#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7h h PRO 2 N 0.00 -0.07 -5.56 1.61 0.11 -1.99 -3.40 132.00 122.70 2c7h h PRO 2 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 2c7h h PRO 2 Cb 0.00 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.03 2c7h h PRO 2 CO 0.00 0.06 -0.30 -1.17 -0.21 0.00 0.00 178.00 176.38 2c7h s LEU 3 N -9.97 4.27 0.17 2.35 2.96 -1.26 -4.99 118.68 112.20 2c7h s LEU 3 Ca -0.14 0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 54.23 2c7h s LEU 3 Cb 0.05 -2.42 0.06 0.00 0.50 0.00 0.00 46.19 44.39 2c7h s LEU 3 CO 0.66 0.11 1.69 1.23 -1.32 0.00 0.00 176.35 178.72 2c7h h GLY 4 N 6.51 0.98 2.00 7.98 0.00 -2.04 -2.61 103.07 115.89 2c7h h GLY 4 Ca -0.42 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.26 2c7h h GLY 4 CO 0.74 0.55 -0.32 1.76 0.00 0.00 0.00 176.54 179.27 2c7h h SER 5 N 0.83 0.00 -3.50 0.19 0.02 -1.96 -3.48 113.55 105.63 2c7h h SER 5 Ca 0.19 0.00 0.31 0.00 -0.84 0.00 0.00 61.79 61.45 2c7h h SER 5 Cb 0.30 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.73 2c7h h SER 5 CO -0.00 0.32 -0.63 0.23 -1.14 0.00 0.00 176.83 175.61 2c7h n MET 6 N -3.48 -2.50 -3.79 3.45 2.81 -0.99 -4.87 117.12 107.76 2c7h n MET 6 Ca -0.00 1.79 -0.37 0.00 -1.81 0.00 0.00 57.70 57.31 2c7h n MET 6 Cb 0.48 -3.01 -0.06 0.00 -0.71 0.00 0.00 33.22 29.92 2c7h n MET 6 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2c7h s SER 7 N -6.61 6.48 -0.07 7.83 0.01 -0.71 -4.99 113.70 115.64 2c7h s SER 7 Ca 0.00 0.58 -0.05 0.00 1.31 0.00 0.00 55.95 57.79 2c7h s SER 7 Cb 0.00 -2.11 0.03 0.00 0.21 0.00 0.00 66.02 64.15 2c7h s SER 7 CO 0.00 0.39 0.18 0.00 0.41 0.00 0.00 173.24 174.21 2c7h s VAL 9 N 0.64 4.34 -0.30 0.00 1.01 -0.81 -4.57 120.40 120.71 2c7h s VAL 9 Ca -0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 2c7h s VAL 9 Cb -0.06 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2c7h s VAL 9 CO -0.03 0.42 1.02 -1.00 0.00 0.00 0.00 175.10 175.51 2c7h s HIS 10 N 0.91 3.20 -0.00 5.22 3.76 -1.25 -1.87 115.29 125.25 2c7h s HIS 10 Ca 0.03 1.20 0.03 0.00 -0.15 0.00 0.00 55.06 56.16 2c7h s HIS 10 Cb -0.14 -3.53 -0.01 0.00 1.11 0.00 0.00 32.58 30.02 2c7h s HIS 10 CO 0.02 -0.67 -0.09 1.52 -0.85 0.00 0.00 174.74 174.67 2c7h s TYR 11 N 3.45 0.79 -0.00 1.40 1.13 0.28 -0.40 117.35 123.99 2c7h s TYR 11 Ca 0.43 -0.17 0.07 0.00 -1.41 0.00 0.00 57.07 55.99 2c7h s TYR 11 Cb -0.13 -0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 40.20 2c7h s TYR 11 CO 0.13 -0.01 -0.21 -1.59 -2.51 0.00 0.00 175.55 171.36 2c7h s LYS 12 N -0.29 1.62 0.66 -3.49 -2.85 -0.90 0.45 119.74 114.94 2c7h s LYS 12 Ca 0.03 -0.77 -0.08 0.00 -1.00 0.00 0.00 55.97 54.14 2c7h s LYS 12 Cb -0.04 -1.59 0.02 0.00 -2.06 0.00 0.00 37.83 34.16 2c7h s LYS 12 CO -0.00 0.43 1.00 0.12 0.10 0.00 0.00 175.35 177.00 2c7h s PHE 13 N -0.54 3.22 0.34 1.78 2.19 -1.26 0.15 117.98 123.85 2c7h s PHE 13 Ca 0.08 0.76 0.05 0.00 0.33 0.00 0.00 56.93 58.15 2c7h s PHE 13 Cb -0.08 -2.96 0.69 0.00 -1.31 0.00 0.00 43.02 39.36 2c7h s PHE 13 CO -0.00 -1.08 1.92 0.77 1.83 0.00 0.00 175.22 178.65 2c7h h SER 14 N -0.45 0.75 0.35 6.13 0.02 -1.58 0.41 113.55 119.18 2c7h h SER 14 Ca -0.45 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2c7h h SER 14 Cb 1.27 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2c7h h SER 14 CO 0.62 0.46 -0.04 -1.20 -1.14 0.00 0.00 176.83 175.53 2c7h n SER 15 N -4.51 0.21 -4.60 3.07 7.64 -1.26 -4.83 113.62 109.35 2c7h n SER 15 Ca 0.14 -0.53 -0.33 0.00 1.01 0.00 0.00 58.87 59.16 2c7h n SER 15 Cb 0.28 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.24 2c7h n SER 15 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2c7h s LYS 16 N -2.39 2.62 -0.17 1.43 1.02 0.13 -5.00 119.74 117.38 2c7h s LYS 16 Ca 0.33 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.67 2c7h s LYS 16 Cb 0.21 -2.54 -0.22 0.00 -0.52 0.00 0.00 37.83 34.76 2c7h s LYS 16 CO 0.44 0.62 0.15 -0.11 -0.92 0.00 0.00 175.35 175.52 2c7h n LEU 17 N 1.69 2.27 -4.96 3.17 7.94 -1.26 -4.51 117.00 121.33 2c7h n LEU 17 Ca -0.16 0.08 -0.23 0.00 -1.11 0.00 0.00 56.01 54.59 2c7h n LEU 17 Cb 0.53 -0.71 -0.02 0.00 0.53 0.00 0.00 43.42 43.74 2c7h n LEU 17 CO 0.30 0.79 -0.06 0.54 -1.11 0.00 0.00 177.39 177.85 2c7h s ASN 18 N -6.56 6.33 0.02 1.96 2.20 -1.26 -5.05 114.94 112.57 2c7h s ASN 18 Ca -0.24 0.11 -0.19 0.00 -0.94 0.00 0.00 52.86 51.60 2c7h s ASN 18 Cb 0.08 -1.88 -0.06 0.00 -2.00 0.00 0.00 41.25 37.39 2c7h s ASN 18 CO 0.72 -0.02 0.56 -0.31 -2.94 0.00 0.00 177.10 175.10 2c7h s TYR 19 N -1.89 3.73 0.60 1.54 1.51 -1.26 -4.65 117.35 116.92 2c7h s TYR 19 Ca 0.34 1.19 0.03 0.00 -1.01 0.00 0.00 57.07 57.63 2c7h s TYR 19 Cb -0.10 -2.53 0.08 0.00 -0.11 0.00 0.00 41.96 39.30 2c7h s TYR 19 CO 0.29 0.46 0.83 -0.51 -1.11 0.00 0.00 175.55 175.51 2c7h s ASP 20 N -0.59 4.96 -0.02 2.29 1.01 0.17 -4.82 116.67 119.67 2c7h s ASP 20 Ca 0.29 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 53.17 2c7h s ASP 20 Cb -0.18 -0.27 0.02 0.00 1.01 0.00 0.00 42.92 43.50 2c7h s ASP 20 CO 0.17 -1.39 -0.00 0.42 0.21 0.00 0.00 175.17 174.58 2c7h s THR 21 N -2.81 0.14 -0.35 -1.27 -4.23 -1.26 -0.56 115.64 105.30 2c7h s THR 21 Ca 0.61 0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.99 2c7h s THR 21 Cb -0.07 -0.19 -0.01 0.00 1.34 0.00 0.00 72.50 73.57 2c7h s THR 21 CO 0.40 0.10 0.46 0.68 -0.54 0.00 0.00 174.62 175.72 2c7h s VAL 22 N 0.60 5.07 -0.36 2.29 -7.23 -0.78 -4.88 120.40 115.11 2c7h s VAL 22 Ca -0.06 0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 60.13 2c7h s VAL 22 Cb -0.08 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 32.94 2c7h s VAL 22 CO -0.01 -0.18 0.67 0.42 -0.31 0.00 0.00 175.10 175.68 2c7h s THR 23 N 2.26 4.86 0.18 5.32 -4.23 -1.26 -1.92 115.64 120.84 2c7h s THR 23 Ca 0.16 0.62 0.01 0.00 -1.18 0.00 0.00 61.69 61.31 2c7h s THR 23 Cb -0.16 -4.11 -0.05 0.00 1.34 0.00 0.00 72.50 69.53 2c7h s THR 23 CO 0.13 -0.35 0.03 0.72 -0.54 0.00 0.00 174.62 174.60 2c7h s PHE 24 N 2.79 1.19 -1.79 3.99 -0.71 0.15 -4.99 117.98 118.61 2c7h s PHE 24 Ca 0.26 -1.09 0.17 0.00 -1.04 0.00 0.00 56.93 55.24 2c7h s PHE 24 Cb -0.14 -0.68 0.35 0.00 -1.21 0.00 0.00 43.02 41.35 2c7h s PHE 24 CO 0.15 -0.29 1.27 -0.40 -1.34 0.00 0.00 175.22 174.62 2c7h n ASP 25 N -0.24 3.10 -4.10 1.98 5.75 -1.26 -1.74 116.55 120.03 2c7h n ASP 25 Ca -0.05 -1.90 -0.22 0.00 -0.01 0.00 0.00 54.79 52.61 2c7h n ASP 25 Cb 0.64 -0.22 0.12 0.00 -1.03 0.00 0.00 41.12 40.62 2c7h n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c7h n GLY 26 N 1.09 0.16 0.14 6.12 0.00 -1.26 -4.86 105.19 106.58 2c7h n GLY 26 Ca 0.15 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 2c7h n GLY 26 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c7h h LEU 27 N 0.00 0.43 -7.97 0.99 7.12 -1.96 -3.42 115.31 110.50 2c7h h LEU 27 Ca -0.31 -0.94 -0.14 0.00 0.13 0.00 0.00 57.88 56.61 2c7h h LEU 27 Cb 1.06 -0.14 -0.19 0.00 -0.53 0.00 0.00 40.66 40.86 2c7h h LEU 27 CO 0.30 1.84 -0.61 -1.38 -0.13 0.00 0.00 178.44 178.46 2c7h s HIS 28 N -2.56 0.26 -0.09 1.25 -3.43 -1.26 -1.63 115.29 107.82 2c7h s HIS 28 Ca -0.21 -0.56 0.03 0.00 -0.80 0.00 0.00 55.06 53.51 2c7h s HIS 28 Cb 0.06 -0.19 0.01 0.00 -1.43 0.00 0.00 32.58 31.03 2c7h s HIS 28 CO 0.78 -0.29 -0.19 -1.50 -2.00 0.00 0.00 174.74 171.54 2c7h s ILE 29 N -2.24 1.69 0.49 -5.38 2.07 0.29 -4.90 121.20 113.22 2c7h s ILE 29 Ca -0.08 -0.80 -0.23 0.00 -1.41 0.00 0.00 60.65 58.12 2c7h s ILE 29 Cb -0.04 -1.49 -0.07 0.00 0.13 0.00 0.00 42.46 41.00 2c7h s ILE 29 CO -0.03 0.48 1.33 -0.44 -1.91 0.00 0.00 174.94 174.36 2c7h s SER 30 N 0.53 5.73 0.22 4.50 0.01 -1.26 0.13 113.70 123.54 2c7h s SER 30 Ca -0.16 2.70 -0.08 0.00 1.31 0.00 0.00 55.95 59.72 2c7h s SER 30 Cb -0.17 -2.63 0.30 0.00 0.21 0.00 0.00 66.02 63.73 2c7h s SER 30 CO 0.06 -1.25 1.78 0.25 0.41 0.00 0.00 173.24 174.48 2c7h h LEU 31 N 1.95 0.43 -0.53 2.44 5.85 0.73 0.29 115.31 126.46 2c7h h LEU 31 Ca -0.50 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.32 2c7h h LEU 31 Cb 1.27 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 2c7h h LEU 31 CO 0.59 0.25 0.27 0.00 -0.34 0.00 0.00 178.44 179.21 2c7h h ASP 33 N 0.51 0.65 -0.49 0.00 5.19 -1.55 -1.38 116.42 119.35 2c7h h ASP 33 Ca 0.24 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.29 2c7h h ASP 33 Cb 0.15 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2c7h h ASP 33 CO -0.17 0.81 0.18 0.25 -3.12 0.00 0.00 179.24 177.19 2c7h h LEU 34 N 0.46 0.69 -0.69 1.55 6.46 0.02 -1.44 115.31 122.37 2c7h h LEU 34 Ca 0.10 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 2c7h h LEU 34 Cb 0.49 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2c7h h LEU 34 CO 0.02 0.69 0.28 0.11 -0.62 0.00 0.00 178.44 178.93 2c7h h LYS 35 N 0.65 1.02 -0.68 1.25 1.57 -0.13 -0.99 116.57 119.27 2c7h h LYS 35 Ca 0.16 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2c7h h LYS 35 Cb 0.23 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2c7h h LYS 35 CO -0.01 0.84 0.35 0.87 -0.57 0.00 0.00 179.45 180.93 2c7h h LYS 36 N 0.97 0.95 0.02 3.15 6.56 -0.89 0.31 116.57 127.63 2c7h h LYS 36 Ca 0.23 -0.11 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2c7h h LYS 36 Cb 0.20 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 2c7h h LYS 36 CO -0.02 0.71 -0.01 1.96 -2.06 0.00 0.00 179.45 180.03 2c7h h GLN 37 N 0.95 -0.02 -0.40 3.15 1.08 -0.69 -1.86 115.11 117.31 2c7h h GLN 37 Ca 0.24 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.37 2c7h h GLN 37 Cb 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2c7h h GLN 37 CO -0.04 0.28 -0.01 0.82 -0.95 0.00 0.00 178.83 178.94 2c7h h ILE 38 N -0.32 1.26 -0.31 2.54 2.04 -0.88 -0.13 117.51 121.71 2c7h h ILE 38 Ca -0.00 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 2c7h h ILE 38 Cb 0.31 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2c7h h ILE 38 CO 0.00 0.35 -0.14 0.24 0.00 0.00 0.00 178.15 178.60 2c7h h MET 39 N 0.55 0.55 -0.17 2.37 2.86 -0.44 0.15 114.93 120.80 2c7h h MET 39 Ca 0.11 -0.17 -0.22 0.00 -2.06 0.00 0.00 59.70 57.36 2c7h h MET 39 Cb 0.49 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.11 2c7h h MET 39 CO 0.02 0.68 -0.76 0.78 1.06 0.00 0.00 176.91 178.69 2c7h h GLY 40 N 0.95 0.90 0.72 8.32 0.00 -1.16 0.32 103.07 113.12 2c7h h GLY 40 Ca 0.09 -1.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.15 2c7h h GLY 40 CO 0.03 1.11 -0.03 -0.09 0.00 0.00 0.00 176.54 177.56 2c7h h ARG 41 N 0.56 0.21 -0.10 4.80 2.43 -0.55 -3.16 114.38 118.56 2c7h h ARG 41 Ca -0.05 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2c7h h ARG 41 Cb 1.38 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2c7h h ARG 41 CO 0.16 0.52 0.00 0.39 -1.51 0.00 0.00 179.97 179.52 2c7h n GLU 42 N -4.76 1.81 -3.17 0.20 -0.58 0.49 -4.95 120.64 109.69 2c7h n GLU 42 Ca -0.06 -1.20 -0.08 0.00 -0.42 0.00 0.00 57.16 55.40 2c7h n GLU 42 Cb 0.24 -1.45 0.03 0.00 -0.57 0.00 0.00 31.44 29.70 2c7h n GLU 42 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2c7h n LYS 43 N 0.44 -1.72 -2.75 3.49 4.01 -0.88 -5.03 118.16 115.72 2c7h n LYS 43 Ca 0.17 1.19 -0.21 0.00 -0.51 0.00 0.00 58.31 58.96 2c7h n LYS 43 Cb 0.39 -5.70 0.06 0.00 -0.51 0.00 0.00 35.03 29.27 2c7h n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2c7h s LEU 44 N -4.68 3.22 -0.47 -0.35 1.02 0.11 -5.03 118.68 112.51 2c7h s LEU 44 Ca 0.21 -0.31 -0.10 0.00 0.02 0.00 0.00 54.13 53.95 2c7h s LEU 44 Cb -0.03 -2.38 0.11 0.00 0.02 0.00 0.00 46.19 43.90 2c7h s LEU 44 CO 0.75 -1.31 0.34 -1.59 0.02 0.00 0.00 176.35 174.56 2c7h s LYS 45 N -4.79 2.57 0.15 1.70 -2.85 -1.26 -4.88 119.74 110.38 2c7h s LYS 45 Ca 0.60 -1.68 0.26 0.00 -1.00 0.00 0.00 55.97 54.16 2c7h s LYS 45 Cb -0.08 -3.93 0.94 0.00 -2.06 0.00 0.00 37.83 32.69 2c7h s LYS 45 CO 0.39 -1.15 1.80 0.00 0.10 0.00 0.00 175.35 176.50 2c7h n ALA 46 N 4.95 2.23 0.39 0.59 0.00 -1.26 -1.52 120.51 125.89 2c7h n ALA 46 Ca -0.09 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.43 2c7h n ALA 46 Cb 0.41 -1.46 0.21 0.00 0.00 0.00 0.00 19.45 18.62 2c7h n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7h n ALA 47 N -1.70 2.43 0.00 0.00 0.00 -1.26 -4.42 120.51 115.56 2c7h n ALA 47 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2c7h n ALA 47 Cb 0.38 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2c7h n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2c7h n ASP 48 N 1.46 2.89 -4.26 0.00 -0.08 -1.12 -4.96 116.55 110.49 2c7h n ASP 48 Ca 0.19 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.33 2c7h n ASP 48 Cb 0.60 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.96 2c7h n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c7h s ASP 50 N -3.20 4.23 -0.17 0.00 -1.08 0.19 -4.29 116.67 112.34 2c7h s ASP 50 Ca 0.24 -1.20 -0.01 0.00 -0.52 0.00 0.00 52.55 51.07 2c7h s ASP 50 Cb 0.06 -0.41 -0.00 0.00 -1.46 0.00 0.00 42.92 41.11 2c7h s ASP 50 CO 0.05 -0.53 -0.13 -0.22 0.52 0.00 0.00 175.17 174.86 2c7h s LEU 51 N -3.84 2.57 -0.23 -1.34 2.96 -1.26 -1.10 118.68 116.43 2c7h s LEU 51 Ca 0.38 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 2c7h s LEU 51 Cb 0.06 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 2c7h s LEU 51 CO 0.20 0.05 0.10 -1.58 -1.32 0.00 0.00 176.35 173.81 2c7h s GLN 52 N 1.01 3.87 -0.13 1.98 2.00 0.17 -4.92 119.66 123.63 2c7h s GLN 52 Ca -0.01 -0.38 0.01 0.00 -2.00 0.00 0.00 55.36 52.98 2c7h s GLN 52 Cb -0.15 -3.38 -0.00 0.00 0.80 0.00 0.00 33.01 30.28 2c7h s GLN 52 CO -0.02 -0.00 -0.17 0.42 -0.50 0.00 0.00 175.29 175.01 2c7h s ILE 53 N 1.16 2.59 0.07 -2.34 1.09 -1.26 0.48 121.20 122.99 2c7h s ILE 53 Ca 0.05 -0.81 0.07 0.00 -1.10 0.00 0.00 60.65 58.87 2c7h s ILE 53 Cb -0.14 -2.07 -0.04 0.00 -1.06 0.00 0.00 42.46 39.16 2c7h s ILE 53 CO 0.04 0.53 -0.17 -0.89 -0.10 0.00 0.00 174.94 174.35 2c7h s THR 54 N 0.57 2.88 0.22 2.92 2.01 0.54 -0.53 115.64 124.25 2c7h s THR 54 Ca -0.10 -1.27 -0.30 0.00 0.31 0.00 0.00 61.69 60.33 2c7h s THR 54 Cb -0.16 -2.26 -0.08 0.00 0.01 0.00 0.00 72.50 70.01 2c7h s THR 54 CO 0.04 0.25 1.04 0.21 -0.69 0.00 0.00 174.62 175.47 2c7h s ASN 55 N -1.70 7.41 0.41 3.53 3.84 0.51 0.77 114.94 129.70 2c7h s ASN 55 Ca 0.16 2.07 0.22 0.00 0.21 0.00 0.00 52.86 55.52 2c7h s ASN 55 Cb -0.11 -2.61 0.35 0.00 -0.55 0.00 0.00 41.25 38.33 2c7h s ASN 55 CO 0.07 -0.07 1.60 0.00 -2.79 0.00 0.00 177.10 175.91 2c7h h ALA 56 N 4.50 0.92 0.00 1.71 0.00 -1.42 -2.06 119.26 122.91 2c7h h ALA 56 Ca -0.45 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 2c7h h ALA 56 Cb 1.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2c7h h ALA 56 CO 0.69 0.17 -1.47 1.04 0.00 0.00 0.00 179.25 179.68 2c7h n GLN 57 N -3.14 0.54 0.15 0.00 6.02 -1.25 -4.57 117.38 115.13 2c7h n GLN 57 Ca 0.03 0.28 0.12 0.00 -0.01 0.00 0.00 57.00 57.42 2c7h n GLN 57 Cb 0.57 -1.49 0.08 0.00 1.02 0.00 0.00 30.24 30.42 2c7h n GLN 57 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2c7h h THR 58 N -1.00 0.00 -1.00 5.09 1.35 -1.91 -3.47 112.91 111.97 2c7h h THR 58 Ca -0.25 -0.96 -0.35 0.00 -0.55 0.00 0.00 66.41 64.29 2c7h h THR 58 Cb 1.17 1.67 -0.13 0.00 -1.73 0.00 0.00 68.15 69.13 2c7h h THR 58 CO -0.15 0.00 -0.34 0.29 -0.25 0.00 0.00 175.52 175.07 2c7h n LYS 59 N -2.80 -1.23 -2.60 4.72 4.76 -0.77 -4.96 118.16 115.27 2c7h n LYS 59 Ca 0.02 1.08 -0.42 0.00 -2.87 0.00 0.00 58.31 56.12 2c7h n LYS 59 Cb 0.53 -5.35 -0.03 0.00 -1.84 0.00 0.00 35.03 28.35 2c7h n LYS 59 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2c7h s GLU 60 N -3.62 4.50 -0.16 1.97 2.56 -1.26 -4.65 118.70 118.03 2c7h s GLU 60 Ca 0.00 1.54 -0.16 0.00 0.00 0.00 0.00 54.97 56.35 2c7h s GLU 60 Cb 0.00 -3.43 -0.04 0.00 2.00 0.00 0.00 34.13 32.66 2c7h s GLU 60 CO 0.00 -0.15 0.41 -2.00 -0.56 0.00 0.00 175.26 172.96 2c7h s GLU 61 N 1.14 4.25 -0.71 4.30 2.12 -1.26 -0.36 118.70 128.18 2c7h s GLU 61 Ca 0.54 0.28 -0.18 0.00 0.36 0.00 0.00 54.97 55.98 2c7h s GLU 61 Cb -0.24 -3.48 0.13 0.00 0.26 0.00 0.00 34.13 30.80 2c7h s GLU 61 CO 0.28 0.08 0.81 0.71 -0.54 0.00 0.00 175.26 176.59 2c7h s TYR 62 N 0.93 3.17 -0.17 5.30 2.02 0.31 -4.81 117.35 124.10 2c7h s TYR 62 Ca 0.21 -1.25 0.21 0.00 -0.37 0.00 0.00 57.07 55.88 2c7h s TYR 62 Cb -0.15 -4.04 -0.10 0.00 -0.40 0.00 0.00 41.96 37.28 2c7h s TYR 62 CO 0.08 -1.28 0.86 0.25 -1.57 0.00 0.00 175.55 173.89 2c7h n THR 63 N 5.23 0.59 -3.67 -0.71 -2.24 -1.26 -4.06 114.28 108.15 2c7h n THR 63 Ca 0.02 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 60.87 2c7h n THR 63 Cb 0.45 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.28 2c7h n THR 63 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c7h s ASP 64 N -5.24 6.39 0.00 3.42 1.01 -1.26 -4.96 116.67 116.03 2c7h s ASP 64 Ca -0.03 0.46 0.21 0.00 0.71 0.00 0.00 52.55 53.90 2c7h s ASP 64 Cb 0.10 -2.14 1.10 0.00 1.01 0.00 0.00 42.92 42.99 2c7h s ASP 64 CO 0.82 0.22 1.64 -0.90 0.21 0.00 0.00 175.17 177.16 2c7h n ASP 65 N 3.01 0.00 0.00 0.27 5.68 -1.26 -1.46 116.55 122.79 2c7h n ASP 65 Ca -0.15 -0.19 0.13 0.00 -0.50 0.00 0.00 54.79 54.07 2c7h n ASP 65 Cb 0.53 -0.20 0.42 0.00 -1.14 0.00 0.00 41.12 40.72 2c7h n ASP 65 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2c7h n ASN 66 N -1.20 0.27 -4.75 -1.12 0.23 -1.26 -1.24 115.26 106.18 2c7h n ASN 66 Ca 0.11 0.10 -0.38 0.00 -0.53 0.00 0.00 54.58 53.88 2c7h n ASN 66 Cb 0.14 -0.10 0.04 0.00 -2.08 0.00 0.00 39.78 37.77 2c7h n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2c7h s ALA 67 N -3.00 2.86 -0.05 -2.53 0.00 -0.54 -4.69 121.76 113.80 2c7h s ALA 67 Ca 0.12 1.33 0.05 0.00 0.00 0.00 0.00 51.96 53.46 2c7h s ALA 67 Cb 0.18 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2c7h s ALA 67 CO 0.62 -1.33 -0.20 -0.48 0.00 0.00 0.00 175.76 174.36 2c7h s LEU 68 N -3.45 2.35 -0.25 0.00 0.05 -1.26 0.10 118.68 116.23 2c7h s LEU 68 Ca 0.70 -0.38 -0.00 0.00 0.05 0.00 0.00 54.13 54.50 2c7h s LEU 68 Cb -0.40 -1.45 0.03 0.00 -2.05 0.00 0.00 46.19 42.32 2c7h s LEU 68 CO 0.48 0.29 -0.08 -0.63 -0.55 0.00 0.00 176.35 175.85 2c7h s ILE 69 N -0.40 2.65 0.57 1.48 1.09 0.12 -4.92 121.20 121.79 2c7h s ILE 69 Ca 0.04 -1.16 -0.14 0.00 -1.10 0.00 0.00 60.65 58.29 2c7h s ILE 69 Cb -0.12 -2.37 -0.05 0.00 -1.06 0.00 0.00 42.46 38.85 2c7h s ILE 69 CO 0.02 0.18 1.01 -2.16 -0.10 0.00 0.00 174.94 173.89 2c7h s PRO 70 N 1.27 3.68 0.00 2.79 0.04 -1.26 -0.55 135.00 140.98 2c7h s PRO 70 Ca -0.01 0.92 0.13 0.00 0.04 0.00 0.00 61.00 62.08 2c7h s PRO 70 Cb -0.17 -2.09 0.61 0.00 0.04 0.00 0.00 34.50 32.88 2c7h s PRO 70 CO -0.05 -0.50 1.36 0.36 0.04 0.00 0.00 177.00 178.21 2c7h n LYS 71 N -2.13 0.11 0.03 4.56 -0.00 -0.65 -1.34 118.16 118.75 2c7h n LYS 71 Ca 0.07 0.21 0.13 0.00 -0.00 0.00 0.00 58.31 58.72 2c7h n LYS 71 Cb 0.54 -1.50 0.42 0.00 -0.00 0.00 0.00 35.03 34.49 2c7h n LYS 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2c7h n ASN 72 N -1.37 0.41 -4.60 -5.58 4.13 -1.26 -4.63 115.26 102.35 2c7h n ASN 72 Ca 0.05 0.30 -0.28 0.00 1.68 0.00 0.00 54.58 56.33 2c7h n ASN 72 Cb 0.12 -0.31 -0.09 0.00 -1.54 0.00 0.00 39.78 37.96 2c7h n ASN 72 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2c7h s SER 73 N -3.55 4.48 -0.13 6.41 0.01 -0.45 -5.11 113.70 115.36 2c7h s SER 73 Ca 0.11 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.92 2c7h s SER 73 Cb 0.16 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 2c7h s SER 73 CO 0.61 0.14 -0.05 -0.44 0.41 0.00 0.00 173.24 173.90 2c7h s SER 74 N -2.56 4.68 0.20 2.44 0.01 -1.26 -3.97 113.70 113.25 2c7h s SER 74 Ca 0.24 -0.12 0.07 0.00 1.31 0.00 0.00 55.95 57.45 2c7h s SER 74 Cb -0.10 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 2c7h s SER 74 CO 0.16 0.22 -0.13 0.68 0.41 0.00 0.00 173.24 174.58 2c7h s VAL 75 N 0.07 1.62 -0.12 3.43 -7.23 0.46 -1.15 120.40 117.49 2c7h s VAL 75 Ca -0.01 -2.18 -0.00 0.00 -1.81 0.00 0.00 61.98 57.98 2c7h s VAL 75 Cb -0.14 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 2c7h s VAL 75 CO 0.03 -0.59 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.50 2c7h s ILE 76 N -3.04 3.36 -0.16 -0.62 -1.09 0.23 -2.12 121.20 117.77 2c7h s ILE 76 Ca 0.22 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 58.04 2c7h s ILE 76 Cb 0.00 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 2c7h s ILE 76 CO 0.06 0.54 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.58 2c7h s VAL 77 N 0.03 3.86 0.12 2.92 1.01 0.12 -0.34 120.40 128.12 2c7h s VAL 77 Ca -0.03 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.66 2c7h s VAL 77 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2c7h s VAL 77 CO 0.04 0.49 -0.18 -0.60 0.00 0.00 0.00 175.10 174.85 2c7h s ARG 78 N 0.39 1.10 -0.17 2.72 3.52 0.18 -1.24 118.95 125.45 2c7h s ARG 78 Ca -0.04 -1.21 -0.03 0.00 -0.13 0.00 0.00 55.73 54.31 2c7h s ARG 78 Cb -0.14 -1.21 -0.02 0.00 -1.56 0.00 0.00 34.95 32.02 2c7h s ARG 78 CO 0.03 0.26 -0.05 0.50 -0.81 0.00 0.00 175.30 175.23 2c7h s ARG 79 N -2.26 3.57 0.16 5.12 3.52 -1.26 0.41 118.95 128.20 2c7h s ARG 79 Ca 0.08 -0.56 0.04 0.00 -0.13 0.00 0.00 55.73 55.15 2c7h s ARG 79 Cb -0.08 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 2c7h s ARG 79 CO 0.04 0.14 -0.06 0.96 -0.81 0.00 0.00 175.30 175.57 2c7h s ILE 80 N 0.61 1.01 0.30 4.11 -5.25 -0.25 -4.89 121.20 116.83 2c7h s ILE 80 Ca -0.03 -2.03 -0.29 0.00 -0.99 0.00 0.00 60.65 57.31 2c7h s ILE 80 Cb -0.15 -1.95 -0.10 0.00 2.95 0.00 0.00 42.46 43.22 2c7h s ILE 80 CO 0.03 -0.65 1.34 -2.16 -1.79 0.00 0.00 174.94 171.70 2c7h s PRO 81 N -3.80 4.34 0.34 0.37 0.04 -1.26 0.54 135.00 135.56 2c7h s PRO 81 Ca 0.19 2.22 0.02 0.00 0.04 0.00 0.00 61.00 63.46 2c7h s PRO 81 Cb 0.04 -3.09 0.59 0.00 0.04 0.00 0.00 34.50 32.07 2c7h s PRO 81 CO 0.02 -0.25 1.96 -0.84 0.04 0.00 0.00 177.00 177.92 2c7h h ILE 82 N 3.24 1.18 0.00 0.56 3.07 -1.70 -3.41 117.51 120.45 2c7h h ILE 82 Ca -0.48 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.47 2c7h h ILE 82 Cb 1.22 0.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.20 2c7h h ILE 82 CO 0.70 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 178.61 2c7h n GLY 83 N -1.25 0.25 0.13 0.16 0.00 -1.26 -4.93 105.19 98.29 2c7h n GLY 83 Ca 0.05 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2c7h n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2c7h h GLY 84 N 0.00 0.40 -7.19 -0.02 0.00 -1.95 -3.38 103.07 90.93 2c7h h GLY 84 Ca 0.00 -1.03 -0.44 0.00 0.00 0.00 0.00 47.33 45.86 2c7h h GLY 84 CO 0.00 0.90 1.09 0.14 0.00 0.00 0.00 176.54 178.68 2c7h s VAL 85 N -2.52 3.66 0.00 4.60 1.01 -1.26 -5.22 120.40 120.66 2c7h s VAL 85 Ca -0.16 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2c7h s VAL 85 Cb 0.04 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2c7h s VAL 85 CO 0.84 -1.40 0.00 2.29 0.00 0.00 0.00 175.10 176.83