110 Cb 2.10 0.04 -0.17 0.00 -0.44 0.00 0.00 62.40 63.94 1a7m h SER 110 CO -0.68 0.33 0.31 0.25 -0.53 0.00 0.00 176.83 176.51 1a7m h LEU 111 N -0.74 0.03 -0.28 2.23 6.46 0.13 0.59 115.31 123.73 1a7m h LEU 111 Ca -0.02 0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 57.94 1a7m h LEU 111 Cb 0.52 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1a7m h LEU 111 CO 0.03 -0.29 0.03 1.12 -0.62 0.00 0.00 178.44 178.72 1a7m h HIS 112 N 0.11 0.51 -0.95 1.25 2.07 -0.45 -2.10 115.15 115.60 1a7m h HIS 112 Ca 0.68 -0.08 0.13 0.00 -2.85 0.00 0.00 60.37 58.25 1a7m h HIS 112 Cb 1.55 -0.14 -0.15 0.00 2.57 0.00 0.00 27.41 31.24 1a7m h HIS 112 CO -0.22 0.59 -0.43 0.66 -3.07 0.00 0.00 177.93 175.46 1a7m h SER 113 N 0.28 -1.59 -0.52 3.10 4.64 0.47 0.76 113.55 120.69 1a7m h SER 113 Ca 0.08 0.31 0.10 0.00 -0.47 0.00 0.00 61.79 61.81 1a7m h SER 113 Cb 0.37 0.79 -0.10 0.00 -0.31 0.00 0.00 62.40 63.15 1a7m h SER 113 CO 0.01 -0.28 -0.11 0.11 -0.87 0.00 0.00 176.83 175.68 1a7m h LYS 114 N -0.03 0.01 -1.00 4.77 1.79 -1.27 0.36 116.57 121.21 1a7m h LYS 114 Ca 0.29 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.80 1a7m h LYS 114 Cb 0.55 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.14 1a7m h LYS 114 CO -0.94 0.01 0.65 1.25 -1.08 0.00 0.00 179.45 179.34 1a7m h LEU 115 N 0.01 1.07 -0.56 2.94 7.12 0.80 -1.78 115.31 124.91 1a7m h LEU 115 Ca 0.25 -0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.36 1a7m h LEU 115 Cb 0.39 -0.24 -0.08 0.00 -0.53 0.00 0.00 40.66 40.20 1a7m h LEU 115 CO -0.53 0.72 0.07 0.78 -0.13 0.00 0.00 178.44 179.36 1a7m h ASN 116 N 1.24 -0.09 0.47 1.25 4.21 0.24 0.10 115.58 123.01 1a7m h ASN 116 Ca 0.41 0.11 -0.02 0.00 1.21 0.00 0.00 56.30 58.01 1a7m h ASN 116 Cb 0.04 0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1a7m h ASN 116 CO -0.14 -0.02 -0.32 0.00 -1.29 0.00 0.00 177.43 175.66 1a7m h ALA 117 N 1.46 -1.12 -1.19 -0.83 0.00 -1.01 0.13 119.26 116.70 1a7m h ALA 117 Ca 0.29 -0.15 0.37 0.00 0.00 0.00 0.00 54.91 55.41 1a7m h ALA 117 Cb 0.43 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.55 1a7m h ALA 117 CO -0.41 -1.10 0.76 1.79 0.00 0.00 0.00 179.25 180.29 1a7m h THR 118 N -0.75 0.26 0.38 0.00 1.35 -1.10 0.28 112.91 113.34 1a7m h THR 118 Ca -0.06 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1a7m h THR 118 Cb 0.61 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1a7m h THR 118 CO 0.05 0.04 -0.18 0.40 -0.25 0.00 0.00 175.52 175.57 1a7m h ILE 119 N 0.20 0.00 -0.12 6.82 2.04 -0.15 -2.44 117.51 123.86 1a7m h ILE 119 Ca 0.74 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 66.28 1a7m h ILE 119 Cb 2.14 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 1a7m h ILE 119 CO -0.41 0.00 -0.28 -0.78 0.00 0.00 0.00 178.15 176.68 1a7m h ASP 120 N -0.88 -0.88 -0.87 1.72 1.82 0.80 0.44 116.42 118.57 1a7m h ASP 120 Ca -0.05 0.13 0.06 0.00 -0.39 0.00 0.00 57.03 56.78 1a7m h ASP 120 Cb 0.39 0.38 -0.06 0.00 0.68 0.00 0.00 39.33 40.72 1a7m h ASP 120 CO 0.09 -0.33 0.54 -0.37 -1.61 0.00 0.00 179.24 177.56 1a7m h VAL 121 N -0.36 1.05 -0.34 2.25 -1.51 -0.66 -1.59 116.25 115.08 1a7m h VAL 121 Ca 0.10 -0.34 -0.07 0.00 -1.23 0.00 0.00 66.70 65.15 1a7m h VAL 121 Cb 0.51 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.63 1a7m h VAL 121 CO -0.32 0.18 -0.08 0.24 -1.23 0.00 0.00 177.57 176.36 1a7m h MET 122 N 1.00 0.66 -0.72 5.19 2.86 -0.84 0.29 114.93 123.37 1a7m h MET 122 Ca 0.38 -0.25 0.16 0.00 -2.06 0.00 0.00 59.70 57.93 1a7m h MET 122 Cb 0.16 -0.04 -0.12 0.00 0.06 0.00 0.00 31.60 31.66 1a7m h MET 122 CO -0.17 0.82 0.01 -0.09 1.06 0.00 0.00 176.91 178.54 1a7m h ARG 123 N 0.45 0.11 -0.37 1.72 2.43 0.76 0.70 114.38 120.17 1a7m h ARG 123 Ca 0.09 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1a7m h ARG 123 Cb 0.58 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1a7m h ARG 123 CO 0.03 0.07 -0.09 0.78 -1.51 0.00 0.00 179.97 179.26 1a7m h GLY 124 N 0.11 0.78 0.16 2.80 0.00 -0.84 -0.84 103.07 105.24 1a7m h GLY 124 Ca 0.39 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1a7m h GLY 124 CO -0.62 0.58 -0.29 -2.00 0.00 0.00 0.00 176.54 174.21 1a7m h LEU 125 N 0.52 -0.83 -0.53 3.11 5.85 0.36 0.67 115.31 124.46 1a7m h LEU 125 Ca 0.10 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.00 1a7m h LEU 125 Cb 0.60 0.29 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 1a7m h LEU 125 CO 0.04 -0.33 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.49 1a7m h LEU 126 N -0.48 -0.85 -1.67 2.25 4.07 0.15 0.56 115.31 119.34 1a7m h LEU 126 Ca -0.02 0.19 0.13 0.00 0.08 0.00 0.00 57.88 58.27 1a7m h LEU 126 Cb 0.45 0.46 -0.04 0.00 1.08 0.00 0.00 40.66 42.60 1a7m h LEU 126 CO -0.10 -0.26 0.45 -1.28 -1.08 0.00 0.00 178.44 176.16 1a7m h SER 127 N -0.12 0.31 -0.09 -0.43 0.87 -0.50 0.43 113.55 114.03 1a7m h SER 127 Ca 0.24 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.71 1a7m h SER 127 Cb 0.50 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1a7m h SER 127 CO -0.61 0.17 -0.34 0.78 -0.53 0.00 0.00 176.83 176.30 1a7m h ASN 128 N 0.34 0.46 0.78 6.23 2.35 0.51 -0.29 115.58 125.96 1a7m h ASN 128 Ca 0.32 -0.62 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 1a7m h ASN 128 Cb 0.78 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 1a7m h ASN 128 CO -0.08 1.01 -0.47 0.58 -1.65 0.00 0.00 177.43 176.81 1a7m h VAL 129 N -0.05 0.05 0.00 2.81 2.07 0.31 -0.11 116.25 121.32 1a7m h VAL 129 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1a7m h VAL 129 Cb 0.98 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1a7m h VAL 129 CO 0.07 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.95 1a7m h LEU 130 N -1.18 0.00 0.15 2.57 -0.00 -0.33 0.89 115.31 117.41 1a7m h LEU 130 Ca -0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.51 1a7m h LEU 130 Cb 0.94 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.63 1a7m h LEU 130 CO 0.11 0.00 -1.14 0.00 -0.00 0.00 0.00 178.44 177.41 1a7m h ARG 132 N 0.05 0.35 -1.80 0.00 9.65 0.22 -3.46 114.38 119.39 1a7m h ARG 132 Ca -0.18 -0.31 0.02 0.00 -1.10 0.00 0.00 59.98 58.41 1a7m h ARG 132 Cb 1.86 0.07 -0.24 0.00 -1.39 0.00 0.00 29.97 30.27 1a7m h ARG 132 CO 0.22 0.97 0.27 -0.48 2.80 0.00 0.00 179.97 183.75 1a7m s LEU 133 N -8.59 -0.63 0.00 3.80 -0.00 0.20 -4.71 118.68 108.76 1a7m s LEU 133 Ca -0.14 1.16 0.00 0.00 -0.00 0.00 0.00 54.13 55.15 1a7m s LEU 133 Cb 0.03 2.16 0.00 0.00 -0.00 0.00 0.00 46.19 48.38 1a7m s LEU 133 CO 0.78 -0.20 0.00 0.00 -0.00 0.00 0.00 176.35 176.94 1a7m n ASN 135 N -0.74 2.07 -2.75 0.00 2.85 -1.26 -3.71 115.26 111.71 1a7m n ASN 135 Ca 0.00 -0.02 -0.09 0.00 -0.11 0.00 0.00 54.58 54.36 1a7m n ASN 135 Cb 0.00 -0.47 0.08 0.00 1.24 0.00 0.00 39.78 40.63 1a7m n ASN 135 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1a7m n LYS 136 N -3.43 1.11 0.00 1.20 5.02 -1.26 -4.81 118.16 115.99 1a7m n LYS 136 Ca -0.44 -2.25 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 1a7m n LYS 136 Cb 0.92 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 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 -0.14 0.00 -2.58 2.13 4.01 -1.26 -4.15 117.16 115.17 1a7m n TYR 137 Ca 0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.50 1a7m n TYR 137 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.80 1a7m n TYR 137 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1a7m n ARG 138 N 0.00 3.42 0.02 -0.72 0.63 -1.26 -4.23 116.66 114.52 1a7m n ARG 138 Ca 0.00 -4.54 0.00 0.00 -0.92 0.00 0.00 57.85 52.39 1a7m n ARG 138 Cb 0.00 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 30.65 1a7m n ARG 138 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1a7m n VAL 139 N -0.39 0.16 0.00 5.15 3.14 -1.26 -5.07 118.33 120.06 1a7m n VAL 139 Ca 0.38 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.82 1a7m n VAL 139 Cb 0.52 -1.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 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 2.41 1.98 0.11 7.55 0.00 -1.26 -3.83 105.19 112.15 1a7m n GLY 140 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1a7m n GLY 140 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1a7m n HIS 141 N 0.00 0.00 -0.14 1.61 -0.00 -1.26 -3.85 115.22 111.57 1a7m n HIS 141 Ca 0.00 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.31 1a7m n HIS 141 Cb 0.00 -0.02 0.21 0.00 -0.12 0.00 0.00 29.99 30.06 1a7m n HIS 141 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1a7m n VAL 142 N 0.98 0.00 -0.40 3.57 3.14 -1.24 -4.80 118.33 119.58 1a7m n VAL 142 Ca 0.00 0.49 0.00 0.00 -2.96 0.00 0.00 64.34 61.87 1a7m n VAL 142 Cb 0.00 -0.85 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 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 -2.24 -2.55 -3.60 6.55 -0.08 -1.26 -4.92 116.55 108.46 1a7m n ASP 143 Ca 0.11 0.40 -0.28 0.00 -1.51 0.00 0.00 54.79 53.50 1a7m n ASP 143 Cb 0.62 -0.52 -0.12 0.00 2.34 0.00 0.00 41.12 43.45 1a7m n ASP 143 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1a7m s VAL 144 N -3.36 1.08 -0.95 5.18 1.01 -1.26 -4.85 120.40 117.24 1a7m s VAL 144 Ca 0.00 -2.68 -0.32 0.00 0.00 0.00 0.00 61.98 58.98 1a7m s VAL 144 Cb 0.00 -1.74 -0.22 0.00 0.00 0.00 0.00 36.38 34.42 1a7m s VAL 144 CO 0.00 -1.03 2.63 -0.81 0.00 0.00 0.00 175.10 175.89 1a7m n PRO 145 N 3.20 0.00 -1.08 2.72 -0.04 -1.26 -4.82 135.00 133.71 1a7m n PRO 145 Ca 0.17 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 1a7m n PRO 145 Cb 0.39 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 1a7m n PRO 145 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1a7m n PRO 146 N 8.33 1.49 -3.79 0.54 -0.04 -1.26 -4.83 135.00 135.45 1a7m n PRO 146 Ca 0.64 -1.77 -0.36 0.00 -0.04 0.00 0.00 63.50 61.98 1a7m n PRO 146 Cb 0.02 -2.85 -0.12 0.00 -0.04 0.00 0.00 33.50 30.52 1a7m n PRO 146 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a7m s VAL 147 N 4.91 3.22 -0.08 0.52 1.01 -1.26 -5.08 120.40 123.65 1a7m s VAL 147 Ca 0.55 -2.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.30 1a7m s VAL 147 Cb 0.14 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1a7m s VAL 147 CO 0.11 -0.69 0.30 -2.16 0.00 0.00 0.00 175.10 172.66 1a7m s PRO 148 N 1.08 3.87 -0.70 2.72 0.04 -1.26 -5.04 135.00 135.71 1a7m s PRO 148 Ca 0.09 0.18 0.05 0.00 0.04 0.00 0.00 61.00 61.35 1a7m s PRO 148 Cb -0.22 -3.27 0.17 0.00 0.04 0.00 0.00 34.50 31.22 1a7m s PRO 148 CO -0.04 0.60 0.50 -3.47 0.04 0.00 0.00 177.00 174.62 1a7m n ASP 149 N 2.33 2.95 -0.11 6.66 2.03 -1.26 -4.82 116.55 124.32 1a7m n ASP 149 Ca -0.15 -3.20 0.02 0.00 0.52 0.00 0.00 54.79 51.99 1a7m n ASP 149 Cb 0.53 -0.75 0.03 0.00 -0.72 0.00 0.00 41.12 40.21 1a7m n ASP 149 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a7m n HIS 150 N 1.95 0.00 -1.28 -0.67 1.44 -1.26 -4.79 115.22 110.61 1a7m n HIS 150 Ca 0.20 -0.40 -0.24 0.00 -2.01 0.00 0.00 57.72 55.28 1a7m n HIS 150 Cb 0.35 -0.06 -0.01 0.00 0.12 0.00 0.00 29.99 30.39 1a7m n HIS 150 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1a7m n SER 151 N -0.50 6.60 -0.07 4.39 3.41 -1.26 -3.97 113.62 122.21 1a7m n SER 151 Ca 0.04 -3.22 -0.10 0.00 -0.26 0.00 0.00 58.87 55.33 1a7m n SER 151 Cb 0.49 -1.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.22 1a7m n SER 151 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a7m n ASP 152 N 0.51 2.74 -4.21 4.04 5.75 -1.26 -5.03 116.55 119.09 1a7m n ASP 152 Ca 0.43 -0.07 -0.19 0.00 -0.01 0.00 0.00 54.79 54.95 1a7m n ASP 152 Cb 0.56 -0.12 -0.12 0.00 -1.03 0.00 0.00 41.12 40.41 1a7m n ASP 152 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a7m s LYS 153 N -2.30 0.93 0.00 0.11 -0.14 -1.25 -5.06 119.74 112.03 1a7m s LYS 153 Ca -0.19 -1.09 0.00 0.00 -1.36 0.00 0.00 55.97 53.33 1a7m s LYS 153 Cb 0.05 -0.93 0.00 0.00 -1.68 0.00 0.00 37.83 35.27 1a7m s LYS 153 CO 0.37 0.20 0.00 -1.91 -0.76 0.00 0.00 175.35 173.24 1a7m n GLU 154 N 0.97 0.00 -0.33 1.68 4.07 -1.26 -1.83 120.64 123.95 1a7m n GLU 154 Ca -0.19 0.00 0.20 0.00 -0.06 0.00 0.00 57.16 57.11 1a7m n GLU 154 Cb 0.55 0.00 0.37 0.00 -0.06 0.00 0.00 31.44 32.30 1a7m n GLU 154 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1a7m n VAL 155 N 0.00 -0.41 -0.08 6.31 0.31 -1.26 0.15 118.33 123.36 1a7m n VAL 155 Ca 0.00 2.08 -0.07 0.00 -0.01 0.00 0.00 64.34 66.35 1a7m n VAL 155 Cb 0.00 -3.14 -0.00 0.00 -0.91 0.00 0.00 33.84 29.78 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 -0.31 -0.08 3.52 -1.00 -1.98 0.17 116.94 117.25 1a7m h PHE 156 Ca 0.66 0.03 0.03 0.00 2.81 0.00 0.00 57.97 61.50 1a7m h PHE 156 Cb 1.51 0.18 -0.03 0.00 3.61 0.00 0.00 35.95 41.22 1a7m h PHE 156 CO -0.34 -0.20 -0.10 0.37 -1.61 0.00 0.00 178.31 176.42 1a7m h GLN 157 N -0.08 -0.13 -0.49 1.51 -0.00 0.22 1.64 115.11 117.78 1a7m h GLN 157 Ca 0.15 0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.91 1a7m h GLN 157 Cb 0.31 0.03 -0.09 0.00 0.00 0.00 0.00 27.48 27.73 1a7m h GLN 157 CO -0.35 -0.09 -0.13 0.87 0.00 0.00 0.00 178.83 179.12 1a7m h LYS 158 N -0.14 -0.01 0.05 1.69 1.79 -0.80 1.00 116.57 120.15 1a7m h LYS 158 Ca 0.07 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.17 1a7m h LYS 158 Cb 0.23 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.84 1a7m h LYS 158 CO -0.16 -0.01 -2.19 1.63 -1.08 0.00 0.00 179.45 177.63 1a7m n LYS 159 N -5.36 0.70 0.09 3.15 5.02 -0.04 -4.14 118.16 117.58 1a7m n LYS 159 Ca 0.04 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.65 1a7m n LYS 159 Cb 0.27 -1.63 0.45 0.00 -0.02 0.00 0.00 35.03 34.10 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 -3.29 0.18 -0.23 1.97 2.85 0.56 -4.16 118.16 116.03 1a7m n LYS 160 Ca -0.36 0.27 0.19 0.00 -1.05 0.00 0.00 58.31 57.36 1a7m n LYS 160 Cb 1.04 -1.77 0.31 0.00 -0.65 0.00 0.00 35.03 33.96 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 -2.09 0.07 -0.11 -5.58 0.00 0.34 0.11 117.00 109.74 1a7m n LEU 161 Ca 0.04 0.56 -0.16 0.00 0.00 0.00 0.00 56.01 56.45 1a7m n LEU 161 Cb 0.32 -0.28 -0.10 0.00 0.00 0.00 0.00 43.42 43.36 1a7m n LEU 161 CO 0.24 -0.60 -1.22 0.61 0.00 0.00 0.00 177.39 176.43 1a7m n GLY 162 N -1.27 -0.31 0.32 -3.96 0.00 -1.26 -4.57 105.19 94.15 1a7m n GLY 162 Ca 0.18 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.06 -0.19 0.00 4.15 -1.60 0.67 115.11 118.21 1a7m h GLN 164 Ca 0.38 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.81 1a7m h GLN 164 Cb 0.59 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 1a7m h GLN 164 CO -0.89 0.04 0.05 -0.07 -1.93 0.00 0.00 178.83 176.04 1a7m h LEU 165 N 0.07 0.04 -0.19 -2.39 -0.00 0.93 -2.22 115.31 111.54 1a7m h LEU 165 Ca 0.19 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 58.14 1a7m h LEU 165 Cb 0.29 0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.93 1a7m h LEU 165 CO -0.36 0.05 -0.05 -0.07 -0.00 0.00 0.00 178.44 178.02 1a7m h LEU 166 N 0.13 -0.17 -0.92 1.67 -0.00 0.15 0.42 115.31 116.59 1a7m h LEU 166 Ca 0.08 0.06 0.26 0.00 -0.00 0.00 0.00 57.88 58.28 1a7m h LEU 166 Cb 0.07 0.12 -0.16 0.00 -0.00 0.00 0.00 40.66 40.68 1a7m h LEU 166 CO -0.10 -0.06 0.18 1.23 -0.00 0.00 0.00 178.44 179.69 1a7m h GLY 167 N 0.00 1.39 0.00 0.83 0.00 -0.34 0.41 103.07 105.36 1a7m h GLY 167 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1a7m h GLY 167 CO -0.19 -0.46 -0.14 -0.91 0.00 0.00 0.00 176.54 174.84 1a7m h THR 168 N 0.11 0.33 -0.85 4.70 1.35 -1.27 -3.30 112.91 113.99 1a7m h THR 168 Ca 0.59 -1.27 0.19 0.00 -0.55 0.00 0.00 66.41 65.37 1a7m h THR 168 Cb 1.25 0.65 -0.16 0.00 -1.73 0.00 0.00 68.15 68.16 1a7m h THR 168 CO -0.76 0.11 -0.13 0.00 -0.25 0.00 0.00 175.52 174.49 1a7m n TYR 169 N -4.71 0.39 0.63 4.73 9.36 0.15 0.99 117.16 128.69 1a7m n TYR 169 Ca -0.04 1.04 0.09 0.00 3.32 0.00 0.00 57.90 62.30 1a7m n TYR 169 Cb 0.15 -1.05 0.39 0.00 -0.63 0.00 0.00 39.34 38.20 1a7m n TYR 169 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1a7m n LYS 170 N -5.33 0.00 -0.09 2.98 -0.00 0.14 0.89 118.16 116.75 1a7m n LYS 170 Ca 0.16 0.19 -0.12 0.00 -0.00 0.00 0.00 58.31 58.54 1a7m n LYS 170 Cb 0.51 -1.50 -0.10 0.00 -0.00 0.00 0.00 35.03 33.94 1a7m n LYS 170 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1a7m n GLN 171 N -1.51 0.76 -0.01 -1.58 7.27 0.28 -4.18 117.38 118.40 1a7m n GLN 171 Ca 0.04 0.08 -0.21 0.00 0.07 0.00 0.00 57.00 56.98 1a7m n GLN 171 Cb 0.21 -1.38 -0.13 0.00 2.41 0.00 0.00 30.24 31.35 1a7m n GLN 171 CO 0.00 0.00 0.00 -0.39 0.07 0.00 0.00 177.06 176.74 1a7m h VAL 172 N 0.00 0.96 -0.38 1.69 -1.51 -0.07 -3.35 116.25 113.59 1a7m h VAL 172 Ca -0.42 -2.35 0.08 0.00 -1.23 0.00 0.00 66.70 62.78 1a7m h VAL 172 Cb 1.73 2.62 -0.08 0.00 -2.13 0.00 0.00 31.29 33.42 1a7m h VAL 172 CO -0.04 0.67 -0.16 0.40 -1.23 0.00 0.00 177.57 177.20 1a7m h ILE 173 N -0.38 0.49 0.00 7.19 1.08 0.34 0.36 117.51 126.59 1a7m h ILE 173 Ca -0.32 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1a7m h ILE 173 Cb 1.71 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 1a7m h ILE 173 CO 0.02 0.00 0.23 -1.54 -0.69 0.00 0.00 178.15 176.16 1a7m n SER 174 N -5.35 0.09 -0.06 1.72 3.41 -1.26 0.39 113.62 112.57 1a7m n SER 174 Ca 0.02 0.37 -0.06 0.00 -0.26 0.00 0.00 58.87 58.94 1a7m n SER 174 Cb 0.26 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.51 0.78 0.05 -3.33 0.31 0.10 -4.06 118.33 110.68 1a7m n VAL 175 Ca -0.00 -0.45 -0.13 0.00 -0.01 0.00 0.00 64.34 63.74 1a7m n VAL 175 Cb 0.23 -0.75 -0.14 0.00 -0.91 0.00 0.00 33.84 32.28 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 1.28 0.00 2.52 -1.51 0.20 -1.21 116.25 117.53 1a7m h VAL 176 Ca -0.31 -2.96 0.00 0.00 -1.23 0.00 0.00 66.70 62.20 1a7m h VAL 176 Cb 1.67 2.75 0.00 0.00 -2.13 0.00 0.00 31.29 33.58 1a7m h VAL 176 CO 0.01 0.82 0.00 1.62 -1.23 0.00 0.00 177.57 178.78 1a7m h VAL 177 N 0.04 0.00 -0.17 7.19 3.04 -0.31 0.44 116.25 126.48 1a7m h VAL 177 Ca -0.18 -0.21 -0.06 0.00 -1.01 0.00 0.00 66.70 65.24 1a7m h VAL 177 Cb 1.95 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 32.27 1a7m h VAL 177 CO 0.15 0.00 -0.13 1.67 -1.01 0.00 0.00 177.57 178.25 1a7m n GLN 178 N -2.80 1.89 -0.05 4.17 7.27 -1.04 -4.52 117.38 122.30 1a7m n GLN 178 Ca -0.01 -2.99 -0.07 0.00 0.07 0.00 0.00 57.00 54.01 1a7m n GLN 178 Cb 0.17 -1.70 -0.06 0.00 2.41 0.00 0.00 30.24 31.06 1a7m n GLN 178 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1a7m n ALA 179 N -1.07 1.75 -0.41 1.69 0.00 0.15 -4.93 120.51 117.69 1a7m n ALA 179 Ca 0.23 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1a7m n ALA 179 Cb 0.83 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.45 1a7m n ALA 179 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47