#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 -0.42 0.00 1.61 0.11 -2.03 -2.08 132.00 129.20 2c7h h PRO 2 Ca 0.00 0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 2c7h h PRO 2 Cb 0.00 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 2c7h h PRO 2 CO 0.00 -0.22 -0.36 1.37 -0.21 0.00 0.00 178.00 178.58 2c7h h LEU 3 N -0.54 0.00 -6.68 2.35 8.10 -2.14 -3.36 115.31 113.04 2c7h h LEU 3 Ca -0.04 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.35 2c7h h LEU 3 Cb 0.40 0.00 -0.39 0.00 -0.44 0.00 0.00 40.66 40.23 2c7h h LEU 3 CO 0.07 0.36 -0.83 -0.83 -4.11 0.00 0.00 178.44 173.11 2c7h s GLY 4 N -4.36 1.47 -1.29 0.17 0.00 -1.18 -5.02 107.32 97.11 2c7h s GLY 4 Ca 0.01 -2.53 -0.14 0.00 0.00 0.00 0.00 44.72 42.06 2c7h s GLY 4 CO 0.68 1.82 1.76 1.44 0.00 0.00 0.00 173.10 178.81 2c7h n SER 5 N 3.21 4.88 -4.88 1.64 7.64 -0.79 -0.98 113.62 124.35 2c7h n SER 5 Ca 0.18 -2.97 -0.30 0.00 1.01 0.00 0.00 58.87 56.79 2c7h n SER 5 Cb 0.40 -1.61 0.03 0.00 -1.01 0.00 0.00 64.21 62.01 2c7h n SER 5 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2c7h s MET 6 N 2.30 3.20 -0.24 1.43 -1.94 -1.26 -4.94 119.30 117.86 2c7h s MET 6 Ca 0.46 0.54 -0.02 0.00 -1.71 0.00 0.00 55.69 54.96 2c7h s MET 6 Cb 0.05 -2.08 0.02 0.00 2.01 0.00 0.00 34.83 34.83 2c7h s MET 6 CO 0.01 -0.79 -0.07 -1.12 -0.01 0.00 0.00 175.02 173.04 2c7h s SER 7 N -4.27 4.21 -0.02 3.03 0.01 -1.25 -4.83 113.70 110.58 2c7h s SER 7 Ca 0.56 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2c7h s SER 7 Cb -0.11 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.48 2c7h s SER 7 CO 0.52 -0.10 -0.00 0.00 0.41 0.00 0.00 173.24 174.07 2c7h s VAL 9 N 0.64 4.38 -0.25 0.00 1.01 -0.73 -4.49 120.40 120.97 2c7h s VAL 9 Ca -0.06 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 2c7h s VAL 9 Cb -0.09 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2c7h s VAL 9 CO -0.01 0.48 0.67 -1.00 0.00 0.00 0.00 175.10 175.24 2c7h s HIS 10 N 0.29 3.29 -0.01 5.22 3.76 -1.25 -1.40 115.29 125.20 2c7h s HIS 10 Ca 0.00 0.89 0.03 0.00 -0.15 0.00 0.00 55.06 55.83 2c7h s HIS 10 Cb -0.13 -2.88 -0.01 0.00 1.11 0.00 0.00 32.58 30.67 2c7h s HIS 10 CO 0.01 -0.33 -0.09 1.52 -0.85 0.00 0.00 174.74 175.00 2c7h s TYR 11 N 2.55 0.82 0.11 1.40 1.13 -0.04 -0.16 117.35 123.16 2c7h s TYR 11 Ca 0.28 -0.16 0.10 0.00 -1.41 0.00 0.00 57.07 55.89 2c7h s TYR 11 Cb -0.15 -0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 40.14 2c7h s TYR 11 CO 0.08 -0.02 -0.27 -1.59 -2.51 0.00 0.00 175.55 171.25 2c7h s LYS 12 N -0.21 1.49 0.61 -3.49 -2.85 -0.45 0.21 119.74 115.05 2c7h s LYS 12 Ca 0.03 -1.28 -0.06 0.00 -1.00 0.00 0.00 55.97 53.66 2c7h s LYS 12 Cb -0.04 -1.90 0.02 0.00 -2.06 0.00 0.00 37.83 33.85 2c7h s LYS 12 CO -0.00 0.46 0.92 0.12 0.10 0.00 0.00 175.35 176.95 2c7h s PHE 13 N -0.99 3.21 0.38 1.78 2.19 -1.25 0.13 117.98 123.42 2c7h s PHE 13 Ca 0.13 0.63 0.11 0.00 0.33 0.00 0.00 56.93 58.13 2c7h s PHE 13 Cb -0.10 -2.81 0.75 0.00 -1.31 0.00 0.00 43.02 39.56 2c7h s PHE 13 CO 0.05 -0.91 1.86 1.03 1.83 0.00 0.00 175.22 179.08 2c7h h SER 14 N -0.24 0.10 0.21 6.13 0.87 -1.27 -3.16 113.55 116.17 2c7h h SER 14 Ca -0.45 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 2c7h h SER 14 Cb 1.26 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2c7h h SER 14 CO 0.61 0.38 -0.10 -1.28 -0.53 0.00 0.00 176.83 175.90 2c7h h SER 15 N 0.09 -0.23 -3.95 6.23 0.87 -1.92 -3.45 113.55 111.18 2c7h h SER 15 Ca 0.01 -0.20 -0.52 0.00 -1.23 0.00 0.00 61.79 59.85 2c7h h SER 15 Cb 0.54 0.06 0.07 0.00 -0.44 0.00 0.00 62.40 62.63 2c7h h SER 15 CO 0.04 0.30 0.57 -0.54 -0.53 0.00 0.00 176.83 176.66 2c7h s LYS 16 N -2.96 3.98 -0.10 2.24 1.02 -1.19 -4.96 119.74 117.77 2c7h s LYS 16 Ca -0.09 2.04 -0.02 0.00 0.02 0.00 0.00 55.97 57.92 2c7h s LYS 16 Cb 0.00 -2.72 -0.26 0.00 -0.52 0.00 0.00 37.83 34.34 2c7h s LYS 16 CO 0.32 -0.44 0.44 1.28 -0.92 0.00 0.00 175.35 176.03 2c7h n LEU 17 N 0.09 2.23 -4.97 3.17 7.99 -1.26 -3.92 117.00 120.32 2c7h n LEU 17 Ca 0.04 0.26 -0.20 0.00 -0.01 0.00 0.00 56.01 56.10 2c7h n LEU 17 Cb 0.45 -0.82 -0.01 0.00 -0.11 0.00 0.00 43.42 42.92 2c7h n LEU 17 CO 0.54 0.75 0.00 0.20 -1.51 0.00 0.00 177.39 177.37 2c7h s ASN 18 N -6.83 6.01 0.32 -1.43 0.01 -1.26 -4.98 114.94 106.79 2c7h s ASN 18 Ca -0.18 -0.13 -0.11 0.00 -0.71 0.00 0.00 52.86 51.73 2c7h s ASN 18 Cb 0.07 -1.43 -0.07 0.00 0.41 0.00 0.00 41.25 40.23 2c7h s ASN 18 CO 0.78 -0.29 0.68 -0.31 -1.51 0.00 0.00 177.10 176.46 2c7h s TYR 19 N -2.12 3.43 0.47 2.20 1.51 -1.26 -4.52 117.35 117.06 2c7h s TYR 19 Ca 0.40 1.00 0.03 0.00 -1.01 0.00 0.00 57.07 57.49 2c7h s TYR 19 Cb -0.09 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 2c7h s TYR 19 CO 0.30 0.08 0.02 0.34 -1.11 0.00 0.00 175.55 175.18 2c7h s ASP 20 N -2.70 3.84 -0.04 2.29 -1.08 0.13 -4.89 116.67 114.22 2c7h s ASP 20 Ca 0.50 -1.60 0.01 0.00 -0.52 0.00 0.00 52.55 50.94 2c7h s ASP 20 Cb -0.11 0.35 0.02 0.00 -1.46 0.00 0.00 42.92 41.72 2c7h s ASP 20 CO 0.24 -0.79 -0.06 0.42 0.52 0.00 0.00 175.17 175.50 2c7h s THR 21 N -2.91 0.65 -0.31 1.71 -4.23 -1.25 -0.86 115.64 108.44 2c7h s THR 21 Ca 0.14 -0.21 -0.16 0.00 -1.18 0.00 0.00 61.69 60.28 2c7h s THR 21 Cb 0.03 -0.64 -0.02 0.00 1.34 0.00 0.00 72.50 73.21 2c7h s THR 21 CO 0.07 0.24 0.41 0.68 -0.54 0.00 0.00 174.62 175.48 2c7h s VAL 22 N 0.71 5.13 -0.22 2.29 -7.23 -0.49 -4.87 120.40 115.72 2c7h s VAL 22 Ca -0.10 0.37 -0.24 0.00 -1.81 0.00 0.00 61.98 60.20 2c7h s VAL 22 Cb -0.13 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 32.99 2c7h s VAL 22 CO 0.01 -0.01 0.78 0.42 -0.31 0.00 0.00 175.10 175.98 2c7h s THR 23 N 2.14 4.89 0.09 5.32 -4.23 -1.26 -1.78 115.64 120.82 2c7h s THR 23 Ca 0.15 1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 62.09 2c7h s THR 23 Cb -0.16 -4.07 -0.02 0.00 1.34 0.00 0.00 72.50 69.58 2c7h s THR 23 CO 0.11 -0.01 0.10 0.72 -0.54 0.00 0.00 174.62 175.00 2c7h s PHE 24 N 2.49 0.44 -0.17 3.99 -0.71 -0.33 -5.01 117.98 118.68 2c7h s PHE 24 Ca 0.34 -0.90 -0.08 0.00 -1.04 0.00 0.00 56.93 55.24 2c7h s PHE 24 Cb -0.16 -0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.35 2c7h s PHE 24 CO 0.09 -0.50 0.11 -0.51 -1.34 0.00 0.00 175.22 173.07 2c7h s ASP 25 N -2.93 6.07 0.00 1.98 1.01 -1.26 -3.79 116.67 117.75 2c7h s ASP 25 Ca 0.11 0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.61 2c7h s ASP 25 Cb 0.06 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.96 2c7h s ASP 25 CO -0.07 0.24 0.00 0.61 0.21 0.00 0.00 175.17 176.16 2c7h n GLY 26 N 3.14 0.74 0.08 0.21 0.00 -1.26 -4.88 105.19 103.22 2c7h n GLY 26 Ca -0.17 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 2c7h n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2c7h n LEU 27 N 0.00 1.65 -3.93 0.99 7.94 -1.26 -4.73 117.00 117.66 2c7h n LEU 27 Ca 0.00 -0.05 -0.09 0.00 -1.11 0.00 0.00 56.01 54.76 2c7h n LEU 27 Cb 0.00 -0.18 -0.09 0.00 0.53 0.00 0.00 43.42 43.68 2c7h n LEU 27 CO 0.00 0.58 -0.19 -1.38 -1.11 0.00 0.00 177.39 175.29 2c7h s HIS 28 N -2.33 0.22 -0.07 1.96 -3.43 -1.26 -1.16 115.29 109.22 2c7h s HIS 28 Ca -0.16 -0.59 0.03 0.00 -0.80 0.00 0.00 55.06 53.55 2c7h s HIS 28 Cb 0.05 -0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.06 2c7h s HIS 28 CO 0.46 -0.42 -0.16 -1.50 -2.00 0.00 0.00 174.74 171.12 2c7h s ILE 29 N -3.12 1.41 0.48 -5.38 2.07 0.05 -4.92 121.20 111.79 2c7h s ILE 29 Ca -0.01 -0.65 -0.23 0.00 -1.41 0.00 0.00 60.65 58.35 2c7h s ILE 29 Cb 0.02 -1.25 -0.07 0.00 0.13 0.00 0.00 42.46 41.29 2c7h s ILE 29 CO -0.07 0.41 1.28 -0.44 -1.91 0.00 0.00 174.94 174.21 2c7h s SER 30 N 0.45 5.82 0.19 4.50 0.01 -1.26 0.09 113.70 123.50 2c7h s SER 30 Ca -0.13 2.58 -0.12 0.00 1.31 0.00 0.00 55.95 59.59 2c7h s SER 30 Cb -0.15 -2.62 0.21 0.00 0.21 0.00 0.00 66.02 63.66 2c7h s SER 30 CO 0.05 -1.18 1.75 0.25 0.41 0.00 0.00 173.24 174.52 2c7h h LEU 31 N 1.94 0.20 -0.75 2.44 5.85 0.64 0.24 115.31 125.86 2c7h h LEU 31 Ca -0.50 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.32 2c7h h LEU 31 Cb 1.27 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 2c7h h LEU 31 CO 0.59 0.14 0.48 0.00 -0.34 0.00 0.00 178.44 179.31 2c7h h ASP 33 N 0.93 0.70 -0.36 0.00 5.19 -1.57 -0.13 116.42 121.17 2c7h h ASP 33 Ca 0.30 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2c7h h ASP 33 Cb 0.02 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 2c7h h ASP 33 CO -0.11 0.78 0.23 0.25 -3.12 0.00 0.00 179.24 177.27 2c7h h LEU 34 N 0.60 0.42 -0.55 1.55 7.12 0.11 -0.61 115.31 123.95 2c7h h LEU 34 Ca 0.14 -0.02 -0.10 0.00 0.13 0.00 0.00 57.88 58.02 2c7h h LEU 34 Cb 0.37 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 2c7h h LEU 34 CO 0.01 0.32 -0.06 0.11 -0.13 0.00 0.00 178.44 178.69 2c7h h LYS 35 N 0.49 1.00 -0.39 1.25 1.57 -0.35 -2.09 116.57 118.04 2c7h h LYS 35 Ca 0.13 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2c7h h LYS 35 Cb -0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2c7h h LYS 35 CO -0.03 1.03 0.15 0.87 -0.57 0.00 0.00 179.45 180.91 2c7h h LYS 36 N 0.88 0.55 0.01 3.15 6.56 -0.51 0.40 116.57 127.61 2c7h h LYS 36 Ca 0.15 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2c7h h LYS 36 Cb 0.62 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.17 2c7h h LYS 36 CO 0.04 0.46 -0.00 1.96 -2.06 0.00 0.00 179.45 179.85 2c7h h GLN 37 N 0.55 -0.01 -0.13 3.15 1.08 -0.71 -1.76 115.11 117.29 2c7h h GLN 37 Ca 0.14 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 2c7h h GLN 37 Cb 0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2c7h h GLN 37 CO -0.01 0.26 -0.07 0.82 -0.95 0.00 0.00 178.83 178.87 2c7h h ILE 38 N -0.28 1.32 -0.46 2.54 2.04 -0.93 -0.85 117.51 120.89 2c7h h ILE 38 Ca -0.00 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 2c7h h ILE 38 Cb 0.28 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2c7h h ILE 38 CO 0.00 0.33 0.19 0.24 0.00 0.00 0.00 178.15 178.91 2c7h h MET 39 N -0.06 0.69 -0.49 2.37 2.86 -0.30 0.76 114.93 120.76 2c7h h MET 39 Ca 0.03 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 2c7h h MET 39 Cb 0.55 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2c7h h MET 39 CO 0.02 0.62 -0.15 0.78 1.06 0.00 0.00 176.91 179.24 2c7h h GLY 40 N 0.61 1.02 0.80 8.32 0.00 -1.32 0.23 103.07 112.72 2c7h h GLY 40 Ca 0.16 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 2c7h h GLY 40 CO -0.01 0.77 -0.06 -0.09 0.00 0.00 0.00 176.54 177.14 2c7h h ARG 41 N 0.83 -0.16 -0.65 4.80 2.43 -0.75 -3.24 114.38 117.64 2c7h h ARG 41 Ca 0.12 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2c7h h ARG 41 Cb 0.70 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2c7h h ARG 41 CO 0.05 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 178.97 2c7h n GLU 42 N -5.07 2.75 -3.08 0.20 1.02 0.22 -4.92 120.64 111.77 2c7h n GLU 42 Ca -0.09 -2.40 -0.15 0.00 -0.02 0.00 0.00 57.16 54.51 2c7h n GLU 42 Cb 0.17 -1.59 0.04 0.00 -0.02 0.00 0.00 31.44 30.04 2c7h n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2c7h n LYS 43 N 1.30 -4.51 -1.62 3.49 4.76 -0.16 -5.01 118.16 116.41 2c7h n LYS 43 Ca 0.22 0.52 -0.29 0.00 -2.87 0.00 0.00 58.31 55.89 2c7h n LYS 43 Cb 0.62 -4.62 0.10 0.00 -1.84 0.00 0.00 35.03 29.29 2c7h n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2c7h s LEU 44 N -4.77 2.39 -0.46 -0.35 1.02 0.63 -5.01 118.68 112.14 2c7h s LEU 44 Ca 0.32 1.10 -0.10 0.00 0.02 0.00 0.00 54.13 55.47 2c7h s LEU 44 Cb -0.14 -3.60 0.10 0.00 0.02 0.00 0.00 46.19 42.56 2c7h s LEU 44 CO 0.40 -2.12 0.33 -1.59 0.02 0.00 0.00 176.35 173.39 2c7h s LYS 45 N -5.27 2.62 0.18 1.70 0.00 -1.26 -4.80 119.74 112.90 2c7h s LYS 45 Ca 0.62 -1.60 0.25 0.00 0.00 0.00 0.00 55.97 55.24 2c7h s LYS 45 Cb -0.14 -3.92 0.91 0.00 0.00 0.00 0.00 37.83 34.67 2c7h s LYS 45 CO 0.53 -1.10 1.76 0.00 0.00 0.00 0.00 175.35 176.54 2c7h n ALA 46 N 4.97 2.08 1.23 0.59 0.00 -1.26 -1.41 120.51 126.71 2c7h n ALA 46 Ca -0.10 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.47 2c7h n ALA 46 Cb 0.42 -1.43 0.51 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.72 2.89 0.00 0.00 0.00 -1.26 -4.20 120.51 116.22 2c7h n ALA 47 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2c7h n ALA 47 Cb 0.35 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.14 3.14 -4.32 0.00 2.03 -1.12 -5.04 116.55 110.11 2c7h n ASP 48 Ca 0.11 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.25 2c7h n ASP 48 Cb 0.31 0.23 -0.10 0.00 -0.72 0.00 0.00 41.12 40.84 2c7h n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2c7h s ASP 50 N -3.27 4.02 -0.21 0.00 -1.08 0.23 -4.13 116.67 112.22 2c7h s ASP 50 Ca 0.22 -1.36 0.00 0.00 -0.52 0.00 0.00 52.55 50.90 2c7h s ASP 50 Cb 0.02 -0.28 0.02 0.00 -1.46 0.00 0.00 42.92 41.23 2c7h s ASP 50 CO 0.05 -0.53 -0.15 -0.22 0.52 0.00 0.00 175.17 174.84 2c7h s LEU 51 N -3.77 2.57 -0.24 -1.34 2.96 -1.26 -0.44 118.68 117.16 2c7h s LEU 51 Ca 0.32 -0.78 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 2c7h s LEU 51 Cb 0.08 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 2c7h s LEU 51 CO 0.17 -0.05 0.14 -1.58 -1.32 0.00 0.00 176.35 173.71 2c7h s GLN 52 N 1.28 3.96 -0.14 1.98 2.00 0.19 -4.91 119.66 124.02 2c7h s GLN 52 Ca 0.02 -0.32 -0.03 0.00 -2.00 0.00 0.00 55.36 53.03 2c7h s GLN 52 Cb -0.15 -3.50 -0.02 0.00 0.80 0.00 0.00 33.01 30.14 2c7h s GLN 52 CO -0.09 -0.01 -0.06 0.42 -0.50 0.00 0.00 175.29 175.04 2c7h s ILE 53 N 1.24 3.70 -0.04 -2.34 -1.09 -1.22 -0.43 121.20 121.03 2c7h s ILE 53 Ca 0.07 -0.43 0.06 0.00 -2.23 0.00 0.00 60.65 58.11 2c7h s ILE 53 Cb -0.14 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 2c7h s ILE 53 CO 0.06 0.51 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.18 2c7h s THR 54 N 0.27 2.55 0.27 2.92 2.01 0.10 0.16 115.64 123.92 2c7h s THR 54 Ca -0.05 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 2c7h s THR 54 Cb -0.14 -1.95 -0.10 0.00 0.01 0.00 0.00 72.50 70.32 2c7h s THR 54 CO 0.03 0.58 1.40 0.21 -0.69 0.00 0.00 174.62 176.16 2c7h s ASN 55 N -0.62 6.68 0.30 3.53 3.84 0.92 0.92 114.94 130.52 2c7h s ASN 55 Ca 0.09 2.67 0.16 0.00 0.21 0.00 0.00 52.86 55.99 2c7h s ASN 55 Cb -0.11 -2.63 0.32 0.00 -0.55 0.00 0.00 41.25 38.28 2c7h s ASN 55 CO 0.00 -0.66 1.56 0.00 -2.79 0.00 0.00 177.10 175.21 2c7h h ALA 56 N 4.53 0.79 0.00 1.71 0.00 -0.94 -1.68 119.26 123.67 2c7h h ALA 56 Ca -0.47 -0.46 -0.29 0.00 0.00 0.00 0.00 54.91 53.69 2c7h h ALA 56 Cb 1.22 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2c7h h ALA 56 CO 0.74 0.63 -1.74 1.04 0.00 0.00 0.00 179.25 179.92 2c7h n GLN 57 N -3.39 0.56 0.09 0.00 6.02 -1.26 -4.53 117.38 114.87 2c7h n GLN 57 Ca 0.01 0.39 0.12 0.00 -0.01 0.00 0.00 57.00 57.50 2c7h n GLN 57 Cb 0.65 -1.59 0.03 0.00 1.02 0.00 0.00 30.24 30.36 2c7h n GLN 57 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2c7h n THR 58 N -4.37 0.53 -1.58 5.09 -2.24 -1.26 -4.94 114.28 105.51 2c7h n THR 58 Ca -0.38 -0.47 -0.15 0.00 -2.27 0.00 0.00 64.05 60.78 2c7h n THR 58 Cb 0.72 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 2c7h n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2c7h n LYS 59 N -2.51 -1.05 -2.21 -0.78 4.76 -0.63 -4.96 118.16 110.78 2c7h n LYS 59 Ca 0.01 0.96 -0.42 0.00 -2.87 0.00 0.00 58.31 55.98 2c7h n LYS 59 Cb 0.52 -5.12 -0.03 0.00 -1.84 0.00 0.00 35.03 28.57 2c7h n LYS 59 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2c7h s GLU 60 N -3.51 4.23 -0.29 1.97 2.02 -1.26 -4.59 118.70 117.27 2c7h s GLU 60 Ca 0.00 1.95 -0.20 0.00 0.02 0.00 0.00 54.97 56.74 2c7h s GLU 60 Cb 0.00 -3.79 -0.01 0.00 0.10 0.00 0.00 34.13 30.43 2c7h s GLU 60 CO 0.00 -0.72 0.63 -1.21 0.02 0.00 0.00 175.26 173.98 2c7h s GLU 61 N 3.35 3.95 -0.87 1.61 2.02 -1.26 -0.06 118.70 127.45 2c7h s GLU 61 Ca 0.65 0.35 -0.20 0.00 0.02 0.00 0.00 54.97 55.78 2c7h s GLU 61 Cb -0.29 -3.71 0.10 0.00 0.10 0.00 0.00 34.13 30.33 2c7h s GLU 61 CO 0.24 -0.53 1.13 0.71 0.02 0.00 0.00 175.26 176.82 2c7h s TYR 62 N 2.58 2.90 -0.35 1.61 2.02 0.12 -4.76 117.35 121.48 2c7h s TYR 62 Ca 0.25 -1.07 0.23 0.00 -0.37 0.00 0.00 57.07 56.11 2c7h s TYR 62 Cb -0.15 -4.35 -0.03 0.00 -0.40 0.00 0.00 41.96 37.03 2c7h s TYR 62 CO 0.11 -1.61 0.95 0.25 -1.57 0.00 0.00 175.55 173.68 2c7h n THR 63 N 5.82 0.33 -3.82 -0.71 -2.24 -1.26 -3.42 114.28 108.98 2c7h n THR 63 Ca 0.17 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 2c7h n THR 63 Cb 0.48 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 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 -4.63 5.95 0.00 3.42 1.01 -1.26 -4.97 116.67 116.19 2c7h s ASP 64 Ca -0.00 0.14 0.12 0.00 0.71 0.00 0.00 52.55 53.52 2c7h s ASP 64 Cb 0.12 -2.04 0.55 0.00 1.01 0.00 0.00 42.92 42.57 2c7h s ASP 64 CO 0.81 0.15 1.30 -0.90 0.21 0.00 0.00 175.17 176.75 2c7h n ASP 65 N 3.70 0.00 -0.37 0.27 5.75 -1.26 -0.82 116.55 123.82 2c7h n ASP 65 Ca -0.16 0.24 0.13 0.00 -0.01 0.00 0.00 54.79 54.99 2c7h n ASP 65 Cb 0.52 -0.35 0.41 0.00 -1.03 0.00 0.00 41.12 40.67 2c7h n ASP 65 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2c7h n ASN 66 N -1.35 1.31 -4.77 -1.12 3.02 -1.26 -1.39 115.26 109.69 2c7h n ASN 66 Ca 0.05 -1.19 -0.35 0.00 -0.03 0.00 0.00 54.58 53.06 2c7h n ASN 66 Cb 0.11 0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.37 2c7h n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c7h s ALA 67 N -2.29 2.65 -0.04 5.41 0.00 0.00 -4.73 121.76 122.76 2c7h s ALA 67 Ca 0.30 0.82 0.06 0.00 0.00 0.00 0.00 51.96 53.13 2c7h s ALA 67 Cb 0.20 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 2c7h s ALA 67 CO 0.44 -0.87 -0.22 -0.48 0.00 0.00 0.00 175.76 174.63 2c7h s LEU 68 N -3.95 2.28 -0.23 0.00 0.05 -1.26 0.95 118.68 116.53 2c7h s LEU 68 Ca 0.73 -0.40 -0.00 0.00 0.05 0.00 0.00 54.13 54.51 2c7h s LEU 68 Cb -0.24 -1.42 0.03 0.00 -2.05 0.00 0.00 46.19 42.50 2c7h s LEU 68 CO 0.29 0.30 -0.11 -0.63 -0.55 0.00 0.00 176.35 175.65 2c7h s ILE 69 N -0.49 2.54 0.61 1.48 1.09 0.11 -4.92 121.20 121.62 2c7h s ILE 69 Ca 0.06 -1.07 -0.12 0.00 -1.10 0.00 0.00 60.65 58.42 2c7h s ILE 69 Cb -0.11 -2.25 -0.04 0.00 -1.06 0.00 0.00 42.46 38.99 2c7h s ILE 69 CO 0.01 0.28 1.02 -2.16 -0.10 0.00 0.00 174.94 173.99 2c7h s PRO 70 N 1.28 3.60 0.02 2.79 0.04 -1.26 -0.77 135.00 140.70 2c7h s PRO 70 Ca 0.00 0.82 0.10 0.00 0.04 0.00 0.00 61.00 61.97 2c7h s PRO 70 Cb -0.16 -2.08 0.45 0.00 0.04 0.00 0.00 34.50 32.75 2c7h s PRO 70 CO -0.07 -0.57 1.33 0.36 0.04 0.00 0.00 177.00 178.09 2c7h n LYS 71 N -2.54 0.01 0.00 4.56 -0.00 -0.31 -1.51 118.16 118.38 2c7h n LYS 71 Ca 0.06 0.34 0.14 0.00 -0.00 0.00 0.00 58.31 58.85 2c7h n LYS 71 Cb 0.54 -1.52 0.51 0.00 -0.00 0.00 0.00 35.03 34.56 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 -1.54 0.86 -4.59 -5.58 3.02 -1.26 -4.62 115.26 101.54 2c7h n ASN 72 Ca 0.02 -0.88 -0.29 0.00 -0.03 0.00 0.00 54.58 53.40 2c7h n ASN 72 Cb 0.12 0.03 -0.09 0.00 -0.61 0.00 0.00 39.78 39.22 2c7h n ASN 72 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2c7h s SER 73 N -2.39 4.46 -0.18 6.41 0.01 -0.57 -5.10 113.70 116.34 2c7h s SER 73 Ca 0.29 -0.39 -0.04 0.00 1.31 0.00 0.00 55.95 57.12 2c7h s SER 73 Cb 0.20 -0.87 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 2c7h s SER 73 CO 0.47 0.16 -0.03 -0.94 0.41 0.00 0.00 173.24 173.30 2c7h s SER 74 N -2.36 4.67 0.29 2.44 1.04 -1.26 -3.74 113.70 114.78 2c7h s SER 74 Ca 0.23 -0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.52 2c7h s SER 74 Cb -0.11 -1.78 -0.06 0.00 0.10 0.00 0.00 66.02 64.18 2c7h s SER 74 CO 0.15 0.11 -0.07 0.68 0.98 0.00 0.00 173.24 175.09 2c7h s VAL 75 N 0.74 1.76 -0.04 5.02 -7.23 0.78 -0.30 120.40 121.12 2c7h s VAL 75 Ca -0.01 -2.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.06 2c7h s VAL 75 Cb -0.14 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 2c7h s VAL 75 CO 0.02 -0.28 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.70 2c7h s ILE 76 N -2.93 1.61 -0.18 -0.62 1.01 0.26 -1.34 121.20 119.00 2c7h s ILE 76 Ca 0.30 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 2c7h s ILE 76 Cb 0.03 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2c7h s ILE 76 CO 0.13 0.46 0.06 -0.69 0.00 0.00 0.00 174.94 174.89 2c7h s VAL 77 N -0.09 4.71 -0.01 2.92 1.01 0.12 0.01 120.40 129.07 2c7h s VAL 77 Ca -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2c7h s VAL 77 Cb -0.11 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2c7h s VAL 77 CO 0.02 0.45 -0.14 -0.60 0.00 0.00 0.00 175.10 174.83 2c7h s ARG 78 N 0.45 1.14 -0.17 2.72 3.52 0.43 -0.67 118.95 126.37 2c7h s ARG 78 Ca 0.03 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 54.97 2c7h s ARG 78 Cb -0.13 -1.11 -0.05 0.00 -1.56 0.00 0.00 34.95 32.10 2c7h s ARG 78 CO 0.01 0.30 0.19 0.50 -0.81 0.00 0.00 175.30 175.49 2c7h s ARG 79 N -0.43 4.08 0.11 5.12 3.52 -1.26 0.54 118.95 130.63 2c7h s ARG 79 Ca 0.05 -0.09 0.06 0.00 -0.13 0.00 0.00 55.73 55.62 2c7h s ARG 79 Cb -0.06 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 2c7h s ARG 79 CO -0.00 0.37 -0.15 0.96 -0.81 0.00 0.00 175.30 175.67 2c7h s ILE 80 N 0.12 1.35 0.17 4.11 -5.25 0.42 -4.87 121.20 117.25 2c7h s ILE 80 Ca 0.12 -1.60 -0.30 0.00 -0.99 0.00 0.00 60.65 57.88 2c7h s ILE 80 Cb -0.12 -1.43 -0.08 0.00 2.95 0.00 0.00 42.46 43.79 2c7h s ILE 80 CO 0.01 -0.31 1.16 -2.16 -1.79 0.00 0.00 174.94 171.85 2c7h s PRO 81 N -2.33 4.52 0.16 0.37 0.04 -1.26 0.75 135.00 137.25 2c7h s PRO 81 Ca 0.06 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 2c7h s PRO 81 Cb -0.07 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.23 2c7h s PRO 81 CO 0.03 -0.05 1.60 -0.84 0.04 0.00 0.00 177.00 177.78 2c7h h ILE 82 N 3.84 1.27 -0.05 0.56 3.07 -1.76 -3.20 117.51 121.24 2c7h h ILE 82 Ca -0.44 -1.16 -0.11 0.00 1.55 0.00 0.00 64.86 64.69 2c7h h ILE 82 Cb 1.21 0.97 0.01 0.00 -0.27 0.00 0.00 36.82 38.74 2c7h h ILE 82 CO 0.75 0.41 -0.42 1.23 -1.05 0.00 0.00 178.15 179.07 2c7h h GLY 83 N 0.82 0.41 0.00 0.16 0.00 -1.93 -3.49 103.07 99.04 2c7h h GLY 83 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2c7h h GLY 83 CO 0.04 0.55 0.00 0.61 0.00 0.00 0.00 176.54 177.74 2c7h n GLY 84 N 0.84 1.43 3.60 4.60 0.00 -1.21 -4.97 105.19 109.48 2c7h n GLY 84 Ca -0.09 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 2c7h n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c7h s VAL 85 N 0.00 3.91 0.00 1.61 1.01 -1.26 -4.85 120.40 120.82 2c7h s VAL 85 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2c7h s VAL 85 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2c7h s VAL 85 CO 0.00 -0.77 0.42 0.29 0.00 0.00 0.00 175.10 175.05