#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7h s PRO 2 N 0.00 3.31 -0.67 1.61 0.04 -1.26 -4.93 135.00 133.11 2c7h s PRO 2 Ca 0.00 1.58 -0.24 0.00 0.04 0.00 0.00 61.00 62.37 2c7h s PRO 2 Cb 0.00 -4.23 0.05 0.00 0.04 0.00 0.00 34.50 30.36 2c7h s PRO 2 CO 0.00 -1.89 1.07 -0.51 0.04 0.00 0.00 177.00 175.71 2c7h s LEU 3 N 7.13 3.94 0.00 -3.56 1.43 -1.26 -4.76 118.68 121.60 2c7h s LEU 3 Ca 0.84 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2c7h s LEU 3 Cb -0.25 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.43 2c7h s LEU 3 CO 0.34 -1.54 0.00 0.61 0.23 0.00 0.00 176.35 175.99 2c7h n GLY 4 N 5.31 2.58 0.14 -3.19 0.00 -1.26 -4.99 105.19 103.78 2c7h n GLY 4 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2c7h n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2c7h h SER 5 N 0.00 0.00 -2.87 1.61 0.87 -1.90 -3.41 113.55 107.86 2c7h h SER 5 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2c7h h SER 5 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2c7h h SER 5 CO 0.00 0.59 1.19 0.00 -0.53 0.00 0.00 176.83 178.08 2c7h s MET 6 N -3.39 3.37 0.10 2.24 0.23 -1.26 -2.32 119.30 118.26 2c7h s MET 6 Ca 0.00 1.08 0.04 0.00 -1.03 0.00 0.00 55.69 55.78 2c7h s MET 6 Cb 0.11 -4.14 -0.04 0.00 -1.53 0.00 0.00 34.83 29.23 2c7h s MET 6 CO 0.75 -1.82 0.04 -1.12 -2.03 0.00 0.00 175.02 170.83 2c7h s SER 7 N 5.25 5.21 -0.01 -1.18 0.01 0.18 -4.92 113.70 118.24 2c7h s SER 7 Ca 0.69 -0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.81 2c7h s SER 7 Cb -0.17 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.78 2c7h s SER 7 CO 0.31 0.16 0.02 0.00 0.41 0.00 0.00 173.24 174.15 2c7h s VAL 9 N 0.35 4.42 -0.36 0.00 1.01 -0.86 -4.42 120.40 120.55 2c7h s VAL 9 Ca -0.03 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 2c7h s VAL 9 Cb -0.04 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2c7h s VAL 9 CO -0.01 0.45 1.19 -1.00 0.00 0.00 0.00 175.10 175.73 2c7h s HIS 10 N 0.55 2.87 -0.01 5.22 3.76 -1.25 -2.27 115.29 124.15 2c7h s HIS 10 Ca 0.01 0.94 0.02 0.00 -0.15 0.00 0.00 55.06 55.88 2c7h s HIS 10 Cb -0.13 -3.99 -0.00 0.00 1.11 0.00 0.00 32.58 29.57 2c7h s HIS 10 CO 0.02 -1.28 -0.06 1.52 -0.85 0.00 0.00 174.74 174.09 2c7h s TYR 11 N 4.21 0.59 -0.04 1.40 1.13 -0.41 -0.44 117.35 123.78 2c7h s TYR 11 Ca 0.51 -0.12 0.05 0.00 -1.41 0.00 0.00 57.07 56.10 2c7h s TYR 11 Cb -0.12 -0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 40.32 2c7h s TYR 11 CO 0.23 -0.04 -0.19 -1.59 -2.51 0.00 0.00 175.55 171.46 2c7h s LYS 12 N 0.02 1.81 0.65 -3.49 -2.85 -0.76 0.35 119.74 115.47 2c7h s LYS 12 Ca 0.00 -0.67 -0.04 0.00 -1.00 0.00 0.00 55.97 54.27 2c7h s LYS 12 Cb -0.04 -1.61 0.06 0.00 -2.06 0.00 0.00 37.83 34.17 2c7h s LYS 12 CO -0.00 0.31 0.93 0.12 0.10 0.00 0.00 175.35 176.81 2c7h s PHE 13 N -0.12 2.78 -0.24 1.78 2.19 -1.26 -0.45 117.98 122.66 2c7h s PHE 13 Ca -0.01 0.22 0.26 0.00 0.33 0.00 0.00 56.93 57.73 2c7h s PHE 13 Cb -0.11 -3.04 1.19 0.00 -1.31 0.00 0.00 43.02 39.75 2c7h s PHE 13 CO 0.02 -1.26 1.77 0.66 1.83 0.00 0.00 175.22 178.24 2c7h h SER 14 N -0.37 0.00 0.32 6.13 4.64 -1.99 -0.55 113.55 121.73 2c7h h SER 14 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2c7h h SER 14 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2c7h h SER 14 CO 0.56 0.00 -0.86 -1.54 -0.87 0.00 0.00 176.83 174.11 2c7h n SER 15 N -2.40 0.68 -4.71 4.97 3.41 -1.26 -4.91 113.62 109.40 2c7h n SER 15 Ca 0.00 -0.45 -0.35 0.00 -0.26 0.00 0.00 58.87 57.81 2c7h n SER 15 Cb 0.16 0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 64.73 2c7h n SER 15 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2c7h s LYS 16 N -3.08 3.78 0.15 4.33 3.01 -0.21 -4.97 119.74 122.75 2c7h s LYS 16 Ca 0.07 -0.29 0.20 0.00 -1.01 0.00 0.00 55.97 54.94 2c7h s LYS 16 Cb 0.16 -3.19 -0.04 0.00 -1.01 0.00 0.00 37.83 33.74 2c7h s LYS 16 CO 0.79 0.44 0.99 -0.07 0.51 0.00 0.00 175.35 178.00 2c7h h LEU 17 N 6.15 0.00 -9.30 3.17 -0.00 -1.91 -3.41 115.31 110.01 2c7h h LEU 17 Ca -0.43 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 56.95 2c7h h LEU 17 Cb 1.18 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.70 2c7h h LEU 17 CO 0.67 0.28 -0.60 0.54 -0.00 0.00 0.00 178.44 179.33 2c7h s ASN 18 N -5.63 2.57 0.06 -0.43 2.20 -1.26 -5.12 114.94 107.32 2c7h s ASN 18 Ca -0.01 -1.41 -0.28 0.00 -0.94 0.00 0.00 52.86 50.23 2c7h s ASN 18 Cb 0.09 -0.05 -0.05 0.00 -2.00 0.00 0.00 41.25 39.24 2c7h s ASN 18 CO 0.79 -0.63 0.87 -0.31 -2.94 0.00 0.00 177.10 174.88 2c7h s TYR 19 N -3.23 3.74 0.84 1.54 1.51 -1.26 -4.69 117.35 115.80 2c7h s TYR 19 Ca 0.35 1.62 -0.10 0.00 -1.01 0.00 0.00 57.07 57.92 2c7h s TYR 19 Cb 0.08 -2.95 0.15 0.00 -0.11 0.00 0.00 41.96 39.13 2c7h s TYR 19 CO 0.15 0.19 1.17 -0.51 -1.11 0.00 0.00 175.55 175.45 2c7h s ASP 20 N 0.19 3.84 -0.12 2.29 1.01 0.15 -4.80 116.67 119.22 2c7h s ASP 20 Ca 0.44 0.18 -0.04 0.00 0.71 0.00 0.00 52.55 53.84 2c7h s ASP 20 Cb -0.21 -0.45 0.06 0.00 1.01 0.00 0.00 42.92 43.32 2c7h s ASP 20 CO 0.26 -2.25 0.16 0.42 0.21 0.00 0.00 175.17 173.97 2c7h s THR 21 N -3.56 -0.24 -0.20 -1.27 -4.23 -1.26 -1.29 115.64 103.60 2c7h s THR 21 Ca 0.69 0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 61.21 2c7h s THR 21 Cb -0.06 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.32 2c7h s THR 21 CO 0.49 -0.00 0.36 0.54 -0.54 0.00 0.00 174.62 175.47 2c7h s VAL 22 N 2.27 5.23 -0.22 2.29 0.11 -0.96 -4.85 120.40 124.27 2c7h s VAL 22 Ca 0.04 0.63 -0.16 0.00 -2.93 0.00 0.00 61.98 59.55 2c7h s VAL 22 Cb -0.14 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2c7h s VAL 22 CO -0.08 0.28 0.43 0.42 -3.33 0.00 0.00 175.10 172.82 2c7h s THR 23 N 1.17 5.17 0.32 5.04 -4.23 -1.25 -2.02 115.64 119.84 2c7h s THR 23 Ca 0.17 0.75 0.04 0.00 -1.18 0.00 0.00 61.69 61.47 2c7h s THR 23 Cb -0.14 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 2c7h s THR 23 CO 0.07 0.21 0.19 0.72 -0.54 0.00 0.00 174.62 175.27 2c7h s PHE 24 N 1.56 1.65 0.07 3.99 -0.71 0.76 -4.92 117.98 120.39 2c7h s PHE 24 Ca 0.19 -1.44 0.04 0.00 -1.04 0.00 0.00 56.93 54.68 2c7h s PHE 24 Cb -0.15 -0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 40.77 2c7h s PHE 24 CO 0.09 -0.60 -0.02 -0.51 -1.34 0.00 0.00 175.22 172.85 2c7h s ASP 25 N -3.40 4.95 0.00 1.98 1.11 -1.26 0.50 116.67 120.55 2c7h s ASP 25 Ca 0.35 -0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.91 2c7h s ASP 25 Cb 0.04 -1.17 0.00 0.00 1.07 0.00 0.00 42.92 42.85 2c7h s ASP 25 CO 0.20 0.20 0.00 0.61 1.18 0.00 0.00 175.17 177.36 2c7h n GLY 26 N 0.78 0.95 0.26 0.21 0.00 -0.98 -4.61 105.19 101.80 2c7h n GLY 26 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 -4.09 0.99 -0.00 -1.26 -4.82 117.00 107.82 2c7h n LEU 27 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2c7h n LEU 27 Cb 0.00 0.03 -0.11 0.00 -0.00 0.00 0.00 43.42 43.34 2c7h n LEU 27 CO 0.00 -0.07 -0.38 -1.38 -0.00 0.00 0.00 177.39 175.56 2c7h s HIS 28 N -1.13 0.65 -0.06 1.96 -3.43 -1.26 -0.50 115.29 111.52 2c7h s HIS 28 Ca 0.00 -0.76 0.03 0.00 -0.80 0.00 0.00 55.06 53.53 2c7h s HIS 28 Cb 0.00 -0.41 0.01 0.00 -1.43 0.00 0.00 32.58 30.75 2c7h s HIS 28 CO 0.00 -0.18 -0.16 -1.50 -2.00 0.00 0.00 174.74 170.90 2c7h s ILE 29 N -2.65 1.37 0.36 -5.38 2.07 0.09 -4.93 121.20 112.13 2c7h s ILE 29 Ca -0.00 -0.64 -0.28 0.00 -1.41 0.00 0.00 60.65 58.32 2c7h s ILE 29 Cb -0.01 -1.21 -0.10 0.00 0.13 0.00 0.00 42.46 41.26 2c7h s ILE 29 CO -0.04 0.40 1.40 -0.44 -1.91 0.00 0.00 174.94 174.35 2c7h s SER 30 N 0.41 6.50 0.36 4.50 0.01 -1.26 0.23 113.70 124.45 2c7h s SER 30 Ca -0.12 2.87 0.08 0.00 1.31 0.00 0.00 55.95 60.09 2c7h s SER 30 Cb -0.15 -2.66 0.79 0.00 0.21 0.00 0.00 66.02 64.21 2c7h s SER 30 CO 0.04 -0.74 1.91 0.25 0.41 0.00 0.00 173.24 175.11 2c7h h LEU 31 N 3.11 0.65 -0.52 2.44 5.85 0.93 0.28 115.31 128.05 2c7h h LEU 31 Ca -0.50 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.32 2c7h h LEU 31 Cb 1.24 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 2c7h h LEU 31 CO 0.64 0.38 0.15 0.00 -0.34 0.00 0.00 178.44 179.27 2c7h h ASP 33 N 0.30 0.74 -0.36 0.00 3.58 -1.30 -2.27 116.42 117.11 2c7h h ASP 33 Ca 0.26 -0.52 0.02 0.00 0.42 0.00 0.00 57.03 57.21 2c7h h ASP 33 Cb 0.32 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 2c7h h ASP 33 CO -0.30 1.31 0.19 0.25 -2.88 0.00 0.00 179.24 177.81 2c7h h LEU 34 N 0.39 0.28 -0.38 2.28 7.12 -0.64 -0.98 115.31 123.38 2c7h h LEU 34 Ca -0.07 0.01 -0.17 0.00 0.13 0.00 0.00 57.88 57.79 2c7h h LEU 34 Cb 1.47 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.55 2c7h h LEU 34 CO 0.16 0.20 -0.42 0.11 -0.13 0.00 0.00 178.44 178.37 2c7h h LYS 35 N 0.38 0.93 -0.49 1.25 1.57 -0.54 -1.98 116.57 117.69 2c7h h LYS 35 Ca 0.15 -0.51 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 2c7h h LYS 35 Cb 0.05 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2c7h h LYS 35 CO -0.10 1.16 0.01 0.87 -0.57 0.00 0.00 179.45 180.82 2c7h h LYS 36 N 0.75 0.80 -0.28 3.15 6.56 -1.02 0.25 116.57 126.78 2c7h h LYS 36 Ca 0.05 -0.21 -0.05 0.00 -1.06 0.00 0.00 60.65 59.38 2c7h h LYS 36 Cb 1.02 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.57 2c7h h LYS 36 CO 0.10 0.80 -0.01 1.96 -2.06 0.00 0.00 179.45 180.24 2c7h h GLN 37 N 0.75 0.50 -0.39 3.15 4.20 -1.03 -2.16 115.11 120.13 2c7h h GLN 37 Ca 0.15 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 2c7h h GLN 37 Cb 0.44 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2c7h h GLN 37 CO 0.02 0.66 -0.28 0.82 -0.67 0.00 0.00 178.83 179.38 2c7h h ILE 38 N 0.28 1.28 -0.55 2.54 2.04 -1.07 -0.21 117.51 121.82 2c7h h ILE 38 Ca 0.08 -1.44 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 2c7h h ILE 38 Cb 0.44 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2c7h h ILE 38 CO 0.02 0.48 0.12 0.24 0.00 0.00 0.00 178.15 179.01 2c7h h MET 39 N 0.68 0.85 -0.13 2.37 2.86 -0.48 0.23 114.93 121.31 2c7h h MET 39 Ca 0.07 -0.18 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 2c7h h MET 39 Cb 0.86 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2c7h h MET 39 CO 0.07 0.78 -0.40 0.78 1.06 0.00 0.00 176.91 179.20 2c7h h GLY 40 N 0.98 0.54 0.78 8.32 0.00 -1.28 0.27 103.07 112.68 2c7h h GLY 40 Ca 0.18 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 2c7h h GLY 40 CO 0.00 0.63 0.01 -0.09 0.00 0.00 0.00 176.54 177.09 2c7h h ARG 41 N 0.09 0.07 -0.55 4.80 2.43 -0.71 -3.10 114.38 117.41 2c7h h ARG 41 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2c7h h ARG 41 Cb 1.02 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2c7h h ARG 41 CO 0.08 0.29 0.00 0.39 -1.51 0.00 0.00 179.97 179.22 2c7h n GLU 42 N -4.93 2.51 -3.59 0.20 -0.58 0.76 -4.91 120.64 110.10 2c7h n GLU 42 Ca -0.07 -1.79 -0.21 0.00 -0.42 0.00 0.00 57.16 54.67 2c7h n GLU 42 Cb 0.15 -1.55 0.06 0.00 -0.57 0.00 0.00 31.44 29.53 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 0.74 -6.17 -2.06 3.49 4.01 -1.02 -4.98 118.16 112.17 2c7h n LYS 43 Ca 0.16 0.75 -0.30 0.00 -0.51 0.00 0.00 58.31 58.41 2c7h n LYS 43 Cb 0.54 -5.61 0.01 0.00 -0.51 0.00 0.00 35.03 29.46 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 -6.71 3.26 -0.38 -0.35 1.02 0.93 -5.02 118.68 111.44 2c7h s LEU 44 Ca 0.16 1.24 -0.16 0.00 0.02 0.00 0.00 54.13 55.39 2c7h s LEU 44 Cb -0.07 -4.23 0.01 0.00 0.02 0.00 0.00 46.19 41.92 2c7h s LEU 44 CO 0.77 -0.89 0.40 -0.54 0.02 0.00 0.00 176.35 176.11 2c7h s LYS 45 N -5.11 3.31 0.14 1.70 3.01 -1.26 -4.83 119.74 116.70 2c7h s LYS 45 Ca 0.54 -0.61 0.27 0.00 -1.01 0.00 0.00 55.97 55.16 2c7h s LYS 45 Cb -0.11 -3.89 0.84 0.00 -1.01 0.00 0.00 37.83 33.66 2c7h s LYS 45 CO 0.51 -0.70 1.74 0.00 0.51 0.00 0.00 175.35 177.41 2c7h n ALA 46 N 5.49 2.44 0.64 5.17 0.00 -1.26 -0.78 120.51 132.22 2c7h n ALA 46 Ca -0.08 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.38 2c7h n ALA 46 Cb 0.48 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.71 3.79 -0.04 0.00 0.00 -1.26 -4.51 120.51 116.77 2c7h n ALA 47 Ca 0.06 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 2c7h n ALA 47 Cb 0.40 -0.87 -0.04 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 -1.83 3.39 -4.51 0.00 -0.08 -1.19 -4.27 116.55 108.05 2c7h n ASP 48 Ca 0.02 -0.04 -0.28 0.00 -1.51 0.00 0.00 54.79 52.98 2c7h n ASP 48 Cb 0.42 -0.01 -0.09 0.00 2.34 0.00 0.00 41.12 43.78 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 -3.70 2.65 -0.22 0.00 2.15 0.23 -4.22 116.67 113.56 2c7h s ASP 50 Ca 0.23 -1.25 0.02 0.00 0.43 0.00 0.00 52.55 51.98 2c7h s ASP 50 Cb 0.05 -0.15 0.05 0.00 -0.30 0.00 0.00 42.92 42.57 2c7h s ASP 50 CO 0.12 -0.43 -0.12 -0.22 -0.17 0.00 0.00 175.17 174.35 2c7h s LEU 51 N -3.46 2.71 -0.19 -1.34 2.96 -1.26 -1.69 118.68 116.41 2c7h s LEU 51 Ca 0.31 -1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.14 2c7h s LEU 51 Cb 0.06 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 2c7h s LEU 51 CO 0.13 -0.14 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.39 2c7h s GLN 52 N 1.26 3.44 -0.15 1.98 2.00 0.79 -4.96 119.66 124.01 2c7h s GLN 52 Ca -0.03 -0.61 -0.01 0.00 -2.00 0.00 0.00 55.36 52.71 2c7h s GLN 52 Cb -0.17 -2.94 -0.01 0.00 0.80 0.00 0.00 33.01 30.69 2c7h s GLN 52 CO -0.08 -0.04 -0.11 0.42 -0.50 0.00 0.00 175.29 174.98 2c7h s ILE 53 N 1.08 3.16 -0.06 -2.34 1.09 -1.26 0.04 121.20 122.91 2c7h s ILE 53 Ca 0.01 -0.61 0.05 0.00 -1.10 0.00 0.00 60.65 59.00 2c7h s ILE 53 Cb -0.15 -2.36 -0.01 0.00 -1.06 0.00 0.00 42.46 38.89 2c7h s ILE 53 CO -0.00 0.50 -0.22 -0.89 -0.10 0.00 0.00 174.94 174.23 2c7h s THR 54 N 0.64 1.82 0.37 2.92 2.01 0.56 -0.28 115.64 123.68 2c7h s THR 54 Ca -0.06 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 2c7h s THR 54 Cb -0.15 -1.56 -0.11 0.00 0.01 0.00 0.00 72.50 70.70 2c7h s THR 54 CO 0.03 0.51 1.42 0.21 -0.69 0.00 0.00 174.62 176.10 2c7h s ASN 55 N -0.02 6.47 0.38 3.53 3.84 0.69 0.11 114.94 129.93 2c7h s ASN 55 Ca -0.06 2.92 0.21 0.00 0.21 0.00 0.00 52.86 56.14 2c7h s ASN 55 Cb -0.14 -2.66 0.24 0.00 -0.55 0.00 0.00 41.25 38.15 2c7h s ASN 55 CO 0.04 -0.77 1.53 0.00 -2.79 0.00 0.00 177.10 175.10 2c7h h ALA 56 N 3.09 0.89 0.00 1.71 0.00 -1.51 -1.98 119.26 121.46 2c7h h ALA 56 Ca -0.50 -0.13 -0.43 0.00 0.00 0.00 0.00 54.91 53.85 2c7h h ALA 56 Cb 1.24 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2c7h h ALA 56 CO 0.64 0.17 -2.46 1.04 0.00 0.00 0.00 179.25 178.65 2c7h n GLN 57 N -3.11 0.57 0.10 0.00 1.13 -1.26 -4.56 117.38 110.24 2c7h n GLN 57 Ca 0.03 0.23 0.11 0.00 -1.94 0.00 0.00 57.00 55.43 2c7h n GLN 57 Cb 0.59 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 29.48 2c7h n GLN 57 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2c7h n THR 58 N -4.01 0.58 -1.83 5.09 -2.24 -1.26 -4.94 114.28 105.68 2c7h n THR 58 Ca -0.50 -0.55 -0.17 0.00 -2.27 0.00 0.00 64.05 60.56 2c7h n THR 58 Cb 0.88 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.65 -1.23 -2.71 -0.78 4.76 -0.74 -4.96 118.16 109.85 2c7h n LYS 59 Ca -0.00 0.97 -0.42 0.00 -2.87 0.00 0.00 58.31 55.99 2c7h n LYS 59 Cb 0.55 -5.27 -0.03 0.00 -1.84 0.00 0.00 35.03 28.45 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 -3.99 4.40 -0.14 1.97 2.12 -1.26 -4.64 118.70 117.16 2c7h s GLU 60 Ca 0.00 1.35 -0.24 0.00 0.36 0.00 0.00 54.97 56.44 2c7h s GLU 60 Cb 0.00 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 2c7h s GLU 60 CO 0.00 -0.33 0.75 -1.21 -0.54 0.00 0.00 175.26 173.93 2c7h s GLU 61 N 2.08 4.33 -0.79 4.30 2.02 -1.26 -0.22 118.70 129.14 2c7h s GLU 61 Ca 0.47 0.89 -0.20 0.00 0.02 0.00 0.00 54.97 56.15 2c7h s GLU 61 Cb -0.18 -3.53 0.11 0.00 0.10 0.00 0.00 34.13 30.62 2c7h s GLU 61 CO 0.17 -0.18 1.02 0.71 0.02 0.00 0.00 175.26 177.00 2c7h s TYR 62 N 1.65 2.94 -0.08 1.61 2.02 0.62 -4.83 117.35 121.27 2c7h s TYR 62 Ca 0.36 -1.03 0.15 0.00 -0.37 0.00 0.00 57.07 56.17 2c7h s TYR 62 Cb -0.17 -4.26 -0.16 0.00 -0.40 0.00 0.00 41.96 36.98 2c7h s TYR 62 CO 0.14 -1.53 0.85 1.79 -1.57 0.00 0.00 175.55 175.23 2c7h h THR 63 N 5.90 0.71 -3.02 -0.71 1.35 -1.94 -3.37 112.91 111.83 2c7h h THR 63 Ca -0.05 -2.33 -0.64 0.00 -0.55 0.00 0.00 66.41 62.83 2c7h h THR 63 Cb 1.05 2.24 -0.08 0.00 -1.73 0.00 0.00 68.15 69.63 2c7h h THR 63 CO 1.14 0.41 -0.55 -0.62 -0.25 0.00 0.00 175.52 175.64 2c7h s ASP 64 N -5.99 5.90 0.24 5.36 -1.08 -1.26 -4.98 116.67 114.86 2c7h s ASP 64 Ca -0.03 0.18 0.23 0.00 -0.52 0.00 0.00 52.55 52.41 2c7h s ASP 64 Cb 0.08 -1.73 0.96 0.00 -1.46 0.00 0.00 42.92 40.77 2c7h s ASP 64 CO 0.81 0.24 1.69 0.47 0.52 0.00 0.00 175.17 178.90 2c7h n ASP 65 N 0.90 0.61 0.02 -0.34 9.92 -1.26 -1.62 116.55 124.78 2c7h n ASP 65 Ca -0.11 0.66 0.14 0.00 -0.53 0.00 0.00 54.79 54.95 2c7h n ASP 65 Cb 0.52 -0.79 0.52 0.00 -0.64 0.00 0.00 41.12 40.74 2c7h n ASP 65 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2c7h n ASN 66 N -2.19 0.21 -4.77 -2.24 0.23 -1.26 -0.91 115.26 104.33 2c7h n ASN 66 Ca 0.02 0.40 -0.39 0.00 -0.53 0.00 0.00 54.58 54.08 2c7h n ASN 66 Cb 0.21 -0.42 0.01 0.00 -2.08 0.00 0.00 39.78 37.49 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 -3.02 3.19 -0.05 -2.53 0.00 -0.64 -4.69 121.76 114.02 2c7h s ALA 67 Ca 0.13 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.44 2c7h s ALA 67 Cb 0.18 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2c7h s ALA 67 CO 0.57 -0.99 -0.21 -0.48 0.00 0.00 0.00 175.76 174.65 2c7h s LEU 68 N -2.67 2.33 -0.20 0.00 0.05 -1.26 0.11 118.68 117.03 2c7h s LEU 68 Ca 0.60 -0.39 -0.00 0.00 0.05 0.00 0.00 54.13 54.39 2c7h s LEU 68 Cb -0.40 -1.44 0.02 0.00 -2.05 0.00 0.00 46.19 42.32 2c7h s LEU 68 CO 0.50 0.29 -0.14 -0.63 -0.55 0.00 0.00 176.35 175.83 2c7h s ILE 69 N -0.41 2.51 0.59 1.48 1.09 0.13 -4.91 121.20 121.68 2c7h s ILE 69 Ca 0.04 -0.88 -0.09 0.00 -1.10 0.00 0.00 60.65 58.62 2c7h s ILE 69 Cb -0.12 -2.14 -0.03 0.00 -1.06 0.00 0.00 42.46 39.11 2c7h s ILE 69 CO 0.02 0.43 0.96 -2.16 -0.10 0.00 0.00 174.94 174.08 2c7h s PRO 70 N 1.33 3.42 0.00 2.79 0.04 -1.26 -0.73 135.00 140.59 2c7h s PRO 70 Ca 0.04 0.49 0.15 0.00 0.04 0.00 0.00 61.00 61.72 2c7h s PRO 70 Cb -0.14 -2.17 0.76 0.00 0.04 0.00 0.00 34.50 32.99 2c7h s PRO 70 CO -0.09 -0.54 1.43 0.36 0.04 0.00 0.00 177.00 178.20 2c7h n LYS 71 N -2.63 0.21 0.00 4.56 2.85 0.35 -1.59 118.16 121.91 2c7h n LYS 71 Ca 0.04 0.15 0.14 0.00 -1.05 0.00 0.00 58.31 57.59 2c7h n LYS 71 Cb 0.55 -1.50 0.58 0.00 -0.65 0.00 0.00 35.03 34.01 2c7h n LYS 71 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2c7h n ASN 72 N -1.29 1.03 -4.32 -5.58 3.02 -1.26 -4.78 115.26 102.07 2c7h n ASN 72 Ca 0.07 -1.19 -0.23 0.00 -0.03 0.00 0.00 54.58 53.20 2c7h n ASN 72 Cb 0.12 0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.19 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 -2.15 2.72 -0.09 6.41 0.01 -0.62 -5.13 113.70 114.85 2c7h s SER 73 Ca 0.36 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 56.86 2c7h s SER 73 Cb 0.21 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 2c7h s SER 73 CO 0.39 0.02 -0.18 -0.44 0.41 0.00 0.00 173.24 173.45 2c7h s SER 74 N -2.35 3.68 0.15 2.44 0.01 -1.26 -3.83 113.70 112.53 2c7h s SER 74 Ca 0.12 -0.37 0.07 0.00 1.31 0.00 0.00 55.95 57.08 2c7h s SER 74 Cb -0.08 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.89 2c7h s SER 74 CO 0.06 0.23 -0.15 0.68 0.41 0.00 0.00 173.24 174.47 2c7h s VAL 75 N -0.03 1.53 -0.20 3.43 -7.23 0.41 -1.35 120.40 116.96 2c7h s VAL 75 Ca -0.05 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.14 2c7h s VAL 75 Cb -0.14 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 2c7h s VAL 75 CO 0.04 -0.44 0.12 -0.63 -0.31 0.00 0.00 175.10 173.88 2c7h s ILE 76 N -2.35 5.20 -0.29 -0.62 -1.09 0.29 -1.84 121.20 120.52 2c7h s ILE 76 Ca 0.14 0.12 -0.06 0.00 -2.23 0.00 0.00 60.65 58.61 2c7h s ILE 76 Cb -0.04 -3.38 0.01 0.00 -1.58 0.00 0.00 42.46 37.47 2c7h s ILE 76 CO 0.05 0.42 0.07 -0.69 -1.23 0.00 0.00 174.94 173.55 2c7h s VAL 77 N 0.54 3.89 -0.14 2.92 1.01 0.41 -0.32 120.40 128.71 2c7h s VAL 77 Ca 0.07 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2c7h s VAL 77 Cb -0.12 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 2c7h s VAL 77 CO 0.00 0.11 -0.16 -0.60 0.00 0.00 0.00 175.10 174.45 2c7h s ARG 78 N 1.49 3.22 -0.42 2.72 3.52 0.11 -3.40 118.95 126.19 2c7h s ARG 78 Ca 0.03 -0.76 -0.22 0.00 -0.13 0.00 0.00 55.73 54.65 2c7h s ARG 78 Cb -0.17 -2.58 0.02 0.00 -1.56 0.00 0.00 34.95 30.66 2c7h s ARG 78 CO 0.02 0.07 0.71 0.50 -0.81 0.00 0.00 175.30 175.79 2c7h s ARG 79 N 0.68 3.47 0.10 5.12 3.52 -1.26 -0.15 118.95 130.43 2c7h s ARG 79 Ca -0.08 -0.10 0.06 0.00 -0.13 0.00 0.00 55.73 55.48 2c7h s ARG 79 Cb -0.16 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.29 2c7h s ARG 79 CO 0.02 -0.97 -0.05 0.96 -0.81 0.00 0.00 175.30 174.44 2c7h s ILE 80 N 3.01 3.67 0.21 4.11 -5.25 -0.68 -4.95 121.20 121.31 2c7h s ILE 80 Ca 0.27 -1.14 -0.30 0.00 -0.99 0.00 0.00 60.65 58.48 2c7h s ILE 80 Cb -0.13 -2.73 -0.08 0.00 2.95 0.00 0.00 42.46 42.46 2c7h s ILE 80 CO 0.19 0.11 0.95 -2.16 -1.79 0.00 0.00 174.94 172.25 2c7h s PRO 81 N -2.26 4.81 0.23 0.37 0.04 -1.26 0.74 135.00 137.67 2c7h s PRO 81 Ca 0.23 1.49 0.15 0.00 0.04 0.00 0.00 61.00 62.91 2c7h s PRO 81 Cb -0.11 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.13 2c7h s PRO 81 CO 0.16 0.43 1.32 -0.84 0.04 0.00 0.00 177.00 178.11 2c7h h ILE 82 N 3.38 0.85 0.00 0.56 3.07 -1.66 -3.43 117.51 120.28 2c7h h ILE 82 Ca -0.44 -2.25 0.00 0.00 1.55 0.00 0.00 64.86 63.71 2c7h h ILE 82 Cb 1.20 2.38 0.00 0.00 -0.27 0.00 0.00 36.82 40.13 2c7h h ILE 82 CO 0.69 0.49 0.00 0.61 -1.05 0.00 0.00 178.15 178.89 2c7h n GLY 83 N 1.26 -1.16 0.00 0.16 0.00 -1.21 -5.06 105.19 99.19 2c7h n GLY 83 Ca -0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2c7h n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7h n GLY 84 N 0.00 0.69 3.70 -0.02 0.00 -1.21 -4.98 105.19 103.37 2c7h n GLY 84 Ca 0.00 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2c7h n GLY 84 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c7h s VAL 85 N -2.00 2.65 0.00 1.61 -7.23 -1.26 -4.67 120.40 109.50 2c7h s VAL 85 Ca 0.00 0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 2c7h s VAL 85 Cb 0.00 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2c7h s VAL 85 CO 0.00 0.01 0.41 0.29 -0.31 0.00 0.00 175.10 175.50