#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pm7 s LYS 2 N 0.00 0.24 -0.18 0.03 -2.85 -0.91 -4.93 119.74 111.14 1pm7 s LYS 2 Ca 0.00 0.56 -0.05 0.00 -1.00 0.00 0.00 55.97 55.48 1pm7 s LYS 2 Cb 0.00 -0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.65 1pm7 s LYS 2 CO 0.00 -0.16 -0.01 0.00 0.10 0.00 0.00 175.35 175.28 1pm7 s ALA 3 N 1.22 3.04 -0.21 0.59 0.00 -1.26 -1.20 121.76 123.94 1pm7 s ALA 3 Ca -0.09 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 1pm7 s ALA 3 Cb -0.10 -1.70 0.06 0.00 0.00 0.00 0.00 23.12 21.38 1pm7 s ALA 3 CO -0.09 0.01 -0.04 0.50 0.00 0.00 0.00 175.76 176.14 1pm7 s ARG 4 N 0.72 1.45 0.30 0.00 3.52 0.18 -4.97 118.95 120.15 1pm7 s ARG 4 Ca -0.00 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.50 1pm7 s ARG 4 Cb -0.14 -2.41 -0.10 0.00 -1.56 0.00 0.00 34.95 30.74 1pm7 s ARG 4 CO 0.02 -0.57 1.31 -2.00 -0.81 0.00 0.00 175.30 173.25 1pm7 s GLU 5 N 1.51 4.37 0.96 5.12 2.12 -1.26 -1.00 118.70 130.52 1pm7 s GLU 5 Ca -0.04 2.18 -0.15 0.00 0.36 0.00 0.00 54.97 57.32 1pm7 s GLU 5 Cb -0.18 -3.10 0.21 0.00 0.26 0.00 0.00 34.13 31.32 1pm7 s GLU 5 CO -0.07 -0.20 1.31 -0.51 -0.54 0.00 0.00 175.26 175.25 1pm7 s LEU 6 N -1.33 2.75 0.49 2.70 1.43 0.31 -4.89 118.68 120.14 1pm7 s LEU 6 Ca 0.51 0.18 0.31 0.00 -1.03 0.00 0.00 54.13 54.10 1pm7 s LEU 6 Cb -0.39 -2.20 1.19 0.00 0.03 0.00 0.00 46.19 44.82 1pm7 s LEU 6 CO 0.49 -2.75 1.90 0.44 0.23 0.00 0.00 176.35 176.66 1pm7 h ASP 7 N -1.62 0.00 -3.54 2.29 3.32 -1.93 -3.36 116.42 111.58 1pm7 h ASP 7 Ca -0.44 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.99 1pm7 h ASP 7 Cb 1.23 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 1pm7 h ASP 7 CO 0.36 0.00 0.31 -0.69 -1.72 0.00 0.00 179.24 177.50 1pm7 s VAL 8 N -3.55 4.77 0.15 -1.35 1.01 -1.26 -5.00 120.40 115.17 1pm7 s VAL 8 Ca 0.02 0.76 -0.31 0.00 0.00 0.00 0.00 61.98 62.45 1pm7 s VAL 8 Cb 0.09 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1pm7 s VAL 8 CO 0.53 -0.43 1.48 -2.84 0.00 0.00 0.00 175.10 173.84 1pm7 s PRO 9 N 3.01 4.27 0.00 2.72 0.02 -1.26 -2.84 135.00 140.92 1pm7 s PRO 9 Ca 0.29 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1pm7 s PRO 9 Cb -0.13 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.20 1pm7 s PRO 9 CO 0.17 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 1pm7 n GLY 10 N 3.48 1.05 2.98 0.52 0.00 -1.26 -5.04 105.19 106.92 1pm7 n GLY 10 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1pm7 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pm7 s ALA 11 N -2.00 0.76 -0.01 4.61 0.00 -1.13 -1.84 121.76 122.15 1pm7 s ALA 11 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1pm7 s ALA 11 Cb 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 1pm7 s ALA 11 CO 0.00 0.11 -0.06 -1.58 0.00 0.00 0.00 175.76 174.23 1pm7 s TRP 12 N 0.24 0.60 -0.20 0.00 0.51 -0.51 -0.53 118.94 119.06 1pm7 s TRP 12 Ca -0.03 -0.12 -0.20 0.00 -2.12 0.00 0.00 56.10 53.62 1pm7 s TRP 12 Cb -0.08 -0.41 -0.03 0.00 -0.81 0.00 0.00 33.47 32.14 1pm7 s TRP 12 CO 0.00 -0.03 0.60 -2.00 -0.51 0.00 0.00 176.95 175.02 1pm7 s GLU 13 N -0.03 4.20 -0.17 4.98 2.12 -0.17 -0.69 118.70 128.95 1pm7 s GLU 13 Ca 0.01 0.56 -0.03 0.00 0.36 0.00 0.00 54.97 55.87 1pm7 s GLU 13 Cb -0.04 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 1pm7 s GLU 13 CO -0.00 -0.23 -0.05 0.42 -0.54 0.00 0.00 175.26 174.85 1pm7 s ILE 14 N 1.90 3.66 -0.15 -3.70 1.09 0.12 -0.64 121.20 123.48 1pm7 s ILE 14 Ca 0.27 -0.43 -0.02 0.00 -1.10 0.00 0.00 60.65 59.37 1pm7 s ILE 14 Cb -0.16 -2.61 -0.02 0.00 -1.06 0.00 0.00 42.46 38.61 1pm7 s ILE 14 CO 0.10 0.48 -0.08 -0.89 -0.10 0.00 0.00 174.94 174.45 1pm7 s THR 15 N 0.63 3.45 0.64 2.92 2.01 -0.34 -0.49 115.64 124.45 1pm7 s THR 15 Ca -0.03 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 1pm7 s THR 15 Cb -0.15 -2.49 0.04 0.00 0.01 0.00 0.00 72.50 69.91 1pm7 s THR 15 CO 0.02 0.50 0.93 -2.16 -0.69 0.00 0.00 174.62 173.22 1pm7 s PRO 16 N 0.47 2.51 -0.29 4.92 0.04 -1.26 0.91 135.00 142.30 1pm7 s PRO 16 Ca -0.06 -0.26 -0.18 0.00 0.04 0.00 0.00 61.00 60.53 1pm7 s PRO 16 Cb -0.15 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1pm7 s PRO 16 CO 0.04 -0.95 0.52 0.99 0.04 0.00 0.00 177.00 177.64 1pm7 s THR 17 N -3.07 5.04 -0.30 1.26 2.01 -1.26 -2.68 115.64 116.64 1pm7 s THR 17 Ca 0.57 0.70 -0.10 0.00 0.31 0.00 0.00 61.69 63.18 1pm7 s THR 17 Cb -0.11 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 1pm7 s THR 17 CO 0.44 -0.03 0.15 -0.63 -0.69 0.00 0.00 174.62 173.86 1pm7 s ILE 18 N 2.37 4.71 -0.18 1.82 1.01 -1.26 -4.47 121.20 125.19 1pm7 s ILE 18 Ca 0.21 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 1pm7 s ILE 18 Cb -0.15 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1pm7 s ILE 18 CO 0.11 0.13 0.50 -1.00 0.00 0.00 0.00 174.94 174.68 1pm7 s HIS 19 N 1.64 3.40 -0.07 3.97 3.76 -0.64 -4.98 115.29 122.37 1pm7 s HIS 19 Ca 0.05 0.79 0.04 0.00 -0.15 0.00 0.00 55.06 55.80 1pm7 s HIS 19 Cb -0.17 -2.64 -0.02 0.00 1.11 0.00 0.00 32.58 30.87 1pm7 s HIS 19 CO 0.07 -0.04 -0.20 0.08 -0.85 0.00 0.00 174.74 173.80 1pm7 s VAL 20 N 1.41 2.51 0.05 -0.90 1.01 -1.26 -1.33 120.40 121.89 1pm7 s VAL 20 Ca 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1pm7 s VAL 20 Cb -0.15 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1pm7 s VAL 20 CO 0.10 0.57 0.06 -0.90 0.00 0.00 0.00 175.10 174.93 1pm7 n ASP 21 N 2.86 -0.17 -0.17 3.32 5.68 -0.12 -5.01 116.55 122.94 1pm7 n ASP 21 Ca -0.17 -1.27 0.08 0.00 -0.50 0.00 0.00 54.79 52.93 1pm7 n ASP 21 Cb 0.52 0.32 0.38 0.00 -1.14 0.00 0.00 41.12 41.21 1pm7 n ASP 21 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1pm7 h SER 22 N 0.27 0.60 0.89 -1.12 4.64 -2.04 -2.34 113.55 114.46 1pm7 h SER 22 Ca -0.04 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1pm7 h SER 22 Cb 0.16 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1pm7 h SER 22 CO 0.05 0.38 0.00 0.03 -0.87 0.00 0.00 176.83 176.42 1pm7 h ARG 23 N 0.68 0.00 0.00 4.77 3.08 -2.01 -3.49 114.38 117.41 1pm7 h ARG 23 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1pm7 h ARG 23 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1pm7 h ARG 23 CO -0.11 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.20 1pm7 n GLY 24 N 0.16 0.12 3.12 0.04 0.00 -0.88 -5.10 105.19 102.65 1pm7 n GLY 24 Ca 0.02 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 1pm7 n GLY 24 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1pm7 s LEU 25 N 0.00 2.45 0.04 0.99 0.05 -1.26 -0.94 118.68 120.01 1pm7 s LEU 25 Ca 0.00 -0.90 -0.04 0.00 0.05 0.00 0.00 54.13 53.24 1pm7 s LEU 25 Cb 0.00 -0.01 -0.02 0.00 -2.05 0.00 0.00 46.19 44.11 1pm7 s LEU 25 CO 0.00 -0.45 0.07 0.72 -0.55 0.00 0.00 176.35 176.14 1pm7 s PHE 26 N -3.20 0.26 0.18 3.48 -0.12 -0.44 -5.02 117.98 113.10 1pm7 s PHE 26 Ca 0.06 -0.60 -0.20 0.00 -0.05 0.00 0.00 56.93 56.13 1pm7 s PHE 26 Cb 0.03 -0.18 0.05 0.00 -0.63 0.00 0.00 43.02 42.28 1pm7 s PHE 26 CO -0.05 -0.36 0.56 -0.59 -0.05 0.00 0.00 175.22 174.73 1pm7 s PHE 27 N -2.76 -0.33 -0.50 3.49 -0.71 -1.26 -1.63 117.98 114.28 1pm7 s PHE 27 Ca -0.04 0.04 -0.26 0.00 -1.04 0.00 0.00 56.93 55.63 1pm7 s PHE 27 Cb -0.00 0.48 0.03 0.00 -1.21 0.00 0.00 43.02 42.32 1pm7 s PHE 27 CO -0.05 -0.89 0.99 -1.21 -1.34 0.00 0.00 175.22 172.72 1pm7 s GLU 28 N -3.81 3.51 0.11 1.99 2.02 -1.26 -4.92 118.70 116.33 1pm7 s GLU 28 Ca 0.05 0.13 -0.12 0.00 0.02 0.00 0.00 54.97 55.04 1pm7 s GLU 28 Cb -0.01 -3.97 -0.15 0.00 0.10 0.00 0.00 34.13 30.11 1pm7 s GLU 28 CO -0.08 -1.37 1.31 2.35 0.02 0.00 0.00 175.26 177.49 1pm7 h TRP 29 N 9.22 1.06 -3.13 1.61 7.01 -1.99 -3.45 115.95 126.27 1pm7 h TRP 29 Ca -0.24 -0.47 -0.16 0.00 2.11 0.00 0.00 58.89 60.12 1pm7 h TRP 29 Cb 1.07 -0.16 -0.26 0.00 -2.10 0.00 0.00 29.16 27.71 1pm7 h TRP 29 CO 0.92 1.30 -0.43 -1.17 -2.79 0.00 0.00 178.44 176.27 1pm7 s LEU 30 N -8.40 1.05 0.05 0.65 0.20 -1.26 -5.05 118.68 105.92 1pm7 s LEU 30 Ca -0.10 0.50 0.05 0.00 0.69 0.00 0.00 54.13 55.27 1pm7 s LEU 30 Cb 0.09 0.86 -0.02 0.00 -0.43 0.00 0.00 46.19 46.68 1pm7 s LEU 30 CO 0.90 -0.09 -0.14 0.42 -0.29 0.00 0.00 176.35 177.16 1pm7 s THR 31 N 0.12 1.08 0.09 3.68 -4.23 -1.26 -5.06 115.64 110.06 1pm7 s THR 31 Ca -0.00 -1.09 -0.26 0.00 -1.18 0.00 0.00 61.69 59.17 1pm7 s THR 31 Cb -0.02 -1.00 -0.15 0.00 1.34 0.00 0.00 72.50 72.66 1pm7 s THR 31 CO 0.00 -0.08 1.71 -0.78 -0.54 0.00 0.00 174.62 174.93 1pm7 h ASP 32 N 4.73 -0.22 -0.88 3.99 3.58 -1.99 -0.72 116.42 124.91 1pm7 h ASP 32 Ca -0.39 0.01 0.12 0.00 0.42 0.00 0.00 57.03 57.20 1pm7 h ASP 32 Cb 1.18 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 42.21 1pm7 h ASP 32 CO 0.43 -0.15 0.50 1.12 -2.88 0.00 0.00 179.24 178.25 1pm7 h HIS 33 N -0.24 0.89 -0.22 0.28 2.07 -1.99 -0.79 115.15 115.14 1pm7 h HIS 33 Ca -0.02 0.03 -0.10 0.00 -2.85 0.00 0.00 60.37 57.44 1pm7 h HIS 33 Cb 0.19 -0.27 -0.00 0.00 2.57 0.00 0.00 27.41 29.90 1pm7 h HIS 33 CO -0.07 0.30 -0.24 0.78 -3.07 0.00 0.00 177.93 175.63 1pm7 h GLY 34 N 0.77 0.61 0.62 6.13 0.00 -1.93 -2.99 103.07 106.27 1pm7 h GLY 34 Ca 0.45 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1pm7 h GLY 34 CO -0.30 0.57 -0.02 -2.75 0.00 0.00 0.00 176.54 174.04 1pm7 h PHE 35 N 0.25 0.11 -1.13 5.60 3.57 -0.82 -2.94 116.94 121.58 1pm7 h PHE 35 Ca 0.03 -0.03 0.31 0.00 3.53 0.00 0.00 57.97 61.82 1pm7 h PHE 35 Cb 0.80 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.42 1pm7 h PHE 35 CO 0.08 0.50 0.75 0.00 -2.23 0.00 0.00 178.31 177.40 1pm7 h ARG 36 N -0.31 0.24 -0.38 1.11 3.08 -1.22 -0.10 114.38 116.80 1pm7 h ARG 36 Ca 0.01 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1pm7 h ARG 36 Cb 0.47 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1pm7 h ARG 36 CO 0.01 0.16 0.07 0.00 -1.07 0.00 0.00 179.97 179.13 1pm7 h ALA 37 N 1.56 0.40 0.00 0.04 0.00 -1.36 -0.79 119.26 119.12 1pm7 h ALA 37 Ca 0.63 0.08 -0.38 0.00 0.00 0.00 0.00 54.91 55.24 1pm7 h ALA 37 Cb 1.87 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.70 1pm7 h ALA 37 CO -0.25 -0.34 -2.44 1.97 0.00 0.00 0.00 179.25 178.20 1pm7 n PHE 38 N -5.11 0.00 0.21 0.00 1.16 -0.86 -4.42 117.46 108.45 1pm7 n PHE 38 Ca 0.02 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.71 1pm7 n PHE 38 Cb 0.18 -0.98 0.15 0.00 -1.61 0.00 0.00 39.48 37.22 1pm7 n PHE 38 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1pm7 h ALA 39 N 0.06 0.96 0.00 1.98 0.00 -1.16 -3.48 119.26 117.62 1pm7 h ALA 39 Ca -0.56 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1pm7 h ALA 39 Cb 1.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1pm7 h ALA 39 CO -0.08 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1pm7 n GLY 40 N 1.11 0.89 3.72 0.00 0.00 -0.30 -4.97 105.19 105.64 1pm7 n GLY 40 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1pm7 n GLY 40 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pm7 s HIS 41 N -3.52 -0.20 0.30 1.61 -3.43 -1.25 -4.91 115.29 103.89 1pm7 s HIS 41 Ca 0.00 -0.19 -0.26 0.00 -0.80 0.00 0.00 55.06 53.81 1pm7 s HIS 41 Cb 0.00 0.60 -0.10 0.00 -1.43 0.00 0.00 32.58 31.66 1pm7 s HIS 41 CO 0.00 -1.11 0.92 -1.12 -2.00 0.00 0.00 174.74 171.43 1pm7 s SER 42 N -2.89 7.33 -0.19 7.38 0.01 -1.26 -3.90 113.70 120.18 1pm7 s SER 42 Ca 0.10 1.80 -0.29 0.00 1.31 0.00 0.00 55.95 58.87 1pm7 s SER 42 Cb -0.04 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.62 1pm7 s SER 42 CO 0.02 -0.04 1.11 -0.22 0.41 0.00 0.00 173.24 174.53 1pm7 s LEU 43 N -1.97 4.15 -0.36 2.44 2.96 -1.26 -5.02 118.68 119.62 1pm7 s LEU 43 Ca 0.49 1.51 -0.14 0.00 -0.22 0.00 0.00 54.13 55.77 1pm7 s LEU 43 Cb -0.19 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1pm7 s LEU 43 CO 0.24 -0.68 0.26 1.51 -1.32 0.00 0.00 176.35 176.37 1pm7 s ASP 44 N 1.45 6.08 -0.46 3.68 -4.77 -1.26 -5.02 116.67 116.37 1pm7 s ASP 44 Ca 0.48 -0.57 -0.26 0.00 -3.30 0.00 0.00 52.55 48.90 1pm7 s ASP 44 Cb -0.18 -2.15 0.03 0.00 -1.09 0.00 0.00 42.92 39.53 1pm7 s ASP 44 CO 0.10 -0.31 0.94 -0.69 0.70 0.00 0.00 175.17 175.92 1pm7 s VAL 45 N 1.71 4.46 -0.73 2.11 1.01 -1.26 -4.03 120.40 123.68 1pm7 s VAL 45 Ca 0.06 0.79 0.12 0.00 0.00 0.00 0.00 61.98 62.95 1pm7 s VAL 45 Cb -0.18 -4.44 -0.09 0.00 0.00 0.00 0.00 36.38 31.67 1pm7 s VAL 45 CO 0.10 -0.83 0.57 0.54 0.00 0.00 0.00 175.10 175.48 1pm7 n ARG 46 N 7.18 2.76 -3.56 2.72 1.74 0.35 -4.99 116.66 122.85 1pm7 n ARG 46 Ca 0.06 -0.20 -0.15 0.00 -0.77 0.00 0.00 57.85 56.79 1pm7 n ARG 46 Cb 0.48 -1.09 -0.06 0.00 -1.02 0.00 0.00 32.46 30.78 1pm7 n ARG 46 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pm7 s GLN 47 N -1.96 0.89 -0.06 5.56 0.74 -1.06 -4.51 119.66 119.26 1pm7 s GLN 47 Ca 0.06 0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.88 1pm7 s GLN 47 Cb 0.09 0.42 0.02 0.00 1.10 0.00 0.00 33.01 34.65 1pm7 s GLN 47 CO 0.44 -0.24 -0.05 0.08 -0.55 0.00 0.00 175.29 174.97 1pm7 s VAL 48 N -0.77 0.62 0.23 1.34 1.01 -1.26 -0.30 120.40 121.27 1pm7 s VAL 48 Ca -0.06 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1pm7 s VAL 48 Cb -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1pm7 s VAL 48 CO 0.06 0.27 0.02 0.20 0.00 0.00 0.00 175.10 175.64 1pm7 s ASN 49 N 1.24 4.75 -0.00 3.32 0.01 -0.17 -4.93 114.94 119.15 1pm7 s ASN 49 Ca -0.06 -0.50 -0.00 0.00 -0.71 0.00 0.00 52.86 51.59 1pm7 s ASN 49 Cb -0.14 -0.98 0.00 0.00 0.41 0.00 0.00 41.25 40.55 1pm7 s ASN 49 CO -0.02 0.03 0.01 0.00 -1.51 0.00 0.00 177.10 175.61 1pm7 s SER 51 N 0.04 0.22 -0.09 0.00 1.04 -0.35 -4.98 113.70 109.57 1pm7 s SER 51 Ca -0.00 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1pm7 s SER 51 Cb -0.00 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1pm7 s SER 51 CO -0.00 -0.63 -0.08 -0.69 0.98 0.00 0.00 173.24 172.82 1pm7 s VAL 52 N -3.46 0.94 0.04 5.02 1.01 -1.26 -0.36 120.40 122.34 1pm7 s VAL 52 Ca 0.02 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.80 1pm7 s VAL 52 Cb 0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1pm7 s VAL 52 CO -0.09 0.34 -0.24 -0.44 0.00 0.00 0.00 175.10 174.68 1pm7 s SER 53 N 1.38 2.82 0.73 3.32 0.01 0.51 -4.91 113.70 117.56 1pm7 s SER 53 Ca -0.02 -0.55 -0.10 0.00 1.31 0.00 0.00 55.95 56.59 1pm7 s SER 53 Cb -0.14 -0.25 0.05 0.00 0.21 0.00 0.00 66.02 65.90 1pm7 s SER 53 CO -0.04 0.21 1.08 -0.94 0.41 0.00 0.00 173.24 173.96 1pm7 s SER 54 N -1.19 4.92 0.20 2.44 1.04 -1.26 -1.82 113.70 118.02 1pm7 s SER 54 Ca 0.10 0.75 -0.32 0.00 0.48 0.00 0.00 55.95 56.95 1pm7 s SER 54 Cb -0.09 -1.41 -0.14 0.00 0.10 0.00 0.00 66.02 64.48 1pm7 s SER 54 CO 0.02 -1.60 1.44 0.00 0.98 0.00 0.00 173.24 174.08 1pm7 n ALA 55 N -3.05 0.98 -0.47 5.32 0.00 -1.22 -3.08 120.51 118.98 1pm7 n ALA 55 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1pm7 n ALA 55 Cb 0.60 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1pm7 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pm7 n GLY 56 N 2.56 0.75 3.80 0.00 0.00 -1.00 -4.92 105.19 106.38 1pm7 n GLY 56 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1pm7 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pm7 s VAL 57 N -2.62 5.10 -0.13 1.61 0.11 -1.18 -1.01 120.40 122.29 1pm7 s VAL 57 Ca 0.00 0.82 0.03 0.00 -2.93 0.00 0.00 61.98 59.90 1pm7 s VAL 57 Cb 0.00 -3.72 0.01 0.00 -1.53 0.00 0.00 36.38 31.14 1pm7 s VAL 57 CO 0.00 0.51 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.84 1pm7 s LEU 58 N -0.57 2.13 -0.18 2.54 0.20 -0.19 -1.72 118.68 120.88 1pm7 s LEU 58 Ca 0.23 -0.58 -0.00 0.00 0.69 0.00 0.00 54.13 54.47 1pm7 s LEU 58 Cb -0.16 -1.44 0.01 0.00 -0.43 0.00 0.00 46.19 44.17 1pm7 s LEU 58 CO 0.12 0.11 -0.16 -0.13 -0.29 0.00 0.00 176.35 176.00 1pm7 s ARG 59 N 0.64 3.11 0.00 1.98 0.52 -0.62 -4.47 118.95 120.12 1pm7 s ARG 59 Ca -0.11 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 1pm7 s ARG 59 Cb -0.16 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.64 1pm7 s ARG 59 CO 0.02 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.59 1pm7 n GLY 60 N 4.54 1.30 3.75 -3.53 0.00 -1.26 -1.47 105.19 108.52 1pm7 n GLY 60 Ca -0.20 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.43 1pm7 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pm7 s LEU 61 N 0.00 4.33 0.05 0.99 1.43 -0.89 -4.35 118.68 120.25 1pm7 s LEU 61 Ca 0.00 0.82 0.07 0.00 -1.03 0.00 0.00 54.13 53.99 1pm7 s LEU 61 Cb 0.00 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 1pm7 s LEU 61 CO 0.00 0.11 -0.16 -1.00 0.23 0.00 0.00 176.35 175.52 1pm7 s HIS 62 N 0.11 2.60 0.04 0.29 3.76 -0.66 -1.07 115.29 120.35 1pm7 s HIS 62 Ca 0.24 -0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 54.84 1pm7 s HIS 62 Cb -0.15 -1.46 -0.00 0.00 1.11 0.00 0.00 32.58 32.08 1pm7 s HIS 62 CO 0.10 0.29 0.16 -0.59 -0.85 0.00 0.00 174.74 173.86 1pm7 s PHE 63 N -0.98 0.10 -0.16 1.40 -0.12 -0.89 -1.93 117.98 115.39 1pm7 s PHE 63 Ca 0.16 -0.34 -0.05 0.00 -0.05 0.00 0.00 56.93 56.65 1pm7 s PHE 63 Cb -0.11 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.19 1pm7 s PHE 63 CO 0.07 -0.40 -0.01 0.00 -0.05 0.00 0.00 175.22 174.82 1pm7 s ALA 64 N -2.54 3.10 0.40 1.99 0.00 -1.26 -1.16 121.76 122.29 1pm7 s ALA 64 Ca -0.05 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 50.87 1pm7 s ALA 64 Cb -0.01 -1.65 -0.13 0.00 0.00 0.00 0.00 23.12 21.32 1pm7 s ALA 64 CO -0.04 0.19 0.54 1.04 0.00 0.00 0.00 175.76 177.50 1pm7 n GLN 65 N 3.56 0.55 0.31 0.00 6.02 -0.53 -4.31 117.38 122.99 1pm7 n GLN 65 Ca -0.17 0.20 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 1pm7 n GLN 65 Cb 0.52 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.25 1pm7 n GLN 65 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1pm7 h LEU 66 N 0.85 -0.70 -9.10 1.08 5.85 -1.92 -0.55 115.31 110.82 1pm7 h LEU 66 Ca -0.39 0.02 -0.71 0.00 0.84 0.00 0.00 57.88 57.64 1pm7 h LEU 66 Cb 1.40 0.18 0.08 0.00 0.37 0.00 0.00 40.66 42.69 1pm7 h LEU 66 CO 0.52 -0.35 -0.05 -2.65 -0.34 0.00 0.00 178.44 175.58 1pm7 n PRO 67 N -5.06 0.36 0.00 5.25 -0.02 -1.26 0.35 135.00 134.62 1pm7 n PRO 67 Ca -0.10 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1pm7 n PRO 67 Cb 0.33 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1pm7 n PRO 67 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1pm7 n PRO 68 N 1.44 0.00 0.00 0.52 -0.01 -1.26 -5.02 135.00 130.67 1pm7 n PRO 68 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.67 1pm7 n PRO 68 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.67 1pm7 n PRO 68 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1pm7 n SER 69 N 0.00 -1.71 -3.37 2.55 2.88 1.10 -4.80 113.62 110.26 1pm7 n SER 69 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1pm7 n SER 69 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1pm7 n SER 69 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1pm7 s GLN 70 N 0.00 0.35 0.47 -1.46 0.74 -1.26 -4.55 119.66 113.94 1pm7 s GLN 70 Ca 0.00 -0.07 -0.21 0.00 0.05 0.00 0.00 55.36 55.13 1pm7 s GLN 70 Cb 0.00 -0.56 -0.09 0.00 1.10 0.00 0.00 33.01 33.46 1pm7 s GLN 70 CO 0.00 -1.03 1.04 0.00 -0.55 0.00 0.00 175.29 174.75 1pm7 s ALA 71 N 2.41 2.91 -0.06 1.58 0.00 -1.26 -4.74 121.76 122.60 1pm7 s ALA 71 Ca 0.09 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.69 1pm7 s ALA 71 Cb -0.13 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1pm7 s ALA 71 CO -0.32 -0.29 -0.10 0.15 0.00 0.00 0.00 175.76 175.20 1pm7 s LYS 72 N -3.10 1.42 -0.32 0.00 1.02 -0.48 -1.51 119.74 116.76 1pm7 s LYS 72 Ca 0.66 -0.31 -0.02 0.00 0.02 0.00 0.00 55.97 56.32 1pm7 s LYS 72 Cb -0.17 -1.23 0.06 0.00 -0.52 0.00 0.00 37.83 35.97 1pm7 s LYS 72 CO 0.21 -0.02 0.04 -0.47 -0.92 0.00 0.00 175.35 174.19 1pm7 s TYR 73 N 0.78 3.32 -0.09 3.18 5.04 -0.40 -0.06 117.35 129.11 1pm7 s TYR 73 Ca -0.13 -1.95 0.02 0.00 -2.44 0.00 0.00 57.07 52.57 1pm7 s TYR 73 Cb -0.15 -2.30 0.01 0.00 0.35 0.00 0.00 41.96 39.87 1pm7 s TYR 73 CO 0.02 -0.83 -0.16 0.08 -1.34 0.00 0.00 175.55 173.32 1pm7 s VAL 74 N 1.24 1.50 0.02 3.14 1.01 0.14 -1.31 120.40 126.13 1pm7 s VAL 74 Ca -0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1pm7 s VAL 74 Cb -0.20 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1pm7 s VAL 74 CO -0.01 0.44 0.01 0.28 0.00 0.00 0.00 175.10 175.82 1pm7 s THR 75 N 0.74 0.10 -0.26 3.92 -1.32 -0.47 -1.44 115.64 116.91 1pm7 s THR 75 Ca -0.12 -0.85 -0.11 0.00 -1.21 0.00 0.00 61.69 59.41 1pm7 s THR 75 Cb -0.16 -0.30 -0.05 0.00 -1.51 0.00 0.00 72.50 70.48 1pm7 s THR 75 CO 0.02 -0.47 0.17 0.00 -2.21 0.00 0.00 174.62 172.14 1pm7 n VAL 77 N 4.78 0.00 -3.62 0.00 0.24 -0.55 -4.05 118.33 115.13 1pm7 n VAL 77 Ca -0.14 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.34 61.55 1pm7 n VAL 77 Cb 0.52 1.31 -0.07 0.00 -1.47 0.00 0.00 33.84 34.14 1pm7 n VAL 77 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1pm7 s SER 78 N -1.41 -0.62 0.29 -1.34 1.04 -1.25 -4.82 113.70 105.60 1pm7 s SER 78 Ca 0.18 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1pm7 s SER 78 Cb 0.13 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.37 1pm7 s SER 78 CO 0.23 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1pm7 n GLY 79 N 2.25 -0.35 3.15 7.32 0.00 -1.24 -1.41 105.19 114.91 1pm7 n GLY 79 Ca -0.14 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 1pm7 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pm7 s SER 80 N -4.00 -0.17 0.03 1.61 1.04 -1.26 -2.57 113.70 108.39 1pm7 s SER 80 Ca 0.00 0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.68 1pm7 s SER 80 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 1pm7 s SER 80 CO 0.00 -0.25 -0.11 0.68 0.98 0.00 0.00 173.24 174.54 1pm7 s VAL 81 N -0.63 0.85 -0.46 5.02 -7.23 0.03 -0.52 120.40 117.46 1pm7 s VAL 81 Ca -0.07 -0.90 -0.19 0.00 -1.81 0.00 0.00 61.98 59.01 1pm7 s VAL 81 Cb -0.04 -0.80 0.04 0.00 0.56 0.00 0.00 36.38 36.14 1pm7 s VAL 81 CO 0.02 -0.08 0.57 0.12 -0.31 0.00 0.00 175.10 175.41 1pm7 s PHE 82 N -0.87 3.09 -0.10 2.82 5.36 -0.24 -1.19 117.98 126.86 1pm7 s PHE 82 Ca -0.01 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.52 1pm7 s PHE 82 Cb -0.07 -3.29 -0.04 0.00 -0.34 0.00 0.00 43.02 39.28 1pm7 s PHE 82 CO 0.01 -0.89 0.07 0.34 -1.46 0.00 0.00 175.22 173.28 1pm7 s ASP 83 N 2.27 5.76 -0.02 6.13 2.15 -0.62 -1.26 116.67 131.09 1pm7 s ASP 83 Ca 0.16 0.29 0.03 0.00 0.43 0.00 0.00 52.55 53.46 1pm7 s ASP 83 Cb -0.18 -1.75 -0.00 0.00 -0.30 0.00 0.00 42.92 40.70 1pm7 s ASP 83 CO 0.14 0.39 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.74 1pm7 s VAL 84 N -0.95 0.83 -0.02 1.11 1.01 0.12 -0.88 120.40 121.62 1pm7 s VAL 84 Ca 0.14 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1pm7 s VAL 84 Cb -0.12 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1pm7 s VAL 84 CO 0.03 0.25 -0.20 0.54 0.00 0.00 0.00 175.10 175.72 1pm7 s VAL 85 N -0.02 2.61 -0.02 2.92 0.11 -0.30 -1.13 120.40 124.56 1pm7 s VAL 85 Ca 0.00 -0.96 0.04 0.00 -2.93 0.00 0.00 61.98 58.13 1pm7 s VAL 85 Cb -0.07 -2.00 -0.01 0.00 -1.53 0.00 0.00 36.38 32.78 1pm7 s VAL 85 CO 0.00 0.54 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.48 1pm7 s VAL 86 N -0.72 1.13 -0.78 2.04 1.01 0.69 -2.08 120.40 121.69 1pm7 s VAL 86 Ca 0.11 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1pm7 s VAL 86 Cb -0.10 -0.97 0.10 0.00 0.00 0.00 0.00 36.38 35.41 1pm7 s VAL 86 CO 0.01 0.33 1.04 -0.62 0.00 0.00 0.00 175.10 175.85 1pm7 s ASP 87 N -0.09 6.38 -0.16 3.32 -1.08 -0.31 -1.89 116.67 122.84 1pm7 s ASP 87 Ca 0.01 -1.48 0.17 0.00 -0.52 0.00 0.00 52.55 50.72 1pm7 s ASP 87 Cb -0.08 -2.41 0.76 0.00 -1.46 0.00 0.00 42.92 39.73 1pm7 s ASP 87 CO 0.00 -1.27 1.68 2.30 0.52 0.00 0.00 175.17 178.41 1pm7 n ILE 88 N 5.75 2.20 -3.13 4.11 -5.35 -1.26 -0.91 119.36 120.78 1pm7 n ILE 88 Ca 0.09 -1.29 -0.45 0.00 -0.27 0.00 0.00 62.75 60.83 1pm7 n ILE 88 Cb 0.47 -0.03 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 1pm7 n ILE 88 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1pm7 s ARG 89 N -2.21 3.79 0.35 6.28 0.52 -1.26 -3.98 118.95 122.44 1pm7 s ARG 89 Ca 0.53 -2.37 -0.26 0.00 -0.52 0.00 0.00 55.73 53.11 1pm7 s ARG 89 Cb 0.37 -4.73 -0.13 0.00 0.52 0.00 0.00 34.95 30.98 1pm7 s ARG 89 CO 0.21 -1.53 0.94 0.39 0.02 0.00 0.00 175.30 175.34 1pm7 n GLU 90 N 4.93 1.23 0.00 3.54 1.02 -0.62 -1.56 120.64 129.18 1pm7 n GLU 90 Ca 0.23 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1pm7 n GLU 90 Cb 0.46 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1pm7 n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pm7 n GLY 91 N 1.29 3.18 3.77 0.62 0.00 -1.26 -1.21 105.19 111.58 1pm7 n GLY 91 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1pm7 n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pm7 s SER 92 N -0.09 6.74 0.00 1.61 0.15 -0.60 -4.93 113.70 116.58 1pm7 s SER 92 Ca 0.00 2.64 0.14 0.00 0.70 0.00 0.00 55.95 59.43 1pm7 s SER 92 Cb 0.00 -2.64 0.64 0.00 -1.71 0.00 0.00 66.02 62.31 1pm7 s SER 92 CO 0.00 -0.55 1.45 -0.81 1.20 0.00 0.00 173.24 174.53 1pm7 n PRO 93 N 0.71 0.05 -0.70 5.44 -0.04 -1.26 -1.53 135.00 137.67 1pm7 n PRO 93 Ca 0.01 0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.69 1pm7 n PRO 93 Cb 0.42 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.60 1pm7 n PRO 93 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1pm7 n THR 94 N -1.45 2.48 -1.75 0.52 -2.24 -1.26 -5.03 114.28 105.54 1pm7 n THR 94 Ca 0.04 -2.50 -0.42 0.00 -2.27 0.00 0.00 64.05 58.90 1pm7 n THR 94 Cb 0.16 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 1pm7 n THR 94 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pm7 s PHE 95 N -3.13 2.08 0.00 4.78 5.36 -0.58 -1.64 117.98 124.85 1pm7 s PHE 95 Ca 0.44 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.39 1pm7 s PHE 95 Cb 0.39 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 1pm7 s PHE 95 CO 0.02 -4.77 0.00 0.41 -1.46 0.00 0.00 175.22 169.42 1pm7 n GLY 96 N 4.23 0.82 3.89 13.12 0.00 -0.09 -5.03 105.19 122.14 1pm7 n GLY 96 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1pm7 n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pm7 s ARG 97 N -0.66 3.70 0.10 1.61 1.81 -0.65 -4.78 118.95 120.08 1pm7 s ARG 97 Ca 0.00 0.17 0.02 0.00 -1.72 0.00 0.00 55.73 54.20 1pm7 s ARG 97 Cb 0.00 -2.58 -0.04 0.00 -0.45 0.00 0.00 34.95 31.87 1pm7 s ARG 97 CO 0.00 0.17 -0.07 1.67 -0.68 0.00 0.00 175.30 176.39 1pm7 s TRP 98 N -2.10 0.90 0.08 -0.53 1.48 -1.26 -1.16 118.94 116.35 1pm7 s TRP 98 Ca 0.46 -0.88 -0.04 0.00 -1.06 0.00 0.00 56.10 54.58 1pm7 s TRP 98 Cb -0.11 -0.52 -0.02 0.00 -1.16 0.00 0.00 33.47 31.66 1pm7 s TRP 98 CO 0.29 -0.13 0.08 0.34 -4.06 0.00 0.00 176.95 173.46 1pm7 s ASP 99 N -2.97 0.31 0.22 -2.66 -1.08 -0.88 -4.83 116.67 104.76 1pm7 s ASP 99 Ca 0.11 -0.90 0.10 0.00 -0.52 0.00 0.00 52.55 51.34 1pm7 s ASP 99 Cb 0.04 0.28 -0.05 0.00 -1.46 0.00 0.00 42.92 41.74 1pm7 s ASP 99 CO -0.04 -0.68 -0.18 -0.94 0.52 0.00 0.00 175.17 173.84 1pm7 s SER 100 N -2.92 3.02 0.03 -0.34 1.04 -1.26 -1.15 113.70 112.11 1pm7 s SER 100 Ca 0.09 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.57 1pm7 s SER 100 Cb 0.06 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 1pm7 s SER 100 CO -0.08 -0.04 -0.05 0.54 0.98 0.00 0.00 173.24 174.59 1pm7 s VAL 101 N -2.44 0.34 -0.40 5.02 0.11 -0.06 -4.99 120.40 117.98 1pm7 s VAL 101 Ca 0.23 -0.91 -0.19 0.00 -2.93 0.00 0.00 61.98 58.18 1pm7 s VAL 101 Cb -0.04 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1pm7 s VAL 101 CO 0.10 -0.38 0.55 -0.22 -3.33 0.00 0.00 175.10 171.82 1pm7 s LEU 102 N -1.37 4.52 -0.27 2.54 2.96 -1.26 -1.58 118.68 124.22 1pm7 s LEU 102 Ca -0.11 -0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 53.39 1pm7 s LEU 102 Cb -0.09 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1pm7 s LEU 102 CO -0.00 -0.62 0.27 -0.76 -1.32 0.00 0.00 176.35 173.92 1pm7 s LEU 103 N 2.50 4.03 0.28 -0.68 1.43 -0.33 -4.66 118.68 121.25 1pm7 s LEU 103 Ca 0.19 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1pm7 s LEU 103 Cb -0.15 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1pm7 s LEU 103 CO 0.16 -0.11 0.31 1.51 0.23 0.00 0.00 176.35 178.45 1pm7 s ASP 104 N 1.68 0.72 -0.11 2.29 1.47 -1.26 -0.79 116.67 120.67 1pm7 s ASP 104 Ca 0.11 -1.45 0.06 0.00 1.18 0.00 0.00 52.55 52.44 1pm7 s ASP 104 Cb -0.16 0.53 0.35 0.00 -0.34 0.00 0.00 42.92 43.30 1pm7 s ASP 104 CO 0.10 -1.06 1.06 -0.90 0.68 0.00 0.00 175.17 175.06 1pm7 n ASP 105 N -0.92 3.05 -0.04 2.11 5.75 -1.06 -2.13 116.55 123.31 1pm7 n ASP 105 Ca 0.03 -2.42 -0.06 0.00 -0.01 0.00 0.00 54.79 52.32 1pm7 n ASP 105 Cb 0.63 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 40.12 1pm7 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pm7 n GLN 106 N 0.23 0.35 0.09 0.11 1.13 -1.26 -4.77 117.38 113.25 1pm7 n GLN 106 Ca 0.13 0.14 0.03 0.00 -1.94 0.00 0.00 57.00 55.36 1pm7 n GLN 106 Cb 0.69 -1.11 -0.02 0.00 0.11 0.00 0.00 30.24 29.91 1pm7 n GLN 106 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1pm7 h ASP 107 N -0.65 0.00 -5.10 1.08 3.32 -1.96 -3.49 116.42 109.62 1pm7 h ASP 107 Ca -0.01 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 1pm7 h ASP 107 Cb 0.66 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.32 1pm7 h ASP 107 CO -0.00 0.45 -0.61 0.54 -1.72 0.00 0.00 179.24 177.90 1pm7 n ARG 108 N -3.00 -6.60 -1.20 3.56 1.74 -0.91 -4.69 116.66 105.58 1pm7 n ARG 108 Ca -0.03 0.78 -0.29 0.00 -0.77 0.00 0.00 57.85 57.54 1pm7 n ARG 108 Cb 0.75 -5.59 0.19 0.00 -1.02 0.00 0.00 32.46 26.79 1pm7 n ARG 108 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pm7 s ARG 109 N -6.05 -0.05 0.02 5.56 0.52 -1.26 -4.50 118.95 113.19 1pm7 s ARG 109 Ca 0.47 0.27 0.01 0.00 -0.52 0.00 0.00 55.73 55.96 1pm7 s ARG 109 Cb -0.21 -1.70 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 1pm7 s ARG 109 CO 0.58 -3.00 -0.05 0.99 0.02 0.00 0.00 175.30 173.84 1pm7 s THR 110 N -3.04 0.30 -0.15 0.02 2.01 0.35 -4.36 115.64 110.78 1pm7 s THR 110 Ca 0.67 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 1pm7 s THR 110 Cb -0.15 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1pm7 s THR 110 CO 0.57 -0.29 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.65 1pm7 s ILE 111 N -1.02 3.87 -0.20 1.82 2.07 -0.52 0.11 121.20 127.33 1pm7 s ILE 111 Ca -0.09 -0.37 -0.10 0.00 -1.41 0.00 0.00 60.65 58.68 1pm7 s ILE 111 Cb -0.07 -2.69 -0.05 0.00 0.13 0.00 0.00 42.46 39.78 1pm7 s ILE 111 CO -0.00 0.50 0.15 -0.47 -1.91 0.00 0.00 174.94 173.21 1pm7 s TYR 112 N 0.29 3.41 -0.27 3.50 5.04 0.14 -0.69 117.35 128.77 1pm7 s TYR 112 Ca -0.04 0.36 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 1pm7 s TYR 112 Cb -0.14 -2.19 0.07 0.00 0.35 0.00 0.00 41.96 40.06 1pm7 s TYR 112 CO 0.03 0.27 -0.03 0.08 -1.34 0.00 0.00 175.55 174.56 1pm7 s VAL 113 N 0.41 1.78 0.86 3.14 1.01 0.91 -1.42 120.40 127.10 1pm7 s VAL 113 Ca 0.09 -1.59 -0.15 0.00 0.00 0.00 0.00 61.98 60.33 1pm7 s VAL 113 Cb -0.11 -2.09 0.20 0.00 0.00 0.00 0.00 36.38 34.38 1pm7 s VAL 113 CO -0.01 -0.26 1.05 -1.54 0.00 0.00 0.00 175.10 174.34 1pm7 n SER 114 N 4.54 -0.43 -4.73 3.32 3.41 -0.77 -1.38 113.62 117.58 1pm7 n SER 114 Ca -0.08 -1.31 -0.40 0.00 -0.26 0.00 0.00 58.87 56.82 1pm7 n SER 114 Cb 0.43 -0.84 0.02 0.00 -0.26 0.00 0.00 64.21 63.56 1pm7 n SER 114 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pm7 n GLU 115 N -3.58 1.97 -1.26 4.33 4.71 -1.26 -3.09 120.64 122.46 1pm7 n GLU 115 Ca 0.13 0.70 -0.09 0.00 -0.01 0.00 0.00 57.16 57.90 1pm7 n GLU 115 Cb 0.48 -2.50 -0.04 0.00 -1.01 0.00 0.00 31.44 28.37 1pm7 n GLU 115 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pm7 n GLY 116 N 0.74 1.05 3.76 0.62 0.00 -1.26 -5.01 105.19 105.08 1pm7 n GLY 116 Ca 0.07 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1pm7 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pm7 s LEU 117 N -2.02 3.53 -0.00 0.99 1.43 -1.18 -4.43 118.68 117.00 1pm7 s LEU 117 Ca 0.00 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1pm7 s LEU 117 Cb 0.00 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1pm7 s LEU 117 CO 0.00 -0.10 0.14 0.00 0.23 0.00 0.00 176.35 176.61 1pm7 s ALA 118 N -2.25 3.80 0.01 4.21 0.00 -0.79 -4.54 121.76 122.19 1pm7 s ALA 118 Ca 0.34 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 1pm7 s ALA 118 Cb -0.06 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1pm7 s ALA 118 CO 0.23 0.73 -0.01 -1.58 0.00 0.00 0.00 175.76 175.12 1pm7 s HIS 119 N -1.27 0.15 0.16 0.00 2.46 -0.82 -0.22 115.29 115.75 1pm7 s HIS 119 Ca 0.26 -0.31 -0.24 0.00 0.47 0.00 0.00 55.06 55.24 1pm7 s HIS 119 Cb -0.12 -0.11 0.06 0.00 -0.13 0.00 0.00 32.58 32.27 1pm7 s HIS 119 CO 0.17 -0.12 0.86 0.20 -2.47 0.00 0.00 174.74 173.39 1pm7 s GLY 120 N -0.87 -0.26 -0.01 1.59 0.00 -0.29 -1.66 107.32 105.83 1pm7 s GLY 120 Ca -0.10 0.17 -0.19 0.00 0.00 0.00 0.00 44.72 44.60 1pm7 s GLY 120 CO -0.01 0.04 0.42 -0.11 0.00 0.00 0.00 173.10 173.44 1pm7 s PHE 121 N -3.45 -0.31 -0.19 1.90 -0.12 -0.54 0.13 117.98 115.39 1pm7 s PHE 121 Ca 0.10 0.46 -0.02 0.00 -0.05 0.00 0.00 56.93 57.42 1pm7 s PHE 121 Cb -0.02 0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 1pm7 s PHE 121 CO 0.01 -0.48 -0.09 -1.17 -0.05 0.00 0.00 175.22 173.44 1pm7 s LEU 122 N -1.43 2.74 0.38 -1.99 2.96 -0.39 -1.59 118.68 119.37 1pm7 s LEU 122 Ca -0.11 -0.41 -0.26 0.00 -0.22 0.00 0.00 54.13 53.13 1pm7 s LEU 122 Cb -0.03 -1.67 -0.09 0.00 0.50 0.00 0.00 46.19 44.90 1pm7 s LEU 122 CO 0.04 0.03 1.15 0.00 -1.32 0.00 0.00 176.35 176.26 1pm7 s ALA 123 N 1.15 3.18 -1.04 5.97 0.00 -0.70 -1.07 121.76 129.25 1pm7 s ALA 123 Ca 0.01 0.94 0.09 0.00 0.00 0.00 0.00 51.96 53.00 1pm7 s ALA 123 Cb -0.14 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.69 1pm7 s ALA 123 CO -0.02 -0.46 0.81 1.28 0.00 0.00 0.00 175.76 177.37 1pm7 n LEU 124 N 0.20 1.82 -3.63 0.00 4.77 0.32 -2.38 117.00 118.10 1pm7 n LEU 124 Ca 0.04 -1.10 -0.15 0.00 -0.03 0.00 0.00 56.01 54.76 1pm7 n LEU 124 Cb 0.46 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1pm7 n LEU 124 CO 0.51 0.37 0.24 -1.10 -1.33 0.00 0.00 177.39 176.08 1pm7 s GLN 125 N -0.74 0.89 0.75 3.23 -0.21 -1.25 -4.84 119.66 117.48 1pm7 s GLN 125 Ca 0.11 -0.01 -0.14 0.00 0.02 0.00 0.00 55.36 55.34 1pm7 s GLN 125 Cb 0.07 0.41 0.05 0.00 1.00 0.00 0.00 33.01 34.54 1pm7 s GLN 125 CO 0.11 -0.27 1.19 -0.51 -2.12 0.00 0.00 175.29 173.68 1pm7 s ASP 126 N -1.37 4.11 -1.37 5.90 1.01 -1.26 -3.42 116.67 120.26 1pm7 s ASP 126 Ca -0.11 2.28 -0.00 0.00 0.71 0.00 0.00 52.55 55.42 1pm7 s ASP 126 Cb -0.02 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 1pm7 s ASP 126 CO 0.06 -2.32 0.50 -3.20 0.21 0.00 0.00 175.17 170.42 1pm7 n ASN 127 N -2.94 -0.59 -4.50 0.27 4.05 -1.13 -4.69 115.26 105.73 1pm7 n ASN 127 Ca 0.13 -0.96 -0.43 0.00 0.45 0.00 0.00 54.58 53.77 1pm7 n ASN 127 Cb 0.51 -3.33 -0.06 0.00 1.23 0.00 0.00 39.78 38.13 1pm7 n ASN 127 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1pm7 s SER 128 N -4.36 6.30 -0.25 1.20 0.01 -0.76 -3.72 113.70 112.12 1pm7 s SER 128 Ca 0.01 -0.50 -0.13 0.00 1.31 0.00 0.00 55.95 56.64 1pm7 s SER 128 Cb -0.00 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1pm7 s SER 128 CO 0.87 -0.92 0.26 -0.89 0.41 0.00 0.00 173.24 172.97 1pm7 s THR 129 N 3.03 5.27 -0.14 1.44 2.01 -0.50 -0.36 115.64 126.40 1pm7 s THR 129 Ca 0.22 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 1pm7 s THR 129 Cb -0.15 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1pm7 s THR 129 CO 0.17 0.26 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.57 1pm7 s VAL 130 N 1.54 3.33 -0.03 3.82 1.01 0.52 -1.48 120.40 129.11 1pm7 s VAL 130 Ca 0.11 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1pm7 s VAL 130 Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1pm7 s VAL 130 CO 0.08 0.52 -0.24 -0.32 0.00 0.00 0.00 175.10 175.14 1pm7 s MET 131 N 0.31 2.25 -0.13 2.72 0.00 0.80 -1.22 119.30 124.04 1pm7 s MET 131 Ca -0.08 -0.89 -0.09 0.00 0.00 0.00 0.00 55.69 54.63 1pm7 s MET 131 Cb -0.15 -2.12 0.04 0.00 0.00 0.00 0.00 34.83 32.60 1pm7 s MET 131 CO 0.05 0.54 0.33 1.52 0.00 0.00 0.00 175.02 177.46 1pm7 s TYR 132 N -0.56 -0.41 0.37 4.11 -0.85 0.07 -1.36 117.35 118.72 1pm7 s TYR 132 Ca 0.08 0.95 -0.23 0.00 -0.52 0.00 0.00 57.07 57.35 1pm7 s TYR 132 Cb -0.11 0.14 -0.10 0.00 0.38 0.00 0.00 41.96 42.27 1pm7 s TYR 132 CO -0.00 -0.23 0.93 -0.51 -1.52 0.00 0.00 175.55 174.23 1pm7 s LEU 133 N 0.72 4.16 -0.01 -3.49 1.43 -0.43 -0.99 118.68 120.07 1pm7 s LEU 133 Ca -0.04 1.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.82 1pm7 s LEU 133 Cb -0.06 -4.23 -0.00 0.00 0.03 0.00 0.00 46.19 41.93 1pm7 s LEU 133 CO -0.05 -0.19 -0.07 0.00 0.23 0.00 0.00 176.35 176.27 1pm7 n SER 135 N 3.05 0.76 -4.07 0.00 3.41 -0.57 -0.50 113.62 115.71 1pm7 n SER 135 Ca -0.15 0.60 -0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1pm7 n SER 135 Cb 0.57 -0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 63.61 1pm7 n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pm7 s ALA 136 N -3.16 0.62 0.60 7.33 0.00 -1.26 -4.39 121.76 121.50 1pm7 s ALA 136 Ca 0.09 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 1pm7 s ALA 136 Cb 0.12 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1pm7 s ALA 136 CO 0.54 -0.01 1.15 -1.21 0.00 0.00 0.00 175.76 176.23 1pm7 s GLU 137 N -1.66 3.04 0.21 0.00 2.02 -1.26 -4.53 118.70 116.52 1pm7 s GLU 137 Ca -0.09 1.63 -0.32 0.00 0.02 0.00 0.00 54.97 56.21 1pm7 s GLU 137 Cb -0.10 -1.96 -0.13 0.00 0.10 0.00 0.00 34.13 32.05 1pm7 s GLU 137 CO 0.00 -1.10 1.63 0.98 0.02 0.00 0.00 175.26 176.79 1pm7 n TYR 138 N -1.72 2.57 -3.73 1.61 9.36 -1.26 -4.98 117.16 119.01 1pm7 n TYR 138 Ca 0.12 0.18 -0.29 0.00 3.32 0.00 0.00 57.90 61.23 1pm7 n TYR 138 Cb 0.51 -2.60 -0.15 0.00 -0.63 0.00 0.00 39.34 36.46 1pm7 n TYR 138 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1pm7 s ASN 139 N 0.89 3.65 0.39 2.98 3.04 -1.26 -5.01 114.94 119.62 1pm7 s ASN 139 Ca 0.74 -1.34 0.08 0.00 0.04 0.00 0.00 52.86 52.38 1pm7 s ASN 139 Cb -0.57 -0.75 0.85 0.00 -1.54 0.00 0.00 41.25 39.24 1pm7 s ASN 139 CO 0.38 -0.38 1.99 1.55 -3.04 0.00 0.00 177.10 177.61 1pm7 h PRO 140 N 8.16 0.59 0.00 0.43 0.13 -1.93 -1.62 132.00 137.76 1pm7 h PRO 140 Ca -0.15 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.91 1pm7 h PRO 140 Cb 1.05 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1pm7 h PRO 140 CO 0.43 0.39 -0.17 0.37 -0.23 0.00 0.00 178.00 178.79 1pm7 h GLN 141 N 0.61 0.00 -0.00 0.86 4.15 -2.02 -3.11 115.11 115.60 1pm7 h GLN 141 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1pm7 h GLN 141 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1pm7 h GLN 141 CO -0.07 0.17 0.00 0.54 -1.93 0.00 0.00 178.83 177.54 1pm7 n ARG 142 N -3.48 1.84 -3.83 1.69 1.74 -0.71 -5.00 116.66 108.91 1pm7 n ARG 142 Ca -0.01 -1.21 -0.36 0.00 -0.77 0.00 0.00 57.85 55.50 1pm7 n ARG 142 Cb 0.34 -1.00 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 1pm7 n ARG 142 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1pm7 s GLU 143 N -0.71 3.51 0.20 5.56 2.02 -0.69 -1.45 118.70 127.14 1pm7 s GLU 143 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 1pm7 s GLU 143 Cb 0.00 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 1pm7 s GLU 143 CO 0.00 0.72 0.11 -1.01 0.02 0.00 0.00 175.26 175.10 1pm7 s HIS 144 N -1.17 1.17 0.05 1.61 3.76 -0.31 -4.96 115.29 115.45 1pm7 s HIS 144 Ca 0.22 -1.33 0.04 0.00 -0.15 0.00 0.00 55.06 53.83 1pm7 s HIS 144 Cb -0.13 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 32.94 1pm7 s HIS 144 CO 0.11 -0.57 -0.11 0.99 -0.85 0.00 0.00 174.74 174.31 1pm7 s THR 145 N -4.08 0.81 -0.06 1.30 2.01 -1.26 -2.09 115.64 112.26 1pm7 s THR 145 Ca 0.37 -1.17 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1pm7 s THR 145 Cb 0.07 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.76 1pm7 s THR 145 CO 0.11 -0.30 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.93 1pm7 s ILE 146 N -1.30 1.52 0.18 1.82 1.01 -0.24 -4.28 121.20 119.91 1pm7 s ILE 146 Ca -0.06 -0.74 -0.33 0.00 0.00 0.00 0.00 60.65 59.52 1pm7 s ILE 146 Cb -0.10 -1.33 -0.13 0.00 0.01 0.00 0.00 42.46 40.91 1pm7 s ILE 146 CO 0.01 0.44 1.60 0.00 0.00 0.00 0.00 174.94 176.99 1pm7 h ALA 148 N 6.00 1.40 -0.32 0.00 0.00 -1.84 -2.37 119.26 122.12 1pm7 h ALA 148 Ca -0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1pm7 h ALA 148 Cb 1.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pm7 h ALA 148 CO 0.89 0.18 0.00 0.25 0.00 0.00 0.00 179.25 180.58 1pm7 n THR 149 N -3.85 2.39 -1.57 0.00 -2.24 -1.26 -4.65 114.28 103.11 1pm7 n THR 149 Ca -0.02 -1.80 -0.48 0.00 -2.27 0.00 0.00 64.05 59.47 1pm7 n THR 149 Cb 0.25 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1pm7 n THR 149 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pm7 n ASP 150 N -0.30 1.18 0.14 3.42 2.03 -0.89 -4.80 116.55 117.33 1pm7 n ASP 150 Ca 0.23 1.15 0.13 0.00 0.52 0.00 0.00 54.79 56.81 1pm7 n ASP 150 Cb 0.96 -1.21 0.41 0.00 -0.72 0.00 0.00 41.12 40.57 1pm7 n ASP 150 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1pm7 h PRO 151 N 3.06 0.00 0.19 -0.67 0.13 -1.95 -0.66 132.00 132.10 1pm7 h PRO 151 Ca -0.42 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.40 1pm7 h PRO 151 Cb 1.35 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.50 1pm7 h PRO 151 CO 0.68 0.00 -1.37 1.15 -0.23 0.00 0.00 178.00 178.23 1pm7 h THR 152 N 0.00 1.39 0.07 1.56 2.02 -1.99 -3.29 112.91 112.67 1pm7 h THR 152 Ca 0.00 -2.89 -0.27 0.00 0.77 0.00 0.00 66.41 64.02 1pm7 h THR 152 Cb 0.67 2.99 0.01 0.00 -1.74 0.00 0.00 68.15 70.08 1pm7 h THR 152 CO 0.00 0.86 -1.13 -0.07 0.37 0.00 0.00 175.52 175.55 1pm7 h LEU 153 N 0.11 0.67 -2.47 2.58 3.38 -1.85 -3.48 115.31 114.25 1pm7 h LEU 153 Ca -0.20 -0.60 -0.54 0.00 0.09 0.00 0.00 57.88 56.63 1pm7 h LEU 153 Cb 2.07 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 42.54 1pm7 h LEU 153 CO 0.24 1.42 -0.94 0.00 0.09 0.00 0.00 178.44 179.25 1pm7 n ALA 154 N -2.60 -2.19 -1.80 1.53 0.00 -0.26 -4.86 120.51 110.33 1pm7 n ALA 154 Ca -0.10 -0.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.57 1pm7 n ALA 154 Cb 0.93 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1pm7 n ALA 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pm7 s VAL 155 N -3.94 2.27 -1.26 0.00 1.01 -1.26 -4.91 120.40 112.31 1pm7 s VAL 155 Ca 0.15 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 1pm7 s VAL 155 Cb -0.07 -3.15 0.16 0.00 0.00 0.00 0.00 36.38 33.33 1pm7 s VAL 155 CO 0.93 0.04 1.69 -0.67 0.00 0.00 0.00 175.10 177.09 1pm7 n ASP 156 N 2.07 5.09 -4.74 3.32 -0.08 -1.26 -4.99 116.55 115.97 1pm7 n ASP 156 Ca 0.07 -3.03 -0.41 0.00 -1.51 0.00 0.00 54.79 49.90 1pm7 n ASP 156 Cb 0.38 -1.54 -0.03 0.00 2.34 0.00 0.00 41.12 42.27 1pm7 n ASP 156 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1pm7 s TRP 157 N 1.19 3.37 0.78 -0.67 0.52 -1.26 -5.03 118.94 117.84 1pm7 s TRP 157 Ca 0.42 1.37 -0.11 0.00 0.02 0.00 0.00 56.10 57.80 1pm7 s TRP 157 Cb 0.04 -3.48 0.06 0.00 -1.15 0.00 0.00 33.47 28.94 1pm7 s TRP 157 CO 0.00 -1.40 1.08 -1.25 0.02 0.00 0.00 176.95 175.41 1pm7 s PRO 158 N -0.26 2.24 0.10 4.98 0.04 -1.26 -5.08 135.00 135.76 1pm7 s PRO 158 Ca 0.54 0.89 0.09 0.00 0.04 0.00 0.00 61.00 62.55 1pm7 s PRO 158 Cb -0.34 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1pm7 s PRO 158 CO 0.38 -1.57 -0.23 -0.51 0.04 0.00 0.00 177.00 175.11 1pm7 s LEU 159 N -5.82 2.28 0.00 -3.56 1.02 -1.26 -5.01 118.68 106.34 1pm7 s LEU 159 Ca 0.60 -0.68 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1pm7 s LEU 159 Cb -0.15 -1.01 0.00 0.00 0.02 0.00 0.00 46.19 45.05 1pm7 s LEU 159 CO 0.55 0.11 0.00 0.52 0.02 0.00 0.00 176.35 177.56 1pm7 n VAL 160 N 1.18 0.00 -1.39 -1.59 0.31 -1.24 -4.07 118.33 111.53 1pm7 n VAL 160 Ca -0.19 0.13 -0.26 0.00 -0.01 0.00 0.00 64.34 64.01 1pm7 n VAL 160 Cb 0.53 -0.68 -0.03 0.00 -0.91 0.00 0.00 33.84 32.75 1pm7 n VAL 160 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1pm7 n ASP 161 N 0.00 6.60 -2.15 4.52 9.92 -1.26 -4.56 116.55 129.62 1pm7 n ASP 161 Ca 0.00 -3.25 -0.21 0.00 -0.53 0.00 0.00 54.79 50.81 1pm7 n ASP 161 Cb 0.00 -1.17 -0.03 0.00 -0.64 0.00 0.00 41.12 39.27 1pm7 n ASP 161 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pm7 n GLY 162 N 0.59 0.28 3.74 0.44 0.00 -1.26 -4.99 105.19 104.00 1pm7 n GLY 162 Ca 0.46 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 1pm7 n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pm7 s ALA 163 N -2.94 3.51 0.66 4.61 0.00 -1.26 -5.08 121.76 121.26 1pm7 s ALA 163 Ca 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 1pm7 s ALA 163 Cb 0.00 -1.73 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 1pm7 s ALA 163 CO 0.00 0.53 1.14 0.00 0.00 0.00 0.00 175.76 177.43 1pm7 s ALA 164 N -0.71 2.42 0.54 0.00 0.00 -1.26 -3.65 121.76 119.11 1pm7 s ALA 164 Ca 0.12 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 1pm7 s ALA 164 Cb -0.12 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1pm7 s ALA 164 CO 0.02 -1.34 1.20 -1.25 0.00 0.00 0.00 175.76 174.39 1pm7 s PRO 165 N -3.90 3.29 -0.29 0.00 0.04 -1.26 -4.99 135.00 127.89 1pm7 s PRO 165 Ca 0.70 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 63.42 1pm7 s PRO 165 Cb -0.23 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1pm7 s PRO 165 CO 0.40 -0.95 0.29 0.45 0.04 0.00 0.00 177.00 177.23 1pm7 s SER 166 N -1.50 6.14 0.31 6.66 0.15 -0.18 -4.95 113.70 120.34 1pm7 s SER 166 Ca 0.72 0.06 0.08 0.00 0.70 0.00 0.00 55.95 57.51 1pm7 s SER 166 Cb -0.30 -2.17 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 1pm7 s SER 166 CO 0.34 -0.15 -0.07 -0.76 1.20 0.00 0.00 173.24 173.80 1pm7 s LEU 167 N 1.92 2.59 0.90 3.45 1.02 -1.26 -1.02 118.68 126.28 1pm7 s LEU 167 Ca 0.11 -1.21 -0.11 0.00 0.02 0.00 0.00 54.13 52.93 1pm7 s LEU 167 Cb -0.16 -0.79 0.13 0.00 0.02 0.00 0.00 46.19 45.39 1pm7 s LEU 167 CO 0.11 -0.30 1.09 -0.94 0.02 0.00 0.00 176.35 176.33 1pm7 s SER 168 N -3.53 3.44 0.12 2.29 1.04 -1.26 -4.88 113.70 110.92 1pm7 s SER 168 Ca 0.31 1.53 -0.20 0.00 0.48 0.00 0.00 55.95 58.07 1pm7 s SER 168 Cb 0.04 -2.21 -0.05 0.00 0.10 0.00 0.00 66.02 63.90 1pm7 s SER 168 CO 0.14 -2.67 1.73 0.44 0.98 0.00 0.00 173.24 173.86 1pm7 h ASP 169 N -1.57 -0.06 -0.23 7.02 3.32 -2.01 -1.74 116.42 121.17 1pm7 h ASP 169 Ca -0.49 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.49 1pm7 h ASP 169 Cb 1.28 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1pm7 h ASP 169 CO 0.54 -0.00 -0.20 -0.09 -1.72 0.00 0.00 179.24 177.76 1pm7 h ARG 170 N 0.07 0.68 -0.61 3.56 2.43 -1.96 -2.25 114.38 116.29 1pm7 h ARG 170 Ca 0.08 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 58.90 1pm7 h ARG 170 Cb 0.10 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1pm7 h ARG 170 CO -0.13 0.83 0.00 -0.44 -1.51 0.00 0.00 179.97 178.72 1pm7 h ASP 171 N 0.60 1.05 0.49 -3.80 3.32 -1.88 -2.82 116.42 113.38 1pm7 h ASP 171 Ca 0.09 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 1pm7 h ASP 171 Cb 0.68 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1pm7 h ASP 171 CO 0.05 1.09 -0.34 0.00 -1.72 0.00 0.00 179.24 178.32 1pm7 h ALA 172 N 1.01 1.25 -0.62 3.45 0.00 -1.08 -2.77 119.26 120.50 1pm7 h ALA 172 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pm7 h ALA 172 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pm7 h ALA 172 CO 0.03 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1pm7 n ALA 173 N -2.39 3.42 -1.77 0.00 0.00 -0.87 -5.00 120.51 113.90 1pm7 n ALA 173 Ca -0.01 -1.74 -0.37 0.00 0.00 0.00 0.00 53.44 51.31 1pm7 n ALA 173 Cb 0.41 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1pm7 n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pm7 s ALA 174 N -2.23 2.99 0.85 0.00 0.00 -1.04 -4.99 121.76 117.33 1pm7 s ALA 174 Ca 0.53 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1pm7 s ALA 174 Cb 0.37 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 20.18 1pm7 s ALA 174 CO 0.21 -0.74 1.09 -1.25 0.00 0.00 0.00 175.76 175.07 1pm7 s PRO 175 N -2.65 1.67 0.59 0.00 0.04 -1.26 -4.24 135.00 129.14 1pm7 s PRO 175 Ca 0.63 0.78 -0.10 0.00 0.04 0.00 0.00 61.00 62.36 1pm7 s PRO 175 Cb -0.31 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1pm7 s PRO 175 CO 0.38 -1.94 0.97 -1.12 0.04 0.00 0.00 177.00 175.32 1pm7 s SER 176 N -3.61 6.24 0.14 6.66 0.01 -1.26 -1.02 113.70 120.87 1pm7 s SER 176 Ca 0.62 1.31 -0.14 0.00 1.31 0.00 0.00 55.95 59.05 1pm7 s SER 176 Cb -0.16 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1pm7 s SER 176 CO 0.56 -0.80 1.63 0.15 0.41 0.00 0.00 173.24 175.19 1pm7 h PHE 177 N -0.18 0.79 0.00 2.43 3.57 -1.95 0.51 116.94 122.11 1pm7 h PHE 177 Ca -0.45 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 60.90 1pm7 h PHE 177 Cb 1.19 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1pm7 h PHE 177 CO 0.64 0.73 -0.21 0.93 -2.23 0.00 0.00 178.31 178.18 1pm7 h GLU 178 N 0.61 0.00 -0.42 1.11 4.39 -1.98 0.41 114.58 118.70 1pm7 h GLU 178 Ca 0.14 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1pm7 h GLU 178 Cb 0.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1pm7 h GLU 178 CO 0.01 0.21 -0.04 -0.44 -1.16 0.00 0.00 179.01 177.58 1pm7 h ASP 179 N 0.00 0.68 0.38 1.42 3.32 -1.77 -2.39 116.42 118.07 1pm7 h ASP 179 Ca -0.00 -0.17 -0.32 0.00 0.02 0.00 0.00 57.03 56.56 1pm7 h ASP 179 Cb 0.95 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.32 1pm7 h ASP 179 CO 0.03 0.78 -1.53 0.58 -1.72 0.00 0.00 179.24 177.38 1pm7 h VAL 180 N 0.66 1.18 -0.05 -1.35 2.07 0.44 -3.10 116.25 116.10 1pm7 h VAL 180 Ca 0.13 -2.75 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1pm7 h VAL 180 Cb 0.47 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1pm7 h VAL 180 CO 0.02 0.84 0.03 -0.09 0.02 0.00 0.00 177.57 178.39 1pm7 h ARG 181 N 0.09 0.07 0.00 1.57 2.43 -0.29 -2.35 114.38 115.90 1pm7 h ARG 181 Ca -0.25 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 1pm7 h ARG 181 Cb 2.06 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 1pm7 h ARG 181 CO 0.19 0.06 -0.29 0.00 -1.51 0.00 0.00 179.97 178.42 1pm7 h ALA 182 N 1.00 1.36 -0.00 2.80 0.00 -1.56 -2.40 119.26 120.46 1pm7 h ALA 182 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pm7 h ALA 182 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pm7 h ALA 182 CO -0.00 0.37 -0.06 -1.13 0.00 0.00 0.00 179.25 178.42 1pm7 n SER 183 N -3.97 0.29 0.00 0.00 3.41 -0.95 -4.92 113.62 107.47 1pm7 n SER 183 Ca -0.02 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1pm7 n SER 183 Cb 0.36 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1pm7 n SER 183 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pm7 n GLY 184 N 1.25 0.69 0.40 5.00 0.00 -0.90 -4.93 105.19 106.69 1pm7 n GLY 184 Ca 0.15 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1pm7 n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pm7 n LEU 185 N 0.00 1.37 -4.83 0.99 4.77 -1.20 -4.92 117.00 113.19 1pm7 n LEU 185 Ca 0.00 -0.42 -0.33 0.00 -0.03 0.00 0.00 56.01 55.22 1pm7 n LEU 185 Cb 0.00 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1pm7 n LEU 185 CO 0.00 0.24 0.55 -0.76 -1.33 0.00 0.00 177.39 176.09 1pm7 s LEU 186 N -2.24 4.06 0.69 2.23 1.43 -1.26 -4.86 118.68 118.72 1pm7 s LEU 186 Ca 0.31 1.54 -0.16 0.00 -1.03 0.00 0.00 54.13 54.79 1pm7 s LEU 186 Cb 0.20 -4.25 0.02 0.00 0.03 0.00 0.00 46.19 42.19 1pm7 s LEU 186 CO 0.42 -0.24 1.19 -2.84 0.23 0.00 0.00 176.35 175.11 1pm7 s PRO 187 N -2.90 2.43 -0.04 1.29 0.02 -1.26 -4.86 135.00 129.69 1pm7 s PRO 187 Ca 0.56 1.70 -0.13 0.00 0.02 0.00 0.00 61.00 63.16 1pm7 s PRO 187 Cb -0.11 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1pm7 s PRO 187 CO 0.16 -1.60 0.34 1.03 -0.33 0.00 0.00 177.00 176.61 1pm7 s ARG 188 N -3.83 3.82 0.16 5.54 0.52 -1.26 -1.58 118.95 122.32 1pm7 s ARG 188 Ca 0.73 0.27 -0.22 0.00 -0.52 0.00 0.00 55.73 56.00 1pm7 s ARG 188 Cb -0.28 -3.22 0.06 0.00 0.52 0.00 0.00 34.95 32.03 1pm7 s ARG 188 CO 0.42 0.69 1.62 2.35 0.02 0.00 0.00 175.30 180.40 1pm7 h TRP 189 N 4.87 -0.72 -1.00 -0.53 -0.00 -1.24 -2.22 115.95 115.12 1pm7 h TRP 189 Ca -0.52 0.05 0.07 0.00 -0.00 0.00 0.00 58.89 58.48 1pm7 h TRP 189 Cb 1.22 0.37 -0.07 0.00 -0.00 0.00 0.00 29.16 30.68 1pm7 h TRP 189 CO 0.72 -0.34 0.65 0.93 -0.00 0.00 0.00 178.44 180.39 1pm7 h GLU 190 N -0.23 1.13 0.00 2.65 4.39 -1.92 -2.51 114.58 118.09 1pm7 h GLU 190 Ca 0.17 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 1pm7 h GLU 190 Cb 0.49 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1pm7 h GLU 190 CO -0.47 0.75 -0.69 -0.56 -1.16 0.00 0.00 179.01 176.87 1pm7 h GLN 191 N 1.17 0.00 -0.24 2.33 3.07 -1.91 -2.54 115.11 116.98 1pm7 h GLN 191 Ca 0.43 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 59.04 1pm7 h GLN 191 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.73 1pm7 h GLN 191 CO -0.17 0.35 -0.35 1.79 0.09 0.00 0.00 178.83 180.54 1pm7 h THR 192 N 0.00 1.31 -0.28 1.86 1.35 -1.15 -2.30 112.91 113.71 1pm7 h THR 192 Ca -0.04 -1.54 -0.09 0.00 -0.55 0.00 0.00 66.41 64.19 1pm7 h THR 192 Cb 1.35 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 69.48 1pm7 h THR 192 CO 0.05 0.49 -0.21 1.56 -0.25 0.00 0.00 175.52 177.16 1pm7 h GLN 193 N 0.37 0.51 -0.23 4.72 1.08 -1.49 0.67 115.11 120.74 1pm7 h GLN 193 Ca 0.03 -0.18 -0.17 0.00 -1.45 0.00 0.00 58.65 56.87 1pm7 h GLN 193 Cb 0.93 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1pm7 h GLN 193 CO 0.08 0.69 -0.55 -0.09 -0.95 0.00 0.00 178.83 178.02 1pm7 h ARG 194 N 0.46 0.70 -0.22 1.46 2.43 -1.45 0.38 114.38 118.14 1pm7 h ARG 194 Ca 0.07 -0.44 -0.12 0.00 -0.81 0.00 0.00 59.98 58.68 1pm7 h ARG 194 Cb 0.62 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1pm7 h ARG 194 CO 0.04 1.06 -0.37 0.35 -1.51 0.00 0.00 179.97 179.54 1pm7 h PHE 195 N 0.54 0.57 0.00 2.20 3.57 -1.07 -2.34 116.94 120.40 1pm7 h PHE 195 Ca 0.01 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 1pm7 h PHE 195 Cb 1.12 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1pm7 h PHE 195 CO 0.06 0.79 -0.21 0.82 -2.23 0.00 0.00 178.31 177.54 1pm7 h ILE 196 N 0.41 0.09 0.00 1.41 2.04 -0.81 -3.28 117.51 117.37 1pm7 h ILE 196 Ca 0.04 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.77 1pm7 h ILE 196 Cb 0.84 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1pm7 h ILE 196 CO 0.07 0.05 0.00 1.23 0.00 0.00 0.00 178.15 179.50 1pm7 h GLY 197 N 3.95 0.00 -1.37 5.37 0.00 0.32 -3.36 103.07 107.98 1pm7 h GLY 197 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1pm7 h GLY 197 CO 0.01 0.00 0.30 1.85 0.00 0.00 0.00 176.54 178.70 1pm7 s GLU 198 N -3.65 1.90 0.00 4.80 2.12 -1.14 -5.05 118.70 117.68 1pm7 s GLU 198 Ca 0.00 1.36 0.00 0.00 0.36 0.00 0.00 54.97 56.69 1pm7 s GLU 198 Cb 0.09 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.64 1pm7 s GLU 198 CO 0.44 -1.94 0.00 -1.33 -0.54 0.00 0.00 175.26 171.90