#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d7h s VAL 3 N 0.00 1.95 -0.09 0.52 -7.23 -1.26 -5.12 120.40 109.17 2d7h s VAL 3 Ca 0.00 -1.14 -0.16 0.00 -1.81 0.00 0.00 61.98 58.87 2d7h s VAL 3 Cb 0.00 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 2d7h s VAL 3 CO 0.00 0.46 0.41 0.00 -0.31 0.00 0.00 175.10 175.66 2d7h s ALA 4 N -0.65 3.58 -0.64 1.32 0.00 -1.26 -5.03 121.76 119.08 2d7h s ALA 4 Ca 0.10 -0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 2d7h s ALA 4 Cb -0.09 -2.50 0.16 0.00 0.00 0.00 0.00 23.12 20.69 2d7h s ALA 4 CO 0.00 0.19 0.61 -1.01 0.00 0.00 0.00 175.76 175.55 2d7h s HIS 5 N -0.01 3.40 -0.07 0.00 3.76 -1.26 -5.04 115.29 116.07 2d7h s HIS 5 Ca 0.23 -1.51 -0.13 0.00 -0.15 0.00 0.00 55.06 53.50 2d7h s HIS 5 Cb -0.15 -3.83 -0.05 0.00 1.11 0.00 0.00 32.58 29.66 2d7h s HIS 5 CO 0.10 -1.03 0.33 0.08 -0.85 0.00 0.00 174.74 173.36 2d7h s VAL 6 N 1.20 5.21 -0.22 -0.90 1.01 -1.26 -5.08 120.40 120.36 2d7h s VAL 6 Ca 0.09 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 2d7h s VAL 6 Cb -0.23 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2d7h s VAL 6 CO -0.01 0.52 0.13 0.00 0.00 0.00 0.00 175.10 175.74 2d7h s ALA 7 N -0.54 3.60 0.05 5.51 0.00 -1.26 -5.10 121.76 124.02 2d7h s ALA 7 Ca 0.20 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.44 2d7h s ALA 7 Cb -0.15 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2d7h s ALA 7 CO 0.09 -0.01 -0.17 -0.51 0.00 0.00 0.00 175.76 175.16 2d7h s LEU 8 N 0.70 2.70 -1.11 0.00 1.43 -1.26 -5.04 118.68 116.09 2d7h s LEU 8 Ca 0.07 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.54 2d7h s LEU 8 Cb -0.12 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.58 2d7h s LEU 8 CO 0.01 0.24 1.58 -2.16 0.23 0.00 0.00 176.35 176.25 2d7h s PRO 9 N -1.59 3.64 0.19 1.29 0.04 -1.26 -4.95 135.00 132.36 2d7h s PRO 9 Ca 0.16 -1.36 -0.15 0.00 0.04 0.00 0.00 61.00 59.69 2d7h s PRO 9 Cb -0.11 -5.40 -0.07 0.00 0.04 0.00 0.00 34.50 28.96 2d7h s PRO 9 CO 0.07 -2.33 0.60 0.54 0.04 0.00 0.00 177.00 175.92 2d7h s VAL 10 N 5.14 4.80 0.44 -0.36 0.11 -1.26 -5.02 120.40 124.25 2d7h s VAL 10 Ca 0.50 0.86 -0.21 0.00 -2.93 0.00 0.00 61.98 60.20 2d7h s VAL 10 Cb 0.01 -3.72 -0.13 0.00 -1.53 0.00 0.00 36.38 31.01 2d7h s VAL 10 CO -0.03 0.14 0.43 -2.65 -3.33 0.00 0.00 175.10 169.65 2d7h n PRO 11 N 0.51 0.43 0.00 1.54 -0.02 -1.26 -4.84 135.00 131.36 2d7h n PRO 11 Ca -0.03 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2d7h n PRO 11 Cb 0.52 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 2d7h n PRO 11 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2d7h n LEU 12 N 1.45 0.00 -4.39 2.45 7.94 -1.26 -3.45 117.00 119.74 2d7h n LEU 12 Ca 0.11 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.57 2d7h n LEU 12 Cb 0.41 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.28 2d7h n LEU 12 CO 0.54 0.00 0.08 -2.16 -1.11 0.00 0.00 177.39 174.74 2d7h s PRO 13 N -0.11 3.00 -0.50 1.96 0.04 -1.26 -4.89 135.00 133.25 2d7h s PRO 13 Ca 0.00 -1.30 -0.27 0.00 0.04 0.00 0.00 61.00 59.47 2d7h s PRO 13 Cb 0.00 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.39 2d7h s PRO 13 CO 0.00 -1.07 1.82 0.50 0.04 0.00 0.00 177.00 178.28 2d7h s ARG 14 N 1.79 2.93 0.34 4.56 3.00 -1.22 -4.94 118.95 125.40 2d7h s ARG 14 Ca 0.06 0.93 0.09 0.00 -1.00 0.00 0.00 55.73 55.81 2d7h s ARG 14 Cb -0.24 -4.30 -0.06 0.00 0.00 0.00 0.00 34.95 30.35 2d7h s ARG 14 CO 0.07 -2.36 -0.06 -0.08 0.00 0.00 0.00 175.30 172.88 2d7h s THR 15 N 8.12 2.42 -0.14 4.11 -1.32 -1.26 -4.80 115.64 122.76 2d7h s THR 15 Ca 0.72 -2.12 -0.03 0.00 -1.21 0.00 0.00 61.69 59.04 2d7h s THR 15 Cb -0.16 -2.69 -0.03 0.00 -1.51 0.00 0.00 72.50 68.11 2d7h s THR 15 CO 0.26 -0.21 -0.04 -0.36 -2.21 0.00 0.00 174.62 172.05 2d7h s PHE 16 N -2.57 3.01 -0.17 9.09 0.40 -1.26 -5.11 117.98 121.38 2d7h s PHE 16 Ca 0.33 -0.27 -0.16 0.00 -0.60 0.00 0.00 56.93 56.23 2d7h s PHE 16 Cb 0.01 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 2d7h s PHE 16 CO 0.18 0.00 0.37 -0.51 0.70 0.00 0.00 175.22 175.96 2d7h s ASP 17 N 0.21 6.49 0.05 1.36 -0.00 -1.26 -5.08 116.67 118.45 2d7h s ASP 17 Ca -0.03 0.58 0.06 0.00 -0.00 0.00 0.00 52.55 53.16 2d7h s ASP 17 Cb -0.14 -2.22 -0.03 0.00 -0.00 0.00 0.00 42.92 40.53 2d7h s ASP 17 CO 0.03 0.01 -0.16 -0.31 -0.00 0.00 0.00 175.17 174.74 2d7h s TYR 18 N 0.82 1.40 0.20 4.23 1.51 -1.26 -4.73 117.35 119.52 2d7h s TYR 18 Ca 0.19 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 55.61 2d7h s TYR 18 Cb -0.14 -0.81 -0.08 0.00 -0.11 0.00 0.00 41.96 40.81 2d7h s TYR 18 CO 0.07 0.07 0.82 -1.17 -1.11 0.00 0.00 175.55 174.23 2d7h s LEU 19 N -1.36 4.56 -0.53 -1.29 0.20 -0.19 -4.85 118.68 115.24 2d7h s LEU 19 Ca 0.03 1.70 -0.17 0.00 0.69 0.00 0.00 54.13 56.38 2d7h s LEU 19 Cb -0.09 -3.44 0.10 0.00 -0.43 0.00 0.00 46.19 42.33 2d7h s LEU 19 CO 0.02 0.16 0.52 -0.22 -0.29 0.00 0.00 176.35 176.54 2d7h s LEU 20 N -1.30 5.73 0.27 -0.68 2.96 -1.26 -0.94 118.68 123.46 2d7h s LEU 20 Ca 0.39 -1.48 -0.26 0.00 -0.22 0.00 0.00 54.13 52.55 2d7h s LEU 20 Cb -0.23 -2.25 -0.16 0.00 0.50 0.00 0.00 46.19 44.05 2d7h s LEU 20 CO 0.27 -0.85 0.41 -2.65 -1.32 0.00 0.00 176.35 172.21 2d7h n PRO 21 N 5.54 0.05 -1.69 0.98 -0.02 -1.26 -4.65 135.00 133.95 2d7h n PRO 21 Ca -0.12 0.02 -0.52 0.00 -2.02 0.00 0.00 63.50 60.86 2d7h n PRO 21 Cb 0.42 -1.03 -0.06 0.00 -0.02 0.00 0.00 33.50 32.81 2d7h n PRO 21 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2d7h n GLU 22 N 1.08 1.78 -0.44 -0.52 2.13 -1.26 -0.02 120.64 123.40 2d7h n GLU 22 Ca 0.16 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2d7h n GLU 22 Cb 0.30 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.58 2d7h n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d7h n GLY 23 N 4.29 0.76 3.75 8.31 0.00 -1.26 -5.07 105.19 115.96 2d7h n GLY 23 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 2d7h n GLY 23 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d7h s MET 24 N -0.56 3.40 -0.01 1.61 0.00 0.97 -5.11 119.30 119.60 2d7h s MET 24 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 55.69 55.41 2d7h s MET 24 Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 34.83 31.79 2d7h s MET 24 CO 0.00 0.63 -0.00 -0.08 0.00 0.00 0.00 175.02 175.57 2d7h s THR 25 N -0.65 0.09 0.09 10.11 -1.32 -1.26 -4.76 115.64 117.94 2d7h s THR 25 Ca 0.12 0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.63 2d7h s THR 25 Cb -0.12 -0.13 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 2d7h s THR 25 CO 0.02 0.07 -0.04 0.68 -2.21 0.00 0.00 174.62 173.14 2d7h s VAL 26 N 0.42 0.51 0.17 5.08 -7.23 -1.26 -5.02 120.40 113.07 2d7h s VAL 26 Ca -0.04 -1.90 0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2d7h s VAL 26 Cb -0.06 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 2d7h s VAL 26 CO -0.01 -0.86 -0.19 -0.75 -0.31 0.00 0.00 175.10 172.98 2d7h s LYS 27 N -3.88 1.32 0.48 4.82 2.20 -1.26 -4.95 119.74 118.47 2d7h s LYS 27 Ca 0.12 -1.43 -0.23 0.00 -0.36 0.00 0.00 55.97 54.08 2d7h s LYS 27 Cb 0.06 -1.42 -0.08 0.00 -1.51 0.00 0.00 37.83 34.87 2d7h s LYS 27 CO -0.05 0.29 1.06 0.00 -0.36 0.00 0.00 175.35 176.29 2d7h n ALA 28 N 0.29 0.46 -0.69 3.13 0.00 -1.26 -2.24 120.51 120.20 2d7h n ALA 28 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2d7h n ALA 28 Cb 0.57 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2d7h n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d7h n GLY 29 N 1.13 0.75 3.59 0.00 0.00 0.11 -4.63 105.19 106.14 2d7h n GLY 29 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2d7h n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d7h s ARG 31 N -1.16 4.00 0.01 0.00 0.52 -1.26 0.43 118.95 121.50 2d7h s ARG 31 Ca 0.15 0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 56.17 2d7h s ARG 31 Cb -0.11 -2.16 0.02 0.00 0.52 0.00 0.00 34.95 33.22 2d7h s ARG 31 CO 0.05 -0.20 0.33 0.14 0.02 0.00 0.00 175.30 175.64 2d7h s VAL 32 N -2.50 0.06 -0.15 3.52 -7.23 0.87 -1.66 120.40 113.30 2d7h s VAL 32 Ca 0.59 -0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 2d7h s VAL 32 Cb -0.10 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.02 2d7h s VAL 32 CO 0.27 -0.29 0.24 -0.13 -0.31 0.00 0.00 175.10 174.88 2d7h s ARG 33 N -1.87 4.08 0.18 4.82 0.52 0.20 -1.41 118.95 125.46 2d7h s ARG 33 Ca -0.10 0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 2d7h s ARG 33 Cb -0.03 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 32.03 2d7h s ARG 33 CO 0.01 0.38 0.01 0.14 0.02 0.00 0.00 175.30 175.87 2d7h s VAL 34 N 0.05 0.67 0.57 3.52 -7.23 -0.85 0.63 120.40 117.76 2d7h s VAL 34 Ca 0.15 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.19 2d7h s VAL 34 Cb -0.13 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 2d7h s VAL 34 CO 0.03 -0.43 1.02 -2.84 -0.31 0.00 0.00 175.10 172.57 2d7h s PRO 35 N -3.93 3.65 -0.23 4.82 0.02 -1.26 -2.28 135.00 135.79 2d7h s PRO 35 Ca 0.25 0.94 -0.05 0.00 0.02 0.00 0.00 61.00 62.16 2d7h s PRO 35 Cb 0.06 -2.09 0.12 0.00 0.02 0.00 0.00 34.50 32.61 2d7h s PRO 35 CO 0.05 -0.52 0.44 0.12 -0.33 0.00 0.00 177.00 176.76 2d7h s PHE 36 N -2.80 -0.94 0.00 6.54 5.36 -0.15 -4.83 117.98 121.16 2d7h s PHE 36 Ca 0.58 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.90 2d7h s PHE 36 Cb -0.12 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 2d7h s PHE 36 CO 0.41 -0.63 0.00 0.41 -1.46 0.00 0.00 175.22 173.95 2d7h n GLY 37 N 5.39 0.61 1.98 13.12 0.00 -1.26 -3.48 105.19 121.56 2d7h n GLY 37 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2d7h n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2d7h n GLN 39 N 0.00 0.00 -2.20 1.61 -0.06 -1.26 -5.00 117.38 110.48 2d7h n GLN 39 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.73 2d7h n GLN 39 Cb 0.00 0.00 0.06 0.00 -4.06 0.00 0.00 30.24 26.24 2d7h n GLN 39 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2d7h s GLN 40 N 0.00 2.44 0.42 3.69 -1.52 -1.23 -5.12 119.66 118.34 2d7h s GLN 40 Ca 0.00 -0.09 0.07 0.00 -1.95 0.00 0.00 55.36 53.39 2d7h s GLN 40 Cb 0.00 -2.16 -0.05 0.00 -0.22 0.00 0.00 33.01 30.57 2d7h s GLN 40 CO 0.00 -1.10 0.17 -1.21 -0.25 0.00 0.00 175.29 172.90 2d7h s GLU 41 N -5.22 2.21 0.12 2.91 2.02 -1.26 -0.98 118.70 118.51 2d7h s GLU 41 Ca 0.58 -1.88 -0.24 0.00 0.02 0.00 0.00 54.97 53.45 2d7h s GLU 41 Cb -0.11 -1.95 0.08 0.00 0.10 0.00 0.00 34.13 32.25 2d7h s GLU 41 CO 0.46 -0.13 0.66 0.50 0.02 0.00 0.00 175.26 176.77 2d7h s ARG 42 N -3.90 1.19 -0.19 1.61 3.52 -0.97 -4.86 118.95 115.35 2d7h s ARG 42 Ca 0.40 -0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 55.47 2d7h s ARG 42 Cb 0.04 0.55 -0.05 0.00 -1.56 0.00 0.00 34.95 33.93 2d7h s ARG 42 CO 0.22 -0.52 0.17 0.42 -0.81 0.00 0.00 175.30 174.78 2d7h s ILE 43 N -3.58 5.39 0.22 4.11 1.01 -1.26 -2.02 121.20 125.07 2d7h s ILE 43 Ca 0.02 0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.96 2d7h s ILE 43 Cb -0.01 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 2d7h s ILE 43 CO -0.12 0.44 0.04 -0.83 0.00 0.00 0.00 174.94 174.46 2d7h s GLY 44 N 0.33 1.51 -0.16 6.18 0.00 -0.50 -4.95 107.32 109.72 2d7h s GLY 44 Ca 0.10 -1.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.05 2d7h s GLY 44 CO -0.00 -1.59 -0.07 -0.42 0.00 0.00 0.00 173.10 171.01 2d7h s ILE 45 N -3.62 3.45 -0.03 0.90 1.01 -1.26 -0.09 121.20 121.55 2d7h s ILE 45 Ca 0.30 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 2d7h s ILE 45 Cb 0.07 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.97 2d7h s ILE 45 CO 0.09 0.48 1.64 -0.69 0.00 0.00 0.00 174.94 176.46 2d7h s VAL 46 N 0.67 3.51 -0.05 2.92 1.01 0.17 -4.87 120.40 123.76 2d7h s VAL 46 Ca -0.04 0.70 0.10 0.00 0.00 0.00 0.00 61.98 62.73 2d7h s VAL 46 Cb -0.15 -3.45 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 2d7h s VAL 46 CO 0.02 -0.05 0.62 0.52 0.00 0.00 0.00 175.10 176.22 2d7h n VAL 47 N 5.32 1.64 -3.59 2.92 0.31 -1.26 0.09 118.33 123.75 2d7h n VAL 47 Ca 0.17 -0.77 0.02 0.00 -0.01 0.00 0.00 64.34 63.74 2d7h n VAL 47 Cb 0.42 -1.15 -0.01 0.00 -0.91 0.00 0.00 33.84 32.20 2d7h n VAL 47 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2d7h s SER 48 N -6.24 -0.03 -0.18 4.52 1.04 -1.26 -4.74 113.70 106.80 2d7h s SER 48 Ca -0.07 -0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 2d7h s SER 48 Cb 0.08 0.07 0.05 0.00 0.10 0.00 0.00 66.02 66.32 2d7h s SER 48 CO 0.82 -0.13 -0.05 -0.69 0.98 0.00 0.00 173.24 174.16 2d7h s VAL 49 N -2.20 1.19 0.00 5.02 1.01 -1.26 -4.97 120.40 119.20 2d7h s VAL 49 Ca 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2d7h s VAL 49 Cb 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2d7h s VAL 49 CO -0.05 0.08 0.00 -1.54 0.00 0.00 0.00 175.10 173.59 2d7h n SER 50 N 4.83 0.00 0.00 3.32 3.41 -1.26 -5.07 113.62 118.86 2d7h n SER 50 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2d7h n SER 50 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2d7h n SER 50 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2d7h n ASP 51 N 0.00 0.40 -3.54 4.04 -0.08 -1.26 -5.08 116.55 111.02 2d7h n ASP 51 Ca 0.00 -1.14 -0.11 0.00 -1.51 0.00 0.00 54.79 52.03 2d7h n ASP 51 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 2d7h n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d7h s ALA 52 N -0.14 -1.87 0.40 -1.67 0.00 -1.26 -5.13 121.76 112.09 2d7h s ALA 52 Ca 0.00 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.34 2d7h s ALA 52 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2d7h s ALA 52 CO 0.00 -0.45 0.12 -1.54 0.00 0.00 0.00 175.76 173.89 2d7h s SER 53 N -1.60 2.78 0.00 0.00 1.04 -1.26 -5.03 113.70 109.63 2d7h s SER 53 Ca -0.01 -1.65 0.19 0.00 0.48 0.00 0.00 55.95 54.96 2d7h s SER 53 Cb -0.01 0.45 1.12 0.00 0.10 0.00 0.00 66.02 67.69 2d7h s SER 53 CO -0.01 -0.90 1.71 1.21 0.98 0.00 0.00 173.24 176.23 2d7h n GLU 54 N -0.90 0.99 -4.24 4.02 4.07 -1.26 -4.75 120.64 118.57 2d7h n GLU 54 Ca -0.06 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.84 2d7h n GLU 54 Cb 0.65 -1.30 -0.12 0.00 -0.06 0.00 0.00 31.44 30.61 2d7h n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2d7h s LEU 55 N -1.59 2.26 -0.28 4.31 1.43 -1.26 -5.09 118.68 118.45 2d7h s LEU 55 Ca 0.28 -0.59 -0.41 0.00 -1.03 0.00 0.00 54.13 52.38 2d7h s LEU 55 Cb 0.13 -0.61 -0.18 0.00 0.03 0.00 0.00 46.19 45.55 2d7h s LEU 55 CO 0.22 -0.02 1.28 -2.65 0.23 0.00 0.00 176.35 175.40 2d7h n PRO 56 N 1.39 0.00 -0.44 1.29 -0.02 -1.26 -4.77 135.00 131.19 2d7h n PRO 56 Ca -0.20 0.00 0.33 0.00 -2.02 0.00 0.00 63.50 61.61 2d7h n PRO 56 Cb 0.54 -1.38 0.51 0.00 -0.02 0.00 0.00 33.50 33.15 2d7h n PRO 56 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2d7h n LEU 57 N 2.76 0.00 0.00 2.45 -0.00 -1.26 -0.63 117.00 120.32 2d7h n LEU 57 Ca 0.25 0.63 0.00 0.00 -0.00 0.00 0.00 56.01 56.88 2d7h n LEU 57 Cb -0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 2d7h n LEU 57 CO 0.72 -0.63 0.27 -0.46 -0.00 0.00 0.00 177.39 177.29 2d7h n ASN 58 N -3.21 1.03 -0.02 1.45 2.04 -1.26 -4.63 115.26 110.65 2d7h n ASN 58 Ca 0.28 -1.17 0.15 0.00 -0.44 0.00 0.00 54.58 53.40 2d7h n ASN 58 Cb 1.26 0.00 0.84 0.00 -2.53 0.00 0.00 39.78 39.35 2d7h n ASN 58 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2d7h n GLU 59 N -0.09 0.76 -4.68 -3.83 2.13 0.19 -4.84 120.64 110.29 2d7h n GLU 59 Ca 0.00 -0.05 -0.33 0.00 0.66 0.00 0.00 57.16 57.44 2d7h n GLU 59 Cb 0.09 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.16 2d7h n GLU 59 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2d7h s LEU 60 N -2.27 2.82 0.32 4.31 0.05 -1.26 -5.00 118.68 117.66 2d7h s LEU 60 Ca 0.38 -0.29 -0.24 0.00 0.05 0.00 0.00 54.13 54.03 2d7h s LEU 60 Cb 0.21 -1.65 -0.16 0.00 -2.05 0.00 0.00 46.19 42.54 2d7h s LEU 60 CO 0.41 0.16 0.27 0.29 -0.55 0.00 0.00 176.35 176.94 2d7h n LYS 61 N 3.56 0.01 -2.37 1.48 5.02 -1.26 -3.77 118.16 120.83 2d7h n LYS 61 Ca -0.18 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.83 2d7h n LYS 61 Cb 0.53 -1.01 0.01 0.00 -0.02 0.00 0.00 35.03 34.54 2d7h n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2d7h s ALA 62 N -1.39 3.28 0.74 7.82 0.00 -1.26 -1.02 121.76 129.93 2d7h s ALA 62 Ca 0.61 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 2d7h s ALA 62 Cb -0.76 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 19.67 2d7h s ALA 62 CO 0.60 -0.58 1.08 0.08 0.00 0.00 0.00 175.76 176.94 2d7h s VAL 63 N -2.93 3.64 -0.17 0.00 1.01 -0.12 -4.39 120.40 117.45 2d7h s VAL 63 Ca 0.51 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 2d7h s VAL 63 Cb -0.11 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 33.03 2d7h s VAL 63 CO 0.47 -0.70 -0.16 0.52 0.00 0.00 0.00 175.10 175.23 2d7h n VAL 64 N -3.35 0.98 -3.55 2.92 0.31 0.21 -4.78 118.33 111.06 2d7h n VAL 64 Ca 0.08 -0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 63.92 2d7h n VAL 64 Cb 0.53 -1.21 -0.06 0.00 -0.91 0.00 0.00 33.84 32.20 2d7h n VAL 64 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2d7h s GLU 65 N -2.34 0.82 -0.24 5.55 2.12 -1.15 -4.92 118.70 118.54 2d7h s GLU 65 Ca -0.23 0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.23 2d7h s GLU 65 Cb 0.07 0.39 -0.03 0.00 0.26 0.00 0.00 34.13 34.82 2d7h s GLU 65 CO 0.38 -0.26 0.05 0.14 -0.54 0.00 0.00 175.26 175.04 2d7h s VAL 66 N -1.15 4.18 -2.11 3.70 -7.23 -1.26 0.58 120.40 117.11 2d7h s VAL 66 Ca -0.06 -0.22 0.28 0.00 -1.81 0.00 0.00 61.98 60.18 2d7h s VAL 66 Cb -0.00 -2.95 0.52 0.00 0.56 0.00 0.00 36.38 34.50 2d7h s VAL 66 CO 0.06 0.35 1.79 0.18 -0.31 0.00 0.00 175.10 177.17 2d7h n LEU 67 N 4.89 1.01 -3.83 1.32 4.77 -0.67 -4.79 117.00 119.70 2d7h n LEU 67 Ca -0.16 -0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 55.38 2d7h n LEU 67 Cb 0.51 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.39 2d7h n LEU 67 CO 0.31 0.17 -0.37 -1.81 -1.33 0.00 0.00 177.39 174.37 2d7h s ASP 68 N -2.20 0.22 0.01 -1.43 1.01 -1.25 -4.89 116.67 108.14 2d7h s ASP 68 Ca 0.34 -0.01 0.22 0.00 0.71 0.00 0.00 52.55 53.82 2d7h s ASP 68 Cb 0.21 -0.10 -0.22 0.00 1.01 0.00 0.00 42.92 43.82 2d7h s ASP 68 CO 0.41 -0.07 0.71 -1.20 0.21 0.00 0.00 175.17 175.23 2d7h n SER 69 N 3.76 0.39 -4.42 0.27 7.64 -1.26 -4.70 113.62 115.31 2d7h n SER 69 Ca -0.22 -0.21 -0.30 0.00 1.01 0.00 0.00 58.87 59.15 2d7h n SER 69 Cb 0.53 1.44 -0.13 0.00 -1.01 0.00 0.00 64.21 65.04 2d7h n SER 69 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2d7h s GLU 70 N -3.34 1.90 -0.02 1.43 -1.05 -1.26 -4.93 118.70 111.42 2d7h s GLU 70 Ca -0.02 -1.07 -0.30 0.00 -0.15 0.00 0.00 54.97 53.43 2d7h s GLU 70 Cb 0.14 -2.09 -0.06 0.00 -0.44 0.00 0.00 34.13 31.68 2d7h s GLU 70 CO 0.87 0.52 1.57 -1.25 0.95 0.00 0.00 175.26 177.92 2d7h s PRO 71 N -1.48 4.21 0.00 -4.83 0.04 -1.26 -4.74 135.00 126.94 2d7h s PRO 71 Ca 0.14 2.13 0.06 0.00 0.04 0.00 0.00 61.00 63.37 2d7h s PRO 71 Cb -0.10 -3.79 0.34 0.00 0.04 0.00 0.00 34.50 30.99 2d7h s PRO 71 CO 0.05 -0.75 1.02 1.55 0.04 0.00 0.00 177.00 178.91 2d7h n VAL 72 N 5.11 0.73 -4.32 -0.36 3.14 -0.41 -4.63 118.33 117.59 2d7h n VAL 72 Ca 0.16 0.18 -0.24 0.00 -2.96 0.00 0.00 64.34 61.48 2d7h n VAL 72 Cb 0.43 -1.08 -0.12 0.00 -1.06 0.00 0.00 33.84 32.01 2d7h n VAL 72 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2d7h s PHE 73 N -2.47 1.89 0.72 1.45 0.40 -1.26 -5.06 117.98 113.65 2d7h s PHE 73 Ca 0.07 -0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 55.83 2d7h s PHE 73 Cb 0.04 -0.99 0.03 0.00 0.51 0.00 0.00 43.02 42.62 2d7h s PHE 73 CO 0.09 0.29 1.14 0.99 0.70 0.00 0.00 175.22 178.43 2d7h s THR 74 N -1.53 2.86 0.26 0.64 2.01 -1.26 -4.83 115.64 113.79 2d7h s THR 74 Ca 0.12 0.38 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 2d7h s THR 74 Cb -0.08 -2.86 0.27 0.00 0.01 0.00 0.00 72.50 69.84 2d7h s THR 74 CO 0.06 -0.27 1.90 -0.74 -0.69 0.00 0.00 174.62 174.88 2d7h h HIS 75 N -0.42 1.22 0.02 4.92 2.76 -1.99 -0.73 115.15 120.93 2d7h h HIS 75 Ca -0.46 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.74 2d7h h HIS 75 Cb 1.26 -0.41 0.00 0.00 1.55 0.00 0.00 27.41 29.81 2d7h h HIS 75 CO 0.52 0.69 -0.01 0.66 -1.30 0.00 0.00 177.93 178.49 2d7h h SER 76 N 1.25 -0.02 -1.08 3.26 4.64 -2.00 -2.92 113.55 116.68 2d7h h SER 76 Ca 0.41 -0.51 0.29 0.00 -0.47 0.00 0.00 61.79 61.51 2d7h h SER 76 Cb 0.05 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.05 2d7h h SER 76 CO -0.14 0.72 0.70 0.58 -0.87 0.00 0.00 176.83 177.83 2d7h h VAL 77 N -0.99 0.47 -0.01 0.95 2.07 -1.93 0.42 116.25 117.24 2d7h h VAL 77 Ca -0.00 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2d7h h VAL 77 Cb 0.53 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2d7h h VAL 77 CO 0.00 0.06 0.00 -0.25 0.02 0.00 0.00 177.57 177.40 2d7h h TRP 78 N 0.32 0.02 -0.51 1.57 2.91 -1.20 -0.33 115.95 118.73 2d7h h TRP 78 Ca 0.61 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.62 2d7h h TRP 78 Cb 1.69 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 30.31 2d7h h TRP 78 CO -0.00 0.25 0.28 -0.09 -1.03 0.00 0.00 178.44 177.85 2d7h h ARG 79 N -0.22 0.69 0.19 2.65 2.43 -0.09 -2.13 114.38 117.90 2d7h h ARG 79 Ca 0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2d7h h ARG 79 Cb 0.24 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2d7h h ARG 79 CO 0.00 0.51 -0.09 1.25 -1.51 0.00 0.00 179.97 180.13 2d7h h LEU 80 N 0.70 -0.21 -0.42 3.80 7.12 -0.51 -1.76 115.31 124.03 2d7h h LEU 80 Ca 0.18 -0.21 -0.00 0.00 0.13 0.00 0.00 57.88 57.98 2d7h h LEU 80 Cb 0.01 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.18 2d7h h LEU 80 CO -0.03 0.11 0.25 -0.07 -0.13 0.00 0.00 178.44 178.57 2d7h h LEU 81 N -0.54 0.51 -1.20 2.25 3.38 -0.90 0.19 115.31 119.00 2d7h h LEU 81 Ca -0.03 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2d7h h LEU 81 Cb 0.41 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2d7h h LEU 81 CO 0.04 0.42 0.54 -0.07 0.09 0.00 0.00 178.44 179.46 2d7h h LEU 82 N 0.56 0.91 0.71 1.67 3.38 -1.40 0.19 115.31 121.34 2d7h h LEU 82 Ca 0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2d7h h LEU 82 Cb 0.00 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.54 2d7h h LEU 82 CO -0.03 0.65 -0.34 -0.25 0.09 0.00 0.00 178.44 178.56 2d7h h TRP 83 N 1.07 -0.88 -0.81 1.13 7.01 -0.65 -2.75 115.95 120.07 2d7h h TRP 83 Ca 0.31 -0.02 0.19 0.00 2.11 0.00 0.00 58.89 61.48 2d7h h TRP 83 Cb -0.05 0.29 -0.12 0.00 -2.10 0.00 0.00 29.16 27.18 2d7h h TRP 83 CO -0.00 -0.52 0.26 0.00 -2.79 0.00 0.00 178.44 175.38 2d7h h ALA 84 N -0.99 1.15 -0.31 2.65 0.00 -0.07 0.39 119.26 122.09 2d7h h ALA 84 Ca -0.10 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2d7h h ALA 84 Cb 0.76 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2d7h h ALA 84 CO 0.16 -0.35 0.14 0.00 0.00 0.00 0.00 179.25 179.20 2d7h h ALA 85 N 1.67 0.37 0.29 0.00 0.00 -0.58 0.05 119.26 121.04 2d7h h ALA 85 Ca 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2d7h h ALA 85 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2d7h h ALA 85 CO -0.53 -0.25 -0.14 0.22 0.00 0.00 0.00 179.25 178.55 2d7h h ASP 86 N 0.29 -0.32 -0.29 0.00 3.58 -0.84 0.59 116.42 119.43 2d7h h ASP 86 Ca 0.13 -0.21 0.05 0.00 0.42 0.00 0.00 57.03 57.42 2d7h h ASP 86 Cb 0.07 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 2d7h h ASP 86 CO -0.11 0.11 0.02 0.22 -2.88 0.00 0.00 179.24 176.60 2d7h h TYR 87 N -0.84 0.03 -0.46 0.28 3.20 -0.25 -2.35 116.97 116.57 2d7h h TYR 87 Ca -0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2d7h h TYR 87 Cb 0.52 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2d7h h TYR 87 CO 0.04 -0.02 0.00 0.66 -1.64 0.00 0.00 178.16 177.20 2d7h n TYR 88 N -5.14 0.78 -3.58 -3.82 4.02 -0.00 -4.96 117.16 104.47 2d7h n TYR 88 Ca -0.00 -0.35 -0.28 0.00 -0.01 0.00 0.00 57.90 57.26 2d7h n TYR 88 Cb 0.14 -0.07 0.05 0.00 -0.02 0.00 0.00 39.34 39.44 2d7h n TYR 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2d7h n HIS 89 N 0.80 -2.04 -5.01 -0.72 8.25 -0.71 -5.01 115.22 110.77 2d7h n HIS 89 Ca 0.16 0.55 -0.30 0.00 -0.26 0.00 0.00 57.72 57.87 2d7h n HIS 89 Cb 0.49 -3.59 -0.15 0.00 1.12 0.00 0.00 29.99 27.86 2d7h n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2d7h s HIS 90 N -3.44 2.23 0.04 4.41 3.76 0.20 -5.02 115.29 117.47 2d7h s HIS 90 Ca 0.47 -0.41 -0.31 0.00 -0.15 0.00 0.00 55.06 54.66 2d7h s HIS 90 Cb -0.14 -1.38 -0.10 0.00 1.11 0.00 0.00 32.58 32.07 2d7h s HIS 90 CO 0.83 0.06 1.94 -2.30 -0.85 0.00 0.00 174.74 174.42 2d7h n PRO 91 N 2.05 2.78 -0.30 8.40 -0.02 -1.26 -4.49 135.00 142.15 2d7h n PRO 91 Ca -0.16 1.02 0.11 0.00 -2.02 0.00 0.00 63.50 62.44 2d7h n PRO 91 Cb 0.52 -2.95 0.28 0.00 -0.02 0.00 0.00 33.50 31.33 2d7h n PRO 91 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2d7h h ILE 92 N 5.40 0.52 -0.28 4.25 -0.00 -1.89 0.50 117.51 126.01 2d7h h ILE 92 Ca -0.49 -0.14 -0.04 0.00 -0.00 0.00 0.00 64.86 64.19 2d7h h ILE 92 Cb 1.24 0.07 -0.02 0.00 -0.00 0.00 0.00 36.82 38.11 2d7h h ILE 92 CO 0.94 0.08 0.00 1.23 -0.00 0.00 0.00 178.15 180.40 2d7h h GLY 93 N 0.42 0.46 0.68 8.18 0.00 -1.89 0.32 103.07 111.24 2d7h h GLY 93 Ca 0.52 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 2d7h h GLY 93 CO -0.50 0.24 -0.09 -1.80 0.00 0.00 0.00 176.54 174.39 2d7h h ASP 94 N 0.42 -0.21 -0.22 0.19 -0.00 -0.46 -1.71 116.42 114.43 2d7h h ASP 94 Ca 0.09 -0.23 0.03 0.00 -0.00 0.00 0.00 57.03 56.92 2d7h h ASP 94 Cb 0.27 0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 39.63 2d7h h ASP 94 CO 0.01 0.13 0.05 0.58 -0.00 0.00 0.00 179.24 180.01 2d7h h VAL 95 N -0.58 0.90 0.26 2.25 2.07 -0.79 -1.48 116.25 118.89 2d7h h VAL 95 Ca -0.03 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2d7h h VAL 95 Cb 0.43 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2d7h h VAL 95 CO 0.04 0.02 -0.12 -0.07 0.02 0.00 0.00 177.57 177.46 2d7h h LEU 96 N 0.14 -0.29 -1.31 2.57 3.38 -0.95 0.25 115.31 119.10 2d7h h LEU 96 Ca 0.10 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2d7h h LEU 96 Cb 0.10 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2d7h h LEU 96 CO -0.13 -0.13 -0.33 -0.26 0.09 0.00 0.00 178.44 177.68 2d7h h PHE 97 N -0.44 0.03 0.09 1.13 -1.00 -1.24 -1.50 116.94 114.00 2d7h h PHE 97 Ca -0.04 -0.01 -0.26 0.00 2.81 0.00 0.00 57.97 60.48 2d7h h PHE 97 Cb 0.33 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.89 2d7h h PHE 97 CO -0.03 0.35 -1.14 0.45 -1.61 0.00 0.00 178.31 176.33 2d7h h HIS 98 N 0.02 0.54 -0.52 -0.55 3.86 -1.22 -3.28 115.15 114.00 2d7h h HIS 98 Ca 0.00 -0.35 -0.05 0.00 -1.16 0.00 0.00 60.37 58.81 2d7h h HIS 98 Cb 0.60 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 2d7h h HIS 98 CO 0.00 1.23 0.12 0.00 0.86 0.00 0.00 177.93 180.14 2d7h h ALA 99 N 0.64 1.23 0.05 2.45 0.00 -0.58 -3.29 119.26 119.77 2d7h h ALA 99 Ca -0.12 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2d7h h ALA 99 Cb 1.83 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 2d7h h ALA 99 CO 0.19 0.53 -0.31 1.25 0.00 0.00 0.00 179.25 180.91 2d7h h LEU 100 N 0.77 -0.91 -1.37 0.00 5.85 -1.34 0.16 115.31 118.46 2d7h h LEU 100 Ca 0.17 0.11 0.07 0.00 0.84 0.00 0.00 57.88 59.07 2d7h h LEU 100 Cb 0.30 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 2d7h h LEU 100 CO -0.00 -0.38 0.49 -0.65 -0.34 0.00 0.00 178.44 177.55 2d7h h PRO 101 N -0.49 0.72 0.12 5.25 0.11 -1.72 -0.35 132.00 135.65 2d7h h PRO 101 Ca 0.05 -0.04 -0.30 0.00 0.11 0.00 0.00 66.00 65.82 2d7h h PRO 101 Cb 0.55 -0.16 0.03 0.00 0.11 0.00 0.00 31.00 31.53 2d7h h PRO 101 CO -0.22 0.48 -1.25 0.82 -0.21 0.00 0.00 178.00 177.61 2d7h h ILE 102 N 0.74 1.29 -0.75 4.15 5.03 -1.61 -3.28 117.51 123.09 2d7h h ILE 102 Ca 0.32 -2.49 -0.05 0.00 -0.12 0.00 0.00 64.86 62.53 2d7h h ILE 102 Cb 0.31 2.70 -0.03 0.00 -3.03 0.00 0.00 36.82 36.77 2d7h h ILE 102 CO -0.11 0.76 0.29 -0.07 -0.68 0.00 0.00 178.15 178.33 2d7h h LEU 103 N 0.27 1.04 -0.23 1.44 3.38 -0.41 -3.52 115.31 117.28 2d7h h LEU 103 Ca -0.19 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2d7h h LEU 103 Cb 1.92 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2d7h h LEU 103 CO 0.24 0.93 0.00 0.18 0.09 0.00 0.00 178.44 179.88