#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a7m s PRO 2 N 0.00 1.52 -0.88 1.43 0.04 -1.26 -4.85 135.00 131.01 1a7m s PRO 2 Ca 0.00 -0.53 -0.00 0.00 0.04 0.00 0.00 61.00 60.51 1a7m s PRO 2 Cb 0.00 -5.03 0.24 0.00 0.04 0.00 0.00 34.50 29.75 1a7m s PRO 2 CO 0.00 -5.06 0.87 1.28 0.04 0.00 0.00 177.00 174.14 1a7m n LEU 3 N 18.34 4.42 -2.97 -3.56 4.77 -1.26 -4.98 117.00 131.77 1a7m n LEU 3 Ca 0.43 -5.20 -0.16 0.00 -0.03 0.00 0.00 56.01 51.04 1a7m n LEU 3 Cb 0.47 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.49 1a7m n LEU 3 CO 0.61 1.68 1.93 -0.81 -1.33 0.00 0.00 177.39 179.46 1a7m n PRO 4 N 1.89 1.61 -0.09 3.23 -0.04 -1.26 -4.66 135.00 135.68 1a7m n PRO 4 Ca 0.24 -1.14 -0.06 0.00 -0.04 0.00 0.00 63.50 62.49 1a7m n PRO 4 Cb 0.37 -2.25 0.01 0.00 -0.04 0.00 0.00 33.50 31.59 1a7m n PRO 4 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1a7m h ILE 5 N 3.32 0.85 -3.57 0.52 2.04 -2.00 -3.35 117.51 115.32 1a7m h ILE 5 Ca 0.35 -0.07 -0.70 0.00 1.00 0.00 0.00 64.86 65.44 1a7m h ILE 5 Cb 0.26 0.64 -0.35 0.00 -0.74 0.00 0.00 36.82 36.62 1a7m h ILE 5 CO 1.17 0.04 -0.33 -0.89 0.00 0.00 0.00 178.15 178.14 1a7m s THR 6 N -6.17 3.85 0.81 -0.27 2.01 -1.26 -5.08 115.64 109.53 1a7m s THR 6 Ca -0.13 -2.97 -0.14 0.00 0.31 0.00 0.00 61.69 58.76 1a7m s THR 6 Cb 0.12 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 69.17 1a7m s THR 6 CO 0.71 -0.89 0.84 -0.81 -0.69 0.00 0.00 174.62 173.77 1a7m n PRO 7 N 3.47 0.11 0.02 4.92 -0.04 -1.26 -4.93 135.00 137.30 1a7m n PRO 7 Ca 0.09 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1a7m n PRO 7 Cb 0.38 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1a7m n PRO 7 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1a7m n VAL 8 N -3.11 0.00 0.03 0.52 3.14 -1.26 -4.98 118.33 112.68 1a7m n VAL 8 Ca 0.11 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.51 1a7m n VAL 8 Cb 0.51 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.32 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 -2.54 1.80 -0.57 6.55 5.03 -1.26 -4.62 115.26 119.65 1a7m n ASN 9 Ca 0.00 -1.61 0.06 0.00 0.87 0.00 0.00 54.58 53.90 1a7m n ASN 9 Cb 0.00 -0.03 0.19 0.00 -1.02 0.00 0.00 39.78 38.92 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 -0.05 3.42 -2.83 5.41 0.00 -1.26 -4.69 120.51 120.50 1a7m n ALA 10 Ca 0.03 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1a7m n ALA 10 Cb 0.20 -0.37 0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.08 1.24 -0.43 0.00 -1.04 -1.26 -4.33 114.28 107.39 1a7m n THR 11 Ca 0.18 -2.88 0.34 0.00 -2.04 0.00 0.00 64.05 59.65 1a7m n THR 11 Cb 0.71 1.30 0.56 0.00 -1.82 0.00 0.00 70.33 71.07 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 -2.60 -0.12 -1.68 0.00 0.00 -1.26 0.22 120.51 115.06 1a7m n ALA 13 Ca 0.32 0.77 -0.31 0.00 0.00 0.00 0.00 53.44 54.22 1a7m n ALA 13 Cb 1.32 -0.33 0.05 0.00 0.00 0.00 0.00 19.45 20.49 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 -5.14 3.16 0.00 0.00 -0.00 -0.91 -4.70 119.36 111.77 1a7m n ILE 14 Ca 0.08 -3.59 0.00 0.00 -0.00 0.00 0.00 62.75 59.23 1a7m n ILE 14 Cb 0.31 -1.16 0.00 0.00 -0.00 0.00 0.00 39.64 38.78 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 -0.80 0.00 -3.81 6.28 0.63 0.13 -5.02 116.66 114.08 1a7m n ARG 15 Ca 0.54 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.34 1a7m n ARG 15 Cb 0.75 -0.18 -0.15 0.00 0.45 0.00 0.00 32.46 33.33 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 0.00 -0.04 -1.31 -0.14 3.76 -1.26 -5.04 115.29 111.27 1a7m s HIS 16 Ca 0.00 0.17 -0.10 0.00 -0.15 0.00 0.00 55.06 54.99 1a7m s HIS 16 Cb 0.00 -0.09 -0.07 0.00 1.11 0.00 0.00 32.58 33.53 1a7m s HIS 16 CO 0.00 -0.07 2.53 -0.35 -0.85 0.00 0.00 174.74 176.00 1a7m n PRO 17 N 3.65 2.92 -0.70 8.40 -0.04 -1.26 -4.87 135.00 143.10 1a7m n PRO 17 Ca -0.20 -1.96 -0.32 0.00 -0.04 0.00 0.00 63.50 60.98 1a7m n PRO 17 Cb 0.55 -2.73 0.16 0.00 -0.04 0.00 0.00 33.50 31.44 1a7m n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a7m s HIS 19 N -2.37 1.54 -1.61 0.00 3.76 -1.26 -5.00 115.29 110.34 1a7m s HIS 19 Ca 0.59 -0.78 -0.10 0.00 -0.15 0.00 0.00 55.06 54.62 1a7m s HIS 19 Cb -0.19 -2.05 -0.08 0.00 1.11 0.00 0.00 32.58 31.37 1a7m s HIS 19 CO 0.66 -0.78 2.91 0.41 -0.85 0.00 0.00 174.74 177.08 1a7m n GLY 20 N -1.98 4.29 0.00 -2.22 0.00 -1.26 -4.65 105.19 99.36 1a7m n GLY 20 Ca 0.06 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 3.69 0.00 0.00 1.61 3.02 -1.26 -4.89 115.26 117.44 1a7m n ASN 21 Ca 0.77 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1a7m n ASN 21 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1a7m n ASN 21 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1a7m n LEU 22 N 0.00 0.00 -0.12 3.41 7.94 -1.26 -4.60 117.00 122.37 1a7m n LEU 22 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 1a7m n LEU 22 Cb 0.00 0.00 0.17 0.00 0.53 0.00 0.00 43.42 44.12 1a7m n LEU 22 CO 0.00 0.00 0.35 0.80 -1.11 0.00 0.00 177.39 177.43 1a7m n MET 23 N 0.00 -0.02 0.00 1.96 1.56 -1.26 0.83 117.12 120.18 1a7m n MET 23 Ca 0.00 0.52 0.02 0.00 -0.27 0.00 0.00 57.70 57.97 1a7m n MET 23 Cb 0.00 -0.89 0.01 0.00 2.15 0.00 0.00 33.22 34.49 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 -4.04 1.19 -0.08 6.12 6.94 -1.26 -4.14 115.26 119.99 1a7m n ASN 24 Ca 0.12 -1.09 -0.13 0.00 -0.02 0.00 0.00 54.58 53.45 1a7m n ASN 24 Cb 0.39 0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.80 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 0.57 0.00 -0.01 -3.83 -0.00 0.08 -2.37 115.11 109.55 1a7m h GLN 25 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 1a7m h GLN 25 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.59 1a7m h GLN 25 CO 0.00 0.63 -0.73 -0.84 0.00 0.00 0.00 178.83 177.89 1a7m h ILE 26 N -1.00 1.50 -0.43 2.39 3.07 -1.13 0.44 117.51 122.35 1a7m h ILE 26 Ca -0.15 -2.43 0.00 0.00 1.55 0.00 0.00 64.86 63.83 1a7m h ILE 26 Cb 0.89 2.31 -0.02 0.00 -0.27 0.00 0.00 36.82 39.73 1a7m h ILE 26 CO -0.09 0.70 0.28 0.50 -1.05 0.00 0.00 178.15 178.49 1a7m h LYS 27 N 0.03 0.57 0.08 0.16 3.64 -1.72 0.17 116.57 119.51 1a7m h LYS 27 Ca -0.01 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.13 1a7m h LYS 27 Cb 1.28 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1a7m h LYS 27 CO 0.10 0.39 -1.01 -0.97 -2.27 0.00 0.00 179.45 175.69 1a7m h ASN 28 N 0.58 0.27 0.23 4.20 -0.73 -1.33 -2.68 115.58 116.13 1a7m h ASN 28 Ca 0.16 -0.85 -0.03 0.00 1.87 0.00 0.00 56.30 57.45 1a7m h ASN 28 Cb -0.05 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.44 1a7m h ASN 28 CO -0.03 1.44 -0.16 -0.61 -0.37 0.00 0.00 177.43 177.70 1a7m h GLN 29 N -0.55 0.00 0.16 6.67 4.15 -0.14 -2.88 115.11 122.51 1a7m h GLN 29 Ca -0.22 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 58.92 1a7m h GLN 29 Cb 1.53 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.23 1a7m h GLN 29 CO 0.02 0.16 -1.35 1.25 -1.93 0.00 0.00 178.83 176.99 1a7m h LEU 30 N 0.00 0.51 -0.90 -2.39 5.85 -0.76 -3.33 115.31 114.29 1a7m h LEU 30 Ca -0.00 -0.90 0.23 0.00 0.84 0.00 0.00 57.88 58.04 1a7m h LEU 30 Cb 0.32 -0.17 -0.16 0.00 0.37 0.00 0.00 40.66 41.02 1a7m h LEU 30 CO 0.02 1.61 0.02 0.00 -0.34 0.00 0.00 178.44 179.75 1a7m h ALA 31 N 0.04 1.01 -0.99 1.25 0.00 -1.26 1.37 119.26 120.68 1a7m h ALA 31 Ca -0.27 0.30 0.37 0.00 0.00 0.00 0.00 54.91 55.32 1a7m h ALA 31 Cb 1.85 0.52 -0.17 0.00 0.00 0.00 0.00 17.79 20.00 1a7m h ALA 31 CO 0.13 -0.50 0.48 1.96 0.00 0.00 0.00 179.25 181.33 1a7m h GLN 32 N 0.06 0.08 0.00 0.00 7.50 -1.64 0.21 115.11 121.32 1a7m h GLN 32 Ca 0.52 -0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.58 1a7m h GLN 32 Cb 1.01 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.51 1a7m h GLN 32 CO -0.82 0.05 -0.52 -0.07 -1.50 0.00 0.00 178.83 175.98 1a7m h LEU 33 N 0.08 0.00 -0.89 1.46 4.07 0.15 -3.31 115.31 116.87 1a7m h LEU 33 Ca 0.79 -0.68 0.14 0.00 0.08 0.00 0.00 57.88 58.21 1a7m h LEU 33 Cb 1.97 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 43.56 1a7m h LEU 33 CO -0.74 1.14 -0.37 -1.13 -1.08 0.00 0.00 178.44 176.26 1a7m h ASN 34 N -1.00 -1.34 -0.86 -0.43 -1.24 0.22 1.41 115.58 112.35 1a7m h ASN 34 Ca -0.14 0.29 0.22 0.00 0.71 0.00 0.00 56.30 57.38 1a7m h ASN 34 Cb 1.01 0.70 -0.13 0.00 0.73 0.00 0.00 38.32 40.63 1a7m h ASN 34 CO -0.08 -0.29 0.27 1.23 -1.29 0.00 0.00 177.43 177.26 1a7m h GLY 35 N -0.04 1.35 2.00 1.57 0.00 -1.09 0.88 103.07 107.73 1a7m h GLY 35 Ca 0.32 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 1a7m h GLY 35 CO -0.91 -0.31 -0.23 1.76 0.00 0.00 0.00 176.54 176.85 1a7m h SER 36 N 0.27 0.00 -0.94 0.19 0.02 0.13 0.16 113.55 113.38 1a7m h SER 36 Ca 0.53 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.69 1a7m h SER 36 Cb 1.03 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 1a7m h SER 36 CO -0.60 0.23 0.61 0.00 -1.14 0.00 0.00 176.83 175.94 1a7m h ALA 37 N 1.77 2.13 0.07 3.77 0.00 0.84 2.13 119.26 129.97 1a7m h ALA 37 Ca -0.00 0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1a7m h ALA 37 Cb 1.13 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1a7m h ALA 37 CO 0.03 -0.44 -1.92 -1.71 0.00 0.00 0.00 179.25 175.22 1a7m n ASN 38 N -4.56 2.03 0.00 0.00 4.05 -1.00 -3.66 115.26 112.12 1a7m n ASN 38 Ca 0.21 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.46 1a7m n ASN 38 Cb 0.70 -0.83 0.00 0.00 1.23 0.00 0.00 39.78 40.88 1a7m n ASN 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a7m n ALA 39 N -3.22 -0.13 -0.27 5.20 0.00 0.54 -2.51 120.51 120.11 1a7m n ALA 39 Ca -0.35 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.01 1a7m n ALA 39 Cb 0.94 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.32 1a7m n ALA 39 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1a7m n LEU 40 N -1.59 -0.68 -0.29 0.00 -0.00 0.70 0.11 117.00 115.25 1a7m n LEU 40 Ca 0.00 1.40 -0.08 0.00 -0.00 0.00 0.00 56.01 57.34 1a7m n LEU 40 Cb 0.00 -0.28 -0.07 0.00 -0.00 0.00 0.00 43.42 43.07 1a7m n LEU 40 CO 0.00 -1.06 0.33 0.33 -0.00 0.00 0.00 177.39 176.99 1a7m n PHE 41 N -4.49 -0.30 -0.19 1.96 7.35 -0.66 0.17 117.46 121.30 1a7m n PHE 41 Ca 0.01 0.87 -0.06 0.00 -0.76 0.00 0.00 57.45 57.51 1a7m n PHE 41 Cb 0.17 -0.56 0.10 0.00 0.35 0.00 0.00 39.48 39.54 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 1.25 -0.00 -2.13 5.03 -0.02 0.31 117.51 121.95 1a7m h ILE 42 Ca 0.11 -0.99 0.00 0.00 -0.12 0.00 0.00 64.86 63.86 1a7m h ILE 42 Cb 0.28 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 34.75 1a7m h ILE 42 CO -0.65 0.37 -0.05 -1.54 -0.68 0.00 0.00 178.15 175.60 1a7m n SER 43 N -4.22 0.23 -0.01 1.72 3.41 0.31 -1.79 113.62 113.27 1a7m n SER 43 Ca 0.04 -0.45 -0.00 0.00 -0.26 0.00 0.00 58.87 58.19 1a7m n SER 43 Cb 0.28 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.09 0.07 0.06 7.33 9.36 0.46 -4.17 117.16 129.19 1a7m n TYR 44 Ca 0.16 0.03 0.16 0.00 3.32 0.00 0.00 57.90 61.57 1a7m n TYR 44 Cb 0.24 -0.26 0.66 0.00 -0.63 0.00 0.00 39.34 39.35 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 -0.09 0.05 -0.73 2.98 -0.00 -0.55 0.75 116.97 119.39 1a7m h TYR 45 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 58.73 58.80 1a7m h TYR 45 Cb 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 36.73 36.70 1a7m h TYR 45 CO -0.02 0.02 0.41 1.79 -0.00 0.00 0.00 178.16 180.36 1a7m h THR 46 N 0.05 0.94 -1.15 -0.90 1.35 -1.50 0.15 112.91 111.85 1a7m h THR 46 Ca 0.19 -0.25 0.33 0.00 -0.55 0.00 0.00 66.41 66.13 1a7m h THR 46 Cb 0.69 0.16 -0.10 0.00 -1.73 0.00 0.00 68.15 67.16 1a7m h THR 46 CO -0.01 0.13 0.74 0.00 -0.25 0.00 0.00 175.52 176.13 1a7m h ALA 47 N 1.39 2.45 -0.90 6.62 0.00 -1.00 0.14 119.26 127.96 1a7m h ALA 47 Ca 0.34 0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.56 1a7m h ALA 47 Cb 0.25 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.01 1a7m h ALA 47 CO -0.21 -0.94 0.38 1.96 0.00 0.00 0.00 179.25 180.45 1a7m h GLN 48 N 0.26 0.35 -5.91 0.00 1.08 -0.79 -3.46 115.11 106.64 1a7m h GLN 48 Ca 0.68 -0.02 -0.39 0.00 -1.45 0.00 0.00 58.65 57.47 1a7m h GLN 48 Cb 1.93 -0.08 0.10 0.00 -0.05 0.00 0.00 27.48 29.38 1a7m h GLN 48 CO -0.33 0.23 -0.78 0.41 -0.95 0.00 0.00 178.83 177.41 1a7m n GLY 49 N -1.34 -0.38 0.38 3.46 0.00 0.50 -4.81 105.19 103.00 1a7m n GLY 49 Ca 0.23 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.37 -0.90 -2.21 1.61 1.02 -1.26 -4.90 120.64 109.63 1a7m n GLU 50 Ca -0.22 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.26 1a7m n GLU 50 Cb 0.64 -1.01 -0.03 0.00 -0.02 0.00 0.00 31.44 31.02 1a7m n GLU 50 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1a7m s PRO 51 N -3.58 2.82 0.06 3.49 0.04 -1.26 -5.06 135.00 131.52 1a7m s PRO 51 Ca 0.00 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1a7m s PRO 51 Cb 0.00 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1a7m s PRO 51 CO 0.00 -2.53 0.00 1.19 0.04 0.00 0.00 177.00 175.70 1a7m n PHE 52 N 11.61 -1.17 0.00 0.56 3.01 -1.26 -4.75 117.46 125.46 1a7m n PHE 52 Ca 0.15 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1a7m n PHE 52 Cb 0.51 0.69 0.00 0.00 -0.01 0.00 0.00 39.48 40.67 1a7m n PHE 52 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1a7m n PRO 53 N -2.66 0.00 -0.01 -1.08 -0.04 -1.26 0.25 135.00 130.20 1a7m n PRO 53 Ca 0.00 0.12 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1a7m n PRO 53 Cb 0.00 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.71 1a7m n PRO 53 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a7m n ASN 54 N -1.02 4.54 -0.52 3.54 4.13 -1.26 -4.68 115.26 119.99 1a7m n ASN 54 Ca 0.00 -0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.31 1a7m n ASN 54 Cb 0.23 0.53 0.13 0.00 -1.54 0.00 0.00 39.78 39.13 1a7m n ASN 54 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1a7m n ASN 55 N -2.08 2.82 -0.19 6.41 3.02 0.35 -4.49 115.26 121.10 1a7m n ASN 55 Ca -0.03 -2.14 -0.02 0.00 -0.03 0.00 0.00 54.58 52.36 1a7m n ASN 55 Cb 0.56 -0.22 0.20 0.00 -0.61 0.00 0.00 39.78 39.71 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 1.52 0.85 -1.85 3.41 8.10 0.29 0.56 115.31 128.19 1a7m h LEU 56 Ca 0.00 -0.09 0.15 0.00 0.11 0.00 0.00 57.88 58.06 1a7m h LEU 56 Cb 0.77 -0.22 -0.03 0.00 -0.44 0.00 0.00 40.66 40.74 1a7m h LEU 56 CO 0.02 0.72 0.43 0.44 -4.11 0.00 0.00 178.44 175.95 1a7m h ASP 57 N 0.94 0.14 -0.01 0.17 5.19 -1.80 1.45 116.42 122.49 1a7m h ASP 57 Ca 0.23 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1a7m h ASP 57 Cb 0.09 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1a7m h ASP 57 CO -0.03 0.07 -0.01 0.29 -3.12 0.00 0.00 179.24 176.44 1a7m n LYS 58 N -4.41 0.66 -0.00 3.56 5.02 0.01 -3.65 118.16 119.35 1a7m n LYS 58 Ca 0.12 -1.14 0.02 0.00 -2.02 0.00 0.00 58.31 55.29 1a7m n LYS 58 Cb 0.59 -1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 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 0.58 0.02 -2.84 -0.35 4.32 -0.18 -4.80 117.00 113.75 1a7m n LEU 59 Ca 0.06 -0.06 -0.12 0.00 -0.02 0.00 0.00 56.01 55.88 1a7m n LEU 59 Cb 0.28 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.09 1a7m n LEU 59 CO 0.07 0.01 -0.14 0.00 -1.22 0.00 0.00 177.39 176.11 1a7m n GLY 61 N 0.05 -0.27 3.47 0.00 0.00 -1.22 -3.54 105.19 103.68 1a7m n GLY 61 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.10 -0.11 -3.90 1.61 -0.04 -1.26 -2.47 135.00 125.72 1a7m n PRO 62 Ca 0.00 -2.39 -0.30 0.00 -0.04 0.00 0.00 63.50 60.76 1a7m n PRO 62 Cb 0.00 -0.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 1a7m n PRO 62 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a7m s ASN 63 N -4.69 6.37 0.13 3.54 4.22 -1.26 -4.44 114.94 118.80 1a7m s ASN 63 Ca 0.60 0.28 0.00 0.00 -2.14 0.00 0.00 52.86 51.60 1a7m s ASN 63 Cb -0.03 -1.96 0.00 0.00 1.28 0.00 0.00 41.25 40.53 1a7m s ASN 63 CO 0.40 0.15 0.00 0.52 -2.04 0.00 0.00 177.10 176.12 1a7m n VAL 64 N 0.17 0.00 0.00 3.54 0.31 -1.26 -5.07 118.33 116.01 1a7m n VAL 64 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1a7m n VAL 64 Cb 0.51 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 -2.91 0.00 -1.98 2.52 5.66 -1.26 -4.85 114.28 111.45 1a7m n THR 65 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1a7m n THR 65 Cb 0.00 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 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 6.55 -4.60 1.09 -0.08 -1.26 -4.97 116.55 113.27 1a7m n ASP 66 Ca 0.00 -3.79 -0.43 0.00 -1.51 0.00 0.00 54.79 49.06 1a7m n ASP 66 Cb 0.00 -0.82 -0.02 0.00 2.34 0.00 0.00 41.12 42.62 1a7m n ASP 66 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1a7m s PHE 67 N -3.84 2.84 0.46 -0.67 2.19 -1.26 -5.00 117.98 112.69 1a7m s PHE 67 Ca 0.53 0.74 -0.25 0.00 0.33 0.00 0.00 56.93 58.28 1a7m s PHE 67 Cb 0.44 -4.39 -0.08 0.00 -1.31 0.00 0.00 43.02 37.68 1a7m s PHE 67 CO -0.24 -1.24 1.44 -0.35 1.83 0.00 0.00 175.22 176.65 1a7m n PRO 68 N 7.78 2.23 -1.36 10.12 -0.04 -1.26 -4.86 135.00 147.60 1a7m n PRO 68 Ca 0.12 0.79 -0.41 0.00 -0.04 0.00 0.00 63.50 63.97 1a7m n PRO 68 Cb 0.49 -2.64 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 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 -0.26 2.27 -1.32 0.54 -0.04 -1.26 -4.88 135.00 130.05 1a7m n PRO 69 Ca 0.06 -2.15 -0.24 0.00 -0.04 0.00 0.00 63.50 61.13 1a7m n PRO 69 Cb 0.42 -3.02 -0.18 0.00 -0.04 0.00 0.00 33.50 30.67 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 6.34 0.12 -3.67 0.54 -0.00 -1.26 -4.78 117.46 114.75 1a7m n PHE 70 Ca 0.52 0.08 -0.29 0.00 -0.00 0.00 0.00 57.45 57.76 1a7m n PHE 70 Cb 0.36 -0.85 -0.13 0.00 -0.00 0.00 0.00 39.48 38.86 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 1.97 1.74 -0.41 -5.13 2.46 -1.26 -4.92 115.29 109.75 1a7m s HIS 71 Ca 1.17 -2.24 -0.05 0.00 0.47 0.00 0.00 55.06 54.41 1a7m s HIS 71 Cb -0.84 -1.71 -0.13 0.00 -0.13 0.00 0.00 32.58 29.77 1a7m s HIS 71 CO 0.48 -0.80 0.91 0.00 -2.47 0.00 0.00 174.74 172.87 1a7m n ALA 72 N 3.72 0.42 -1.20 1.58 0.00 -1.26 -4.74 120.51 119.03 1a7m n ALA 72 Ca 0.08 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 1a7m n ALA 72 Cb 0.35 -0.98 0.24 0.00 0.00 0.00 0.00 19.45 19.07 1a7m n ALA 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a7m n ASN 73 N 2.56 3.78 0.15 0.00 3.02 -1.26 -4.78 115.26 118.72 1a7m n ASN 73 Ca 0.28 -3.44 0.00 0.00 -0.03 0.00 0.00 54.58 51.39 1a7m n ASN 73 Cb 0.05 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 1a7m n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a7m n GLY 74 N -0.71 -1.29 0.00 7.41 0.00 -1.26 -4.86 105.19 104.48 1a7m n GLY 74 Ca 0.40 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -3.18 0.00 -0.20 2.61 5.66 -1.26 -4.74 114.28 113.17 1a7m n THR 75 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1a7m n THR 75 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1a7m n THR 75 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1a7m n GLU 76 N 0.00 -0.21 -0.31 1.09 -0.58 -1.26 0.20 120.64 119.58 1a7m n GLU 76 Ca 0.00 0.72 0.15 0.00 -0.42 0.00 0.00 57.16 57.61 1a7m n GLU 76 Cb 0.00 -1.05 0.32 0.00 -0.57 0.00 0.00 31.44 30.14 1a7m n GLU 76 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1a7m h LYS 77 N 0.00 0.20 0.00 3.49 2.10 -1.95 0.27 116.57 120.68 1a7m h LYS 77 Ca 0.08 -0.01 -0.28 0.00 -2.00 0.00 0.00 60.65 58.44 1a7m h LYS 77 Cb 0.19 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 31.43 1a7m h LYS 77 CO -0.44 0.13 -1.77 0.00 -2.00 0.00 0.00 179.45 175.37 1a7m n ALA 78 N -2.67 1.61 -0.06 0.07 0.00 0.55 -2.19 120.51 117.81 1a7m n ALA 78 Ca 0.23 -0.81 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 1a7m n ALA 78 Cb 0.74 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 1a7m n ALA 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1a7m h LYS 79 N 0.00 0.33 0.01 0.00 1.79 0.80 0.26 116.57 119.75 1a7m h LYS 79 Ca -0.30 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.09 1a7m h LYS 79 Cb 1.95 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.55 1a7m h LYS 79 CO 0.06 0.36 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.63 1a7m h LEU 80 N 0.22 0.07 -0.26 2.94 3.38 -0.66 -2.61 115.31 118.40 1a7m h LEU 80 Ca 0.08 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1a7m h LEU 80 Cb 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1a7m h LEU 80 CO -0.01 0.92 0.17 0.58 0.09 0.00 0.00 178.44 180.19 1a7m h VAL 81 N -0.78 1.06 -0.57 1.22 2.07 -1.40 0.58 116.25 118.44 1a7m h VAL 81 Ca -0.01 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1a7m h VAL 81 Cb 0.94 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1a7m h VAL 81 CO 0.02 0.06 0.21 -0.33 0.02 0.00 0.00 177.57 177.55 1a7m h GLU 82 N 0.34 0.83 0.10 1.57 5.08 -0.59 0.42 114.58 122.33 1a7m h GLU 82 Ca 0.09 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1a7m h GLU 82 Cb -0.03 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1a7m h GLU 82 CO -0.02 0.70 -0.05 1.25 -1.00 0.00 0.00 179.01 179.88 1a7m h LEU 83 N 0.82 -0.12 0.00 1.33 5.85 -0.98 -2.11 115.31 120.09 1a7m h LEU 83 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1a7m h LEU 83 Cb 0.19 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1a7m h LEU 83 CO -0.02 -0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.01 1a7m n TYR 84 N -2.40 0.00 -0.26 1.25 4.19 0.20 -0.04 117.16 120.11 1a7m n TYR 84 Ca -0.02 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.17 1a7m n TYR 84 Cb 0.05 -0.22 0.04 0.00 0.49 0.00 0.00 39.34 39.70 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 -0.07 0.00 2.98 2.43 -1.04 0.76 114.38 119.44 1a7m h ARG 85 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1a7m h ARG 85 Cb 0.00 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1a7m h ARG 85 CO 0.00 -0.05 -0.03 1.98 -1.51 0.00 0.00 179.97 180.36 1a7m h MET 86 N -0.08 0.00 0.05 0.20 4.05 -0.13 -2.30 114.93 116.72 1a7m h MET 86 Ca 0.30 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.39 1a7m h MET 86 Cb 0.57 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.33 1a7m h MET 86 CO -0.78 0.03 -1.88 0.28 0.23 0.00 0.00 176.91 174.79 1a7m n VAL 87 N -4.16 1.67 0.05 -5.77 0.31 0.95 -2.14 118.33 109.24 1a7m n VAL 87 Ca -0.03 -0.73 -0.13 0.00 -0.01 0.00 0.00 64.34 63.44 1a7m n VAL 87 Cb 0.11 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 31.64 1a7m n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a7m h ALA 88 N 0.58 -0.06 -0.09 3.52 0.00 0.68 1.03 119.26 124.92 1a7m h ALA 88 Ca -0.36 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1a7m h ALA 88 Cb 2.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1a7m h ALA 88 CO 0.08 -0.46 -0.16 0.10 0.00 0.00 0.00 179.25 178.81 1a7m h TYR 89 N -0.22 0.33 0.68 0.00 -0.00 -1.59 -2.84 116.97 113.33 1a7m h TYR 89 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 58.73 58.58 1a7m h TYR 89 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 36.73 36.85 1a7m h TYR 89 CO -0.02 0.76 -0.47 1.25 -0.00 0.00 0.00 178.16 179.67 1a7m h LEU 90 N -0.20 -1.21 -0.89 0.10 5.85 -1.33 -0.82 115.31 116.81 1a7m h LEU 90 Ca 0.00 0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.95 1a7m h LEU 90 Cb 0.73 0.37 -0.15 0.00 0.37 0.00 0.00 40.66 41.97 1a7m h LEU 90 CO 0.04 -0.70 -0.34 -1.28 -0.34 0.00 0.00 178.44 175.82 1a7m h SER 91 N -1.09 -1.23 0.13 1.25 0.87 0.10 0.54 113.55 114.12 1a7m h SER 91 Ca -0.09 0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1a7m h SER 91 Cb 0.90 0.67 -0.04 0.00 -0.44 0.00 0.00 62.40 63.49 1a7m h SER 91 CO 0.05 -0.30 -0.35 0.00 -0.53 0.00 0.00 176.83 175.71 1a7m h ALA 92 N 1.43 -0.62 -0.96 6.23 0.00 -1.22 0.19 119.26 124.31 1a7m h ALA 92 Ca 0.35 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.43 1a7m h ALA 92 Cb 0.61 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 1a7m h ALA 92 CO -0.91 -0.91 0.51 0.77 0.00 0.00 0.00 179.25 178.71 1a7m h SER 93 N -0.59 0.52 0.87 0.00 0.02 0.10 0.27 113.55 114.75 1a7m h SER 93 Ca 0.03 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1a7m h SER 93 Cb 0.62 0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.25 1a7m h SER 93 CO -0.20 0.05 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.05 1a7m h LEU 94 N 0.49 -0.99 -0.96 5.07 4.07 0.13 -2.61 115.31 120.50 1a7m h LEU 94 Ca 0.61 0.03 0.30 0.00 0.08 0.00 0.00 57.88 58.91 1a7m h LEU 94 Cb 1.17 0.26 -0.17 0.00 1.08 0.00 0.00 40.66 43.00 1a7m h LEU 94 CO -0.50 -0.67 0.27 0.74 -1.08 0.00 0.00 178.44 177.20 1a7m h THR 95 N -1.26 0.13 -0.99 0.22 2.02 0.12 0.51 112.91 113.67 1a7m h THR 95 Ca -0.12 -0.03 0.19 0.00 0.77 0.00 0.00 66.41 67.21 1a7m h THR 95 Cb 0.90 0.03 -0.10 0.00 -1.74 0.00 0.00 68.15 67.24 1a7m h THR 95 CO 0.20 0.02 0.61 -1.13 0.37 0.00 0.00 175.52 175.59 1a7m h ASN 96 N 0.10 0.72 1.00 4.18 -0.73 -0.68 0.86 115.58 121.02 1a7m h ASN 96 Ca 0.66 0.08 -0.18 0.00 1.87 0.00 0.00 56.30 58.73 1a7m h ASN 96 Cb 1.49 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 40.00 1a7m h ASN 96 CO -0.77 0.27 -1.06 0.16 -0.37 0.00 0.00 177.43 175.66 1a7m h ILE 97 N 0.71 1.06 -0.66 2.57 -0.00 0.09 -2.76 117.51 118.52 1a7m h ILE 97 Ca 0.55 -2.64 0.10 0.00 -0.00 0.00 0.00 64.86 62.87 1a7m h ILE 97 Cb 0.93 2.48 -0.12 0.00 -0.00 0.00 0.00 36.82 40.11 1a7m h ILE 97 CO -0.33 0.60 -0.39 0.74 -0.00 0.00 0.00 178.15 178.77 1a7m h THR 98 N 0.00 0.10 0.27 0.16 2.02 0.07 0.40 112.91 115.94 1a7m h THR 98 Ca -0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1a7m h THR 98 Cb 1.66 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1a7m h THR 98 CO 0.08 0.00 -0.13 0.08 0.37 0.00 0.00 175.52 175.92 1a7m h ARG 99 N -0.16 -0.36 -0.86 6.66 0.11 -1.57 -1.04 114.38 117.16 1a7m h ARG 99 Ca 0.22 0.02 0.13 0.00 0.10 0.00 0.00 59.98 60.46 1a7m h ARG 99 Cb 0.56 0.08 -0.14 0.00 1.11 0.00 0.00 29.97 31.58 1a7m h ARG 99 CO -0.74 -0.01 -0.39 0.22 0.10 0.00 0.00 179.97 179.16 1a7m h ASP 100 N -0.85 -1.41 0.20 0.08 3.58 -1.06 0.17 116.42 117.13 1a7m h ASP 100 Ca -0.04 0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1a7m h ASP 100 Cb 0.51 0.72 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1a7m h ASP 100 CO 0.06 -0.29 -0.09 1.56 -2.88 0.00 0.00 179.24 177.59 1a7m h GLN 101 N -0.06 -0.25 -0.98 0.28 1.08 -0.32 0.51 115.11 115.37 1a7m h GLN 101 Ca 0.29 0.02 0.27 0.00 -1.45 0.00 0.00 58.65 57.79 1a7m h GLN 101 Cb 0.57 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.01 1a7m h GLN 101 CO -0.88 0.00 0.69 -0.22 -0.95 0.00 0.00 178.83 177.47 1a7m h LYS 102 N -0.49 0.07 0.00 1.46 3.11 0.05 0.14 116.57 120.91 1a7m h LYS 102 Ca -0.03 -0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.64 1a7m h LYS 102 Cb 0.38 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.56 1a7m h LYS 102 CO 0.04 0.05 -1.81 0.28 -2.81 0.00 0.00 179.45 175.20 1a7m n VAL 103 N -4.30 0.88 -0.01 2.00 0.31 0.47 -4.51 118.33 113.17 1a7m n VAL 103 Ca 0.21 -0.67 -0.14 0.00 -0.01 0.00 0.00 64.34 63.73 1a7m n VAL 103 Cb 1.00 -0.43 -0.14 0.00 -0.91 0.00 0.00 33.84 33.35 1a7m n VAL 103 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1a7m n LEU 104 N -2.66 1.58 -4.08 7.52 4.77 0.17 -4.96 117.00 119.34 1a7m n LEU 104 Ca -0.14 0.34 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 1a7m n LEU 104 Cb 0.83 -0.35 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 1a7m n LEU 104 CO 0.44 0.58 -0.47 0.20 -1.33 0.00 0.00 177.39 176.80 1a7m s ASN 105 N -6.48 1.72 0.56 -1.43 -0.87 0.29 -5.02 114.94 103.70 1a7m s ASN 105 Ca -0.12 -0.27 0.31 0.00 -1.57 0.00 0.00 52.86 51.21 1a7m s ASN 105 Cb 0.07 -0.41 1.66 0.00 -0.02 0.00 0.00 41.25 42.55 1a7m s ASN 105 CO 0.80 0.13 2.14 1.55 -2.57 0.00 0.00 177.10 179.15 1a7m h PRO 106 N 6.21 0.00 0.00 -0.60 0.13 -1.89 -1.50 132.00 134.35 1a7m h PRO 106 Ca -0.33 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.43 1a7m h PRO 106 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1a7m h PRO 106 CO 0.48 0.07 -2.35 0.43 -0.23 0.00 0.00 178.00 176.40 1a7m n SER 107 N -3.55 0.71 -0.30 1.44 7.64 -1.26 -4.25 113.62 114.04 1a7m n SER 107 Ca -0.02 -0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.98 1a7m n SER 107 Cb 0.19 0.45 0.30 0.00 -1.01 0.00 0.00 64.21 64.14 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 0.68 1.41 -0.89 -0.43 0.00 -1.55 0.34 119.26 118.82 1a7m h ALA 108 Ca -0.54 0.16 0.37 0.00 0.00 0.00 0.00 54.91 54.90 1a7m h ALA 108 Cb 2.12 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 19.91 1a7m h ALA 108 CO 0.00 -0.34 0.49 1.55 0.00 0.00 0.00 179.25 180.95 1a7m n VAL 109 N -5.05 -0.35 -0.01 0.00 3.14 -1.03 0.19 118.33 115.22 1a7m n VAL 109 Ca 0.22 1.73 -0.17 0.00 -2.96 0.00 0.00 64.34 63.16 1a7m n VAL 109 Cb 0.64 -2.82 -0.12 0.00 -1.06 0.00 0.00 33.84 30.48 1a7m n VAL 109 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1a7m h SER 110 N 0.00 0.31 -0.23 6.55 0.87 -0.60 -2.82 113.55 117.64 1a7m h SER 110 Ca 0.73 -0.84 0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1a7m h SER 110 Cb 1.98 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 63.78 1a7m h SER 110 CO -0.64 1.12 -0.21 0.17 -0.53 0.00 0.00 176.83 176.73 1a7m h LEU 111 N -0.45 -0.68 -0.25 2.23 8.10 0.23 -1.29 115.31 123.20 1a7m h LEU 111 Ca -0.06 0.13 0.06 0.00 0.11 0.00 0.00 57.88 58.11 1a7m h LEU 111 Cb 1.21 0.33 -0.05 0.00 -0.44 0.00 0.00 40.66 41.70 1a7m h LEU 111 CO 0.08 -0.25 -0.11 1.12 -4.11 0.00 0.00 178.44 175.17 1a7m h HIS 112 N -0.22 -0.25 -0.74 0.17 2.07 -0.66 -0.51 115.15 115.00 1a7m h HIS 112 Ca 0.13 0.03 0.13 0.00 -2.85 0.00 0.00 60.37 57.81 1a7m h HIS 112 Cb 0.42 0.15 -0.13 0.00 2.57 0.00 0.00 27.41 30.42 1a7m h HIS 112 CO -0.36 -0.17 -0.24 0.45 -3.07 0.00 0.00 177.93 174.54 1a7m n SER 113 N -5.27 -0.37 -0.03 3.10 2.88 -0.51 0.17 113.62 113.59 1a7m n SER 113 Ca -0.01 1.29 -0.09 0.00 -1.33 0.00 0.00 58.87 58.73 1a7m n SER 113 Cb 0.19 -0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.28 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 0.09 -0.88 -1.46 1.57 -0.85 -1.86 116.57 113.18 1a7m h LYS 114 Ca 0.31 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.18 1a7m h LYS 114 Cb 0.49 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 1a7m h LYS 114 CO -0.75 0.06 0.53 1.25 -0.57 0.00 0.00 179.45 179.96 1a7m h LEU 115 N 0.09 0.78 -0.60 2.94 5.85 0.23 0.46 115.31 125.06 1a7m h LEU 115 Ca 0.08 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1a7m h LEU 115 Cb 0.08 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 1a7m h LEU 115 CO -0.11 0.45 0.10 0.78 -0.34 0.00 0.00 178.44 179.32 1a7m h ASN 116 N 0.89 -0.05 0.66 1.25 4.21 0.64 0.13 115.58 123.30 1a7m h ASN 116 Ca 0.42 0.12 -0.03 0.00 1.21 0.00 0.00 56.30 58.02 1a7m h ASN 116 Cb 0.35 0.18 0.01 0.00 -1.12 0.00 0.00 38.32 37.74 1a7m h ASN 116 CO -0.24 -0.02 -0.32 0.00 -1.29 0.00 0.00 177.43 175.57 1a7m h ALA 117 N 1.50 -1.24 -0.92 -0.83 0.00 -0.60 0.20 119.26 117.37 1a7m h ALA 117 Ca 0.32 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.20 1a7m h ALA 117 Cb 0.49 0.35 -0.16 0.00 0.00 0.00 0.00 17.79 18.46 1a7m h ALA 117 CO -0.43 -1.17 -0.29 0.25 0.00 0.00 0.00 179.25 177.60 1a7m n THR 118 N -4.39 -0.44 0.16 0.00 -2.24 -0.61 -0.08 114.28 106.69 1a7m n THR 118 Ca -0.11 2.14 -0.14 0.00 -2.27 0.00 0.00 64.05 63.67 1a7m n THR 118 Cb 0.35 -2.89 -0.07 0.00 -2.10 0.00 0.00 70.33 65.62 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 0.51 0.68 2.28 2.04 -0.57 0.15 117.51 122.60 1a7m h ILE 119 Ca 0.38 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.22 1a7m h ILE 119 Cb 0.62 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1a7m h ILE 119 CO -0.93 0.00 -0.41 -0.78 0.00 0.00 0.00 178.15 176.02 1a7m h ASP 120 N -0.49 -1.04 -0.05 1.72 3.58 0.24 0.19 116.42 120.56 1a7m h ASP 120 Ca -0.01 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.52 1a7m h ASP 120 Cb 0.46 0.30 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 1a7m h ASP 120 CO -0.05 -0.65 0.16 -0.37 -2.88 0.00 0.00 179.24 175.45 1a7m h VAL 121 N -1.03 0.15 0.00 2.25 -1.51 -0.46 -1.15 116.25 114.50 1a7m h VAL 121 Ca -0.09 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1a7m h VAL 121 Cb 0.83 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1a7m h VAL 121 CO 0.09 0.00 -0.03 0.24 -1.23 0.00 0.00 177.57 176.64 1a7m h MET 122 N 0.00 0.00 -0.94 5.19 2.86 0.83 0.32 114.93 123.20 1a7m h MET 122 Ca 0.02 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.93 1a7m h MET 122 Cb 0.33 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.83 1a7m h MET 122 CO -0.00 0.81 0.14 0.00 1.06 0.00 0.00 176.91 178.92 1a7m h ARG 123 N -1.00 0.07 0.60 1.72 2.47 0.49 0.33 114.38 119.06 1a7m h ARG 123 Ca -0.01 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1a7m h ARG 123 Cb 0.82 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.13 1a7m h ARG 123 CO -0.00 0.05 -0.29 0.78 0.56 0.00 0.00 179.97 181.07 1a7m h GLY 124 N 0.07 -0.84 -0.29 0.04 0.00 -1.37 0.34 103.07 101.02 1a7m h GLY 124 Ca 0.60 0.31 0.12 0.00 0.00 0.00 0.00 47.33 48.35 1a7m h GLY 124 CO -0.81 -0.30 -0.21 1.41 0.00 0.00 0.00 176.54 176.62 1a7m h LEU 125 N -0.98 -0.76 0.39 3.11 4.07 0.17 0.31 115.31 121.63 1a7m h LEU 125 Ca -0.08 0.20 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1a7m h LEU 125 Cb 0.67 0.44 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 1a7m h LEU 125 CO 0.13 -0.24 -0.40 -0.07 -1.08 0.00 0.00 178.44 176.78 1a7m h LEU 126 N -0.06 -1.09 -0.92 1.67 4.07 -0.76 0.38 115.31 118.59 1a7m h LEU 126 Ca 0.28 0.09 0.23 0.00 0.08 0.00 0.00 57.88 58.56 1a7m h LEU 126 Cb 0.49 0.37 -0.13 0.00 1.08 0.00 0.00 40.66 42.47 1a7m h LEU 126 CO -0.65 -0.55 0.44 -1.28 -1.08 0.00 0.00 178.44 175.32 1a7m h SER 127 N -0.82 0.39 -0.52 -0.43 0.87 0.32 0.63 113.55 113.99 1a7m h SER 127 Ca -0.03 0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 1a7m h SER 127 Cb 0.73 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 1a7m h SER 127 CO -0.07 0.00 0.07 0.78 -0.53 0.00 0.00 176.83 177.08 1a7m h ASN 128 N 0.42 0.84 0.28 6.23 2.35 0.32 -0.15 115.58 125.86 1a7m h ASN 128 Ca 0.59 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1a7m h ASN 128 Cb 1.14 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1a7m h ASN 128 CO -0.53 0.90 -0.13 0.58 -1.65 0.00 0.00 177.43 176.60 1a7m h VAL 129 N 0.75 0.00 -0.94 2.81 2.07 0.44 0.12 116.25 121.50 1a7m h VAL 129 Ca 0.16 -0.04 0.26 0.00 0.82 0.00 0.00 66.70 67.89 1a7m h VAL 129 Cb 0.43 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.06 1a7m h VAL 129 CO 0.01 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.97 1a7m h LEU 130 N -0.41 0.36 -1.03 2.57 -0.00 -0.87 0.90 115.31 116.82 1a7m h LEU 130 Ca -0.04 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1a7m h LEU 130 Cb 0.28 0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 41.05 1a7m h LEU 130 CO 0.06 -0.07 0.60 0.00 -0.00 0.00 0.00 178.44 179.03 1a7m h ARG 132 N 1.29 0.00 -0.43 0.00 9.65 0.33 -3.38 114.38 121.83 1a7m h ARG 132 Ca 0.34 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.29 1a7m h ARG 132 Cb -0.11 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.40 1a7m h ARG 132 CO -0.07 0.21 -0.16 1.28 2.80 0.00 0.00 179.97 184.04 1a7m n LEU 133 N -4.72 -0.26 -0.25 3.80 4.77 0.19 -0.11 117.00 120.42 1a7m n LEU 133 Ca -0.04 0.75 0.17 0.00 -0.03 0.00 0.00 56.01 56.86 1a7m n LEU 133 Cb 0.14 -0.18 0.31 0.00 -2.33 0.00 0.00 43.42 41.36 1a7m n LEU 133 CO 0.08 -0.68 0.68 0.00 -1.33 0.00 0.00 177.39 176.14 1a7m n ASN 135 N -4.90 -0.18 0.00 0.00 5.15 0.84 -1.54 115.26 114.63 1a7m n ASN 135 Ca 0.22 0.47 0.00 0.00 -0.60 0.00 0.00 54.58 54.68 1a7m n ASN 135 Cb 0.74 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 1a7m n ASN 135 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1a7m n LYS 136 N -4.40 0.28 -3.17 1.20 5.02 -0.12 -4.84 118.16 112.13 1a7m n LYS 136 Ca 0.03 -0.46 -0.22 0.00 -2.02 0.00 0.00 58.31 55.64 1a7m n LYS 136 Cb 0.11 -0.60 -0.05 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.06 1.02 0.00 2.13 4.01 0.12 -4.86 117.16 119.53 1a7m n TYR 137 Ca 0.00 -3.81 0.10 0.00 -0.16 0.00 0.00 57.90 54.02 1a7m n TYR 137 Cb 0.35 -0.43 -0.14 0.00 -0.31 0.00 0.00 39.34 38.82 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 0.56 0.65 -0.02 -0.72 1.85 -1.02 -3.10 116.66 114.86 1a7m n ARG 138 Ca 0.25 -0.13 -0.01 0.00 -1.00 0.00 0.00 57.85 56.97 1a7m n ARG 138 Cb 0.55 -1.57 -0.01 0.00 -1.05 0.00 0.00 32.46 30.39 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 -2.36 -0.04 0.00 8.89 3.14 -1.26 -4.81 118.33 121.89 1a7m n VAL 139 Ca -0.05 0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 1a7m n VAL 139 Cb 0.61 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 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 -1.01 0.97 2.35 7.55 0.00 -1.26 -5.04 105.19 108.75 1a7m n GLY 140 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.67 0.12 1.61 1.44 -1.26 -4.90 115.22 111.56 1a7m n HIS 141 Ca 0.00 -3.31 0.12 0.00 -2.01 0.00 0.00 57.72 52.51 1a7m n HIS 141 Cb 0.00 0.17 0.00 0.00 0.12 0.00 0.00 29.99 30.28 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 0.29 0.60 -1.17 0.61 3.14 -1.26 -5.02 118.33 115.52 1a7m n VAL 142 Ca 0.19 -0.54 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1a7m n VAL 142 Cb 0.68 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 1a7m n VAL 142 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a7m n ASP 143 N -2.65 -2.55 -4.06 6.55 8.00 -1.26 -4.97 116.55 115.61 1a7m n ASP 143 Ca 0.00 0.28 -0.34 0.00 0.71 0.00 0.00 54.79 55.44 1a7m n ASP 143 Cb 0.55 -0.54 -0.12 0.00 -0.02 0.00 0.00 41.12 40.99 1a7m n ASP 143 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1a7m s VAL 144 N -0.10 3.03 0.16 2.53 1.01 -1.26 -5.07 120.40 120.70 1a7m s VAL 144 Ca 0.00 -2.57 -0.30 0.00 0.00 0.00 0.00 61.98 59.11 1a7m s VAL 144 Cb 0.00 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1a7m s VAL 144 CO 0.00 -0.73 1.11 -2.16 0.00 0.00 0.00 175.10 173.31 1a7m s PRO 145 N 0.54 4.57 -1.04 2.72 0.04 -1.26 -5.02 135.00 135.56 1a7m s PRO 145 Ca 0.12 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 1a7m s PRO 145 Cb -0.22 -3.29 0.13 0.00 0.04 0.00 0.00 34.50 31.16 1a7m s PRO 145 CO -0.04 0.03 1.29 -1.25 0.04 0.00 0.00 177.00 177.06 1a7m s PRO 146 N -0.16 3.75 -0.11 0.56 0.04 -1.26 -4.59 135.00 133.23 1a7m s PRO 146 Ca 0.51 -1.90 -0.06 0.00 0.04 0.00 0.00 61.00 59.59 1a7m s PRO 146 Cb -0.29 -5.05 -0.04 0.00 0.04 0.00 0.00 34.50 29.16 1a7m s PRO 146 CO 0.34 -1.86 0.11 0.54 0.04 0.00 0.00 177.00 176.17 1a7m s VAL 147 N 2.82 5.21 -0.25 -0.36 0.11 -1.26 -4.88 120.40 121.79 1a7m s VAL 147 Ca 0.38 0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.44 1a7m s VAL 147 Cb -0.03 -3.26 -0.16 0.00 -1.53 0.00 0.00 36.38 31.40 1a7m s VAL 147 CO -0.06 0.61 -0.16 -0.81 -3.33 0.00 0.00 175.10 171.35 1a7m n PRO 148 N 1.98 0.63 -3.01 1.54 -0.04 -1.26 -4.67 135.00 130.17 1a7m n PRO 148 Ca -0.19 0.26 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 1a7m n PRO 148 Cb 0.55 -1.56 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1a7m n PRO 148 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a7m n ASP 149 N -3.80 -3.08 -2.29 3.54 2.03 -1.26 -4.51 116.55 107.17 1a7m n ASP 149 Ca -0.46 -0.41 -0.33 0.00 0.52 0.00 0.00 54.79 54.11 1a7m n ASP 149 Cb 0.92 -0.97 0.07 0.00 -0.72 0.00 0.00 41.12 40.42 1a7m n ASP 149 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1a7m n HIS 150 N -1.15 3.14 -1.45 -0.67 8.25 -1.26 -4.62 115.22 117.45 1a7m n HIS 150 Ca -0.14 -2.87 -0.27 0.00 -0.26 0.00 0.00 57.72 54.18 1a7m n HIS 150 Cb 0.43 -1.23 -0.03 0.00 1.12 0.00 0.00 29.99 30.27 1a7m n HIS 150 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1a7m n SER 151 N -0.87 6.59 -0.04 0.41 7.64 -1.26 -4.06 113.62 122.03 1a7m n SER 151 Ca 0.59 -3.26 -0.07 0.00 1.01 0.00 0.00 58.87 57.15 1a7m n SER 151 Cb 0.71 -1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 1a7m n SER 151 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1a7m n ASP 152 N 0.65 2.65 -4.15 6.43 2.03 -1.26 -5.09 116.55 117.80 1a7m n ASP 152 Ca 0.47 -0.01 -0.10 0.00 0.52 0.00 0.00 54.79 55.68 1a7m n ASP 152 Cb 0.53 -0.17 -0.10 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.17 0.82 0.00 -0.67 1.02 -1.26 -5.02 119.74 112.47 1a7m s LYS 153 Ca -0.12 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.52 1a7m s LYS 153 Cb 0.03 0.00 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1a7m s LYS 153 CO 0.18 -0.11 0.00 -1.91 -0.92 0.00 0.00 175.35 172.59 1a7m n GLU 154 N -0.04 0.00 -0.33 1.68 0.00 -1.26 -1.61 120.64 119.09 1a7m n GLU 154 Ca -0.11 0.00 0.26 0.00 0.00 0.00 0.00 57.16 57.31 1a7m n GLU 154 Cb 0.62 -0.05 0.50 0.00 0.00 0.00 0.00 31.44 32.50 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 0.19 -0.24 6.31 -1.51 -2.01 1.57 116.25 120.57 1a7m h VAL 155 Ca 0.00 -0.07 -0.18 0.00 -1.23 0.00 0.00 66.70 65.22 1a7m h VAL 155 Cb 0.00 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.14 1a7m h VAL 155 CO 0.00 0.04 -0.57 -0.26 -1.23 0.00 0.00 177.57 175.55 1a7m h PHE 156 N 0.20 1.03 -1.00 5.19 -1.00 -1.96 0.41 116.94 119.80 1a7m h PHE 156 Ca 0.76 -0.39 0.27 0.00 2.81 0.00 0.00 57.97 61.42 1a7m h PHE 156 Cb 1.83 -0.18 -0.13 0.00 3.61 0.00 0.00 35.95 41.08 1a7m h PHE 156 CO -0.04 1.21 0.59 0.37 -1.61 0.00 0.00 178.31 178.83 1a7m h GLN 157 N 0.55 0.47 0.00 1.51 4.15 0.33 1.20 115.11 123.33 1a7m h GLN 157 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1a7m h GLN 157 Cb 1.19 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1a7m h GLN 157 CO 0.12 0.31 0.00 1.63 -1.93 0.00 0.00 178.83 178.97 1a7m n LYS 158 N -4.94 0.00 -0.34 1.69 5.02 -0.93 -0.30 118.16 118.36 1a7m n LYS 158 Ca 0.29 0.39 0.15 0.00 -2.02 0.00 0.00 58.31 57.12 1a7m n LYS 158 Cb 0.84 -0.90 0.30 0.00 -0.02 0.00 0.00 35.03 35.25 1a7m n LYS 158 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a7m n LYS 159 N -1.68 -0.08 0.00 1.97 4.76 0.12 -0.34 118.16 122.91 1a7m n LYS 159 Ca 0.00 1.45 0.12 0.00 -2.87 0.00 0.00 58.31 57.01 1a7m n LYS 159 Cb 0.00 -2.32 0.21 0.00 -1.84 0.00 0.00 35.03 31.08 1a7m n LYS 159 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1a7m n LYS 160 N -5.44 0.24 -0.16 1.97 0.00 0.41 -4.37 118.16 110.82 1a7m n LYS 160 Ca 0.23 -0.16 0.10 0.00 0.00 0.00 0.00 58.31 58.49 1a7m n LYS 160 Cb 0.77 -1.50 0.20 0.00 0.00 0.00 0.00 35.03 34.50 1a7m n LYS 160 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1a7m n LEU 161 N -1.24 0.04 -0.07 3.14 0.00 0.59 0.16 117.00 119.62 1a7m n LEU 161 Ca 0.07 0.79 -0.06 0.00 0.00 0.00 0.00 56.01 56.81 1a7m n LEU 161 Cb 0.34 -0.33 -0.13 0.00 0.00 0.00 0.00 43.42 43.31 1a7m n LEU 161 CO 0.34 -0.84 -0.99 0.61 0.00 0.00 0.00 177.39 176.52 1a7m n GLY 162 N -1.19 -0.79 0.11 -3.96 0.00 -1.26 -4.57 105.19 93.52 1a7m n GLY 162 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 0.17 0.44 0.05 0.00 -0.00 -0.61 0.13 115.11 115.29 1a7m h GLN 164 Ca 0.06 -0.03 -0.24 0.00 -0.00 0.00 0.00 58.65 58.45 1a7m h GLN 164 Cb 0.09 -0.10 0.02 0.00 0.00 0.00 0.00 27.48 27.50 1a7m h GLN 164 CO -0.01 0.29 -0.96 -0.07 0.00 0.00 0.00 178.83 178.08 1a7m h LEU 165 N 0.45 0.75 -0.63 -2.39 -0.00 -1.52 -3.22 115.31 108.76 1a7m h LEU 165 Ca 0.36 -0.79 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1a7m h LEU 165 Cb 0.77 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 1a7m h LEU 165 CO -0.12 1.46 0.41 -0.07 -0.00 0.00 0.00 178.44 180.12 1a7m h LEU 166 N 0.14 0.73 0.13 1.67 -0.00 0.31 0.15 115.31 118.44 1a7m h LEU 166 Ca -0.14 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1a7m h LEU 166 Cb 1.66 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 42.12 1a7m h LEU 166 CO 0.19 0.54 -0.18 1.23 -0.00 0.00 0.00 178.44 180.21 1a7m h GLY 167 N 0.85 -1.01 -0.99 0.83 0.00 -1.45 0.13 103.07 101.44 1a7m h GLY 167 Ca 0.23 0.46 0.11 0.00 0.00 0.00 0.00 47.33 48.14 1a7m h GLY 167 CO -0.05 -0.34 -0.50 2.41 0.00 0.00 0.00 176.54 178.06 1a7m n THR 168 N -3.44 -0.61 -0.26 4.70 -1.04 -1.03 0.16 114.28 112.76 1a7m n THR 168 Ca -0.04 2.35 0.07 0.00 -2.04 0.00 0.00 64.05 64.40 1a7m n THR 168 Cb 0.16 -2.99 0.20 0.00 -1.82 0.00 0.00 70.33 65.88 1a7m n THR 168 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1a7m h TYR 169 N 0.00 0.21 0.00 -1.42 3.20 -0.40 0.29 116.97 118.85 1a7m h TYR 169 Ca 0.23 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1a7m h TYR 169 Cb 0.48 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1a7m h TYR 169 CO -0.95 -0.15 0.00 1.17 -1.64 0.00 0.00 178.16 176.58 1a7m n LYS 170 N -5.22 0.00 -0.04 1.82 4.81 0.12 0.31 118.16 119.97 1a7m n LYS 170 Ca 0.16 0.39 -0.02 0.00 -0.87 0.00 0.00 58.31 57.96 1a7m n LYS 170 Cb 0.52 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.97 1a7m n LYS 170 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1a7m n GLN 171 N -1.49 1.64 -0.10 1.64 6.02 0.94 -4.20 117.38 121.83 1a7m n GLN 171 Ca 0.02 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.77 1a7m n GLN 171 Cb 0.07 -1.30 -0.10 0.00 1.02 0.00 0.00 30.24 29.94 1a7m n GLN 171 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1a7m n VAL 172 N -2.29 1.52 -0.03 5.09 0.24 -0.77 -3.99 118.33 118.10 1a7m n VAL 172 Ca -0.14 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.34 62.04 1a7m n VAL 172 Cb 0.72 -2.07 -0.03 0.00 -1.47 0.00 0.00 33.84 30.99 1a7m n VAL 172 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1a7m h ILE 173 N -1.00 0.31 0.00 1.34 1.08 -0.38 0.30 117.51 119.17 1a7m h ILE 173 Ca -0.34 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1a7m h ILE 173 Cb 1.23 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1a7m h ILE 173 CO -0.20 0.00 0.58 0.77 -0.69 0.00 0.00 178.15 178.60 1a7m h SER 174 N -0.33 0.00 0.00 1.72 4.64 -1.73 0.81 113.55 118.65 1a7m h SER 174 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1a7m h SER 174 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1a7m h SER 174 CO -0.39 0.00 -1.41 0.55 -0.87 0.00 0.00 176.83 174.72 1a7m n VAL 175 N -2.35 0.00 0.09 0.95 3.14 0.92 -3.55 118.33 117.53 1a7m n VAL 175 Ca -0.01 -0.27 -0.23 0.00 -2.96 0.00 0.00 64.34 60.87 1a7m n VAL 175 Cb 0.60 0.34 -0.15 0.00 -1.06 0.00 0.00 33.84 33.57 1a7m n VAL 175 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 1a7m h VAL 176 N 0.00 1.19 0.00 1.55 -1.51 0.20 0.58 116.25 118.25 1a7m h VAL 176 Ca 0.00 -2.57 -0.00 0.00 -1.23 0.00 0.00 66.70 62.90 1a7m h VAL 176 Cb 0.53 2.95 -0.00 0.00 -2.13 0.00 0.00 31.29 32.63 1a7m h VAL 176 CO 0.00 0.79 -0.01 1.62 -1.23 0.00 0.00 177.57 178.74 1a7m h VAL 177 N -0.04 0.03 0.00 7.19 3.04 -0.67 0.60 116.25 126.40 1a7m h VAL 177 Ca -0.27 -0.37 -0.19 0.00 -1.01 0.00 0.00 66.70 64.87 1a7m h VAL 177 Cb 1.98 1.35 -0.03 0.00 -2.01 0.00 0.00 31.29 32.58 1a7m h VAL 177 CO 0.19 0.01 -2.06 1.67 -1.01 0.00 0.00 177.57 176.36 1a7m n GLN 178 N -3.12 0.67 -0.02 4.17 0.00 -1.17 -4.42 117.38 113.48 1a7m n GLN 178 Ca -0.01 -0.05 -0.17 0.00 -0.00 0.00 0.00 57.00 56.78 1a7m n GLN 178 Cb 0.23 -1.57 -0.08 0.00 0.00 0.00 0.00 30.24 28.82 1a7m n GLN 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a7m h ALA 179 N 1.48 0.21 0.00 1.69 0.00 0.20 -3.49 119.26 119.34 1a7m h ALA 179 Ca -0.26 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1a7m h ALA 179 Cb 1.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1a7m h ALA 179 CO 0.02 0.46 0.00 1.97 0.00 0.00 0.00 179.25 181.70