#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn0 s LYS 2 N 0.00 4.36 0.02 -2.82 2.20 -1.26 -5.00 119.74 117.23 1pn0 s LYS 2 Ca 0.00 0.64 0.04 0.00 -0.36 0.00 0.00 55.97 56.29 1pn0 s LYS 2 Cb 0.00 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1pn0 s LYS 2 CO 0.00 0.17 -0.09 0.71 -0.36 0.00 0.00 175.35 175.78 1pn0 s TYR 3 N 0.51 2.80 0.17 4.03 2.02 -1.26 -1.44 117.35 124.19 1pn0 s TYR 3 Ca 0.31 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.89 1pn0 s TYR 3 Cb -0.16 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1pn0 s TYR 3 CO 0.14 0.35 0.12 -1.54 -1.57 0.00 0.00 175.55 173.04 1pn0 s SER 4 N -1.48 0.20 -0.08 2.29 1.04 -0.40 -4.97 113.70 110.31 1pn0 s SER 4 Ca 0.17 -1.30 -0.08 0.00 0.48 0.00 0.00 55.95 55.22 1pn0 s SER 4 Cb -0.11 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1pn0 s SER 4 CO 0.07 -0.81 0.22 -0.70 0.98 0.00 0.00 173.24 173.01 1pn0 s GLU 5 N -4.11 0.27 0.33 4.02 2.12 -1.26 -0.73 118.70 119.35 1pn0 s GLU 5 Ca 0.32 0.29 -0.14 0.00 0.36 0.00 0.00 54.97 55.80 1pn0 s GLU 5 Cb 0.07 0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.62 1pn0 s GLU 5 CO 0.08 -0.04 0.66 -1.54 -0.54 0.00 0.00 175.26 173.89 1pn0 s SER 6 N 0.06 0.12 0.06 -1.70 1.04 -0.15 -4.95 113.70 108.18 1pn0 s SER 6 Ca -0.01 -1.07 0.06 0.00 0.48 0.00 0.00 55.95 55.42 1pn0 s SER 6 Cb -0.02 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 1pn0 s SER 6 CO 0.00 -1.45 -0.17 -0.31 0.98 0.00 0.00 173.24 172.29 1pn0 s TYR 7 N -3.07 1.43 0.14 5.02 1.51 -1.26 -1.09 117.35 120.03 1pn0 s TYR 7 Ca 0.19 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.68 1pn0 s TYR 7 Cb -0.04 -0.82 0.04 0.00 -0.11 0.00 0.00 41.96 41.03 1pn0 s TYR 7 CO 0.12 0.09 0.43 0.00 -1.11 0.00 0.00 175.55 175.08 1pn0 h ASP 9 N 2.32 0.41 -3.61 0.00 3.32 -0.95 -2.33 116.42 115.57 1pn0 h ASP 9 Ca -0.33 -0.88 -0.33 0.00 0.02 0.00 0.00 57.03 55.51 1pn0 h ASP 9 Cb 1.26 -0.13 -0.32 0.00 0.22 0.00 0.00 39.33 40.36 1pn0 h ASP 9 CO 0.45 1.54 -0.75 -0.69 -1.72 0.00 0.00 179.24 178.07 1pn0 s VAL 10 N -2.46 0.21 -0.21 -1.35 1.01 -0.94 -1.44 120.40 115.23 1pn0 s VAL 10 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1pn0 s VAL 10 Cb 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 1pn0 s VAL 10 CO 0.79 0.12 -0.08 -0.22 0.00 0.00 0.00 175.10 175.71 1pn0 s LEU 11 N 0.63 2.71 -0.28 3.92 2.96 -0.42 -0.72 118.68 127.48 1pn0 s LEU 11 Ca -0.06 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 1pn0 s LEU 11 Cb -0.09 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 1pn0 s LEU 11 CO -0.01 -0.00 0.18 -0.63 -1.32 0.00 0.00 176.35 174.56 1pn0 s ILE 12 N 1.36 5.23 -0.45 6.68 1.01 0.76 -0.98 121.20 134.80 1pn0 s ILE 12 Ca 0.05 0.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.66 1pn0 s ILE 12 Cb -0.14 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 38.89 1pn0 s ILE 12 CO -0.05 0.26 0.48 -0.69 0.00 0.00 0.00 174.94 174.94 1pn0 s VAL 13 N 1.73 5.05 0.00 2.92 1.01 -0.03 -1.10 120.40 129.99 1pn0 s VAL 13 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1pn0 s VAL 13 Cb -0.16 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1pn0 s VAL 13 CO 0.10 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.25 1pn0 n GLY 14 N 5.14 2.88 2.33 4.51 0.00 0.50 -0.08 105.19 120.48 1pn0 n GLY 14 Ca -0.08 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.33 1pn0 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn0 n ALA 15 N 1.36 4.73 -1.73 4.61 0.00 -1.23 -4.04 120.51 124.21 1pn0 n ALA 15 Ca 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.55 1pn0 n ALA 15 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1pn0 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn0 n GLY 16 N -0.55 0.17 0.29 0.00 0.00 -1.26 -4.65 105.19 99.18 1pn0 n GLY 16 Ca 0.36 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.61 1pn0 n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pn0 h PRO 17 N 0.00 0.42 0.00 1.61 0.11 -1.94 0.65 132.00 132.84 1pn0 h PRO 17 Ca 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1pn0 h PRO 17 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1pn0 h PRO 17 CO 0.00 0.28 -0.00 0.00 -0.21 0.00 0.00 178.00 178.07 1pn0 h ALA 18 N 1.59 -0.00 -0.34 -0.75 0.00 -1.89 -1.43 119.26 116.43 1pn0 h ALA 18 Ca 0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 1pn0 h ALA 18 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1pn0 h ALA 18 CO -0.44 -0.47 -0.00 0.78 0.00 0.00 0.00 179.25 179.12 1pn0 h GLY 19 N -0.07 0.66 1.02 0.00 0.00 -1.55 -1.19 103.07 101.93 1pn0 h GLY 19 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1pn0 h GLY 19 CO 0.00 0.45 0.46 1.41 0.00 0.00 0.00 176.54 178.86 1pn0 h LEU 20 N 0.42 1.02 -0.65 3.11 3.38 -0.87 0.03 115.31 121.76 1pn0 h LEU 20 Ca 0.10 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1pn0 h LEU 20 Cb 0.45 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1pn0 h LEU 20 CO 0.02 0.82 0.26 -0.03 0.09 0.00 0.00 178.44 179.60 1pn0 h MET 21 N 1.15 0.96 -0.53 1.13 4.05 -1.05 0.16 114.93 120.80 1pn0 h MET 21 Ca 0.29 -0.17 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 1pn0 h MET 21 Cb 0.02 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 1pn0 h MET 21 CO -0.05 0.81 0.30 0.00 0.23 0.00 0.00 176.91 178.19 1pn0 h ALA 22 N 1.11 0.68 -0.55 0.39 0.00 -0.66 0.71 119.26 120.93 1pn0 h ALA 22 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1pn0 h ALA 22 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1pn0 h ALA 22 CO -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 179.25 179.12 1pn0 h ALA 23 N 1.25 0.75 -0.27 0.00 0.00 -0.50 -0.56 119.26 119.94 1pn0 h ALA 23 Ca 0.22 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pn0 h ALA 23 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pn0 h ALA 23 CO -0.12 0.65 0.15 -0.09 0.00 0.00 0.00 179.25 179.84 1pn0 h ARG 24 N 0.91 0.37 -0.39 0.00 9.65 -0.34 0.81 114.38 125.39 1pn0 h ARG 24 Ca 0.14 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1pn0 h ARG 24 Cb 0.66 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 1pn0 h ARG 24 CO 0.05 0.31 0.14 0.28 2.80 0.00 0.00 179.97 183.54 1pn0 h VAL 25 N 0.32 1.20 0.00 0.20 2.07 -0.71 -2.90 116.25 116.43 1pn0 h VAL 25 Ca 0.09 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1pn0 h VAL 25 Cb 0.04 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1pn0 h VAL 25 CO -0.02 0.23 -0.22 -0.07 0.02 0.00 0.00 177.57 177.51 1pn0 h LEU 26 N 0.48 0.00 -1.02 2.57 3.38 -0.91 -3.02 115.31 116.78 1pn0 h LEU 26 Ca 0.13 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.28 1pn0 h LEU 26 Cb 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.86 1pn0 h LEU 26 CO -0.01 0.22 0.61 0.28 0.09 0.00 0.00 178.44 179.63 1pn0 h SER 27 N 0.00 0.79 -0.83 -0.43 0.02 -0.62 -0.36 113.55 112.13 1pn0 h SER 27 Ca -0.00 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1pn0 h SER 27 Cb 0.61 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1pn0 h SER 27 CO 0.03 0.28 0.47 -0.08 -1.14 0.00 0.00 176.83 176.40 1pn0 h GLU 28 N 0.77 1.14 -0.14 3.45 4.57 -1.64 -0.81 114.58 121.91 1pn0 h GLU 28 Ca 0.57 -0.12 -0.16 0.00 -1.18 0.00 0.00 59.36 58.48 1pn0 h GLU 28 Cb 0.89 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1pn0 h GLU 28 CO -0.37 0.82 -0.59 1.88 -1.18 0.00 0.00 179.01 179.57 1pn0 h TYR 29 N 1.14 0.59 -0.64 0.92 0.05 -1.26 -2.40 116.97 115.37 1pn0 h TYR 29 Ca 0.29 -0.22 -0.09 0.00 0.05 0.00 0.00 58.73 58.77 1pn0 h TYR 29 Cb -0.01 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 1pn0 h TYR 29 CO 0.00 0.93 0.06 0.28 -1.05 0.00 0.00 178.16 178.38 1pn0 h VAL 30 N 0.35 1.26 -0.82 -2.88 2.07 -1.06 0.19 116.25 115.36 1pn0 h VAL 30 Ca -0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1pn0 h VAL 30 Cb 1.12 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1pn0 h VAL 30 CO 0.10 0.40 0.49 -0.09 0.02 0.00 0.00 177.57 178.50 1pn0 h ARG 31 N 1.00 1.11 -0.09 1.57 2.43 -0.92 -1.57 114.38 117.90 1pn0 h ARG 31 Ca 0.19 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 1pn0 h ARG 31 Cb 0.49 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1pn0 h ARG 31 CO 0.02 0.78 -0.59 1.96 -1.51 0.00 0.00 179.97 180.62 1pn0 h GLN 32 N 1.13 0.31 -2.51 0.20 4.20 -0.98 -3.38 115.11 114.07 1pn0 h GLN 32 Ca 0.29 -0.21 -0.59 0.00 0.06 0.00 0.00 58.65 58.20 1pn0 h GLN 32 Cb -0.05 0.03 -0.39 0.00 0.30 0.00 0.00 27.48 27.38 1pn0 h GLN 32 CO -0.06 0.81 -0.90 0.15 -0.67 0.00 0.00 178.83 178.16 1pn0 s LYS 33 N -3.81 1.05 0.29 1.46 -0.14 0.01 -5.00 119.74 113.60 1pn0 s LYS 33 Ca -0.05 -2.13 0.20 0.00 -1.36 0.00 0.00 55.97 52.63 1pn0 s LYS 33 Cb 0.12 -1.68 1.06 0.00 -1.68 0.00 0.00 37.83 35.65 1pn0 s LYS 33 CO 0.81 -1.34 1.62 -2.30 -0.76 0.00 0.00 175.35 173.38 1pn0 n PRO 34 N 2.96 0.14 0.25 -1.68 -0.02 -0.62 -0.97 135.00 135.05 1pn0 n PRO 34 Ca 0.25 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.44 1pn0 n PRO 34 Cb 0.44 -1.91 0.67 0.00 -0.02 0.00 0.00 33.50 32.68 1pn0 n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1pn0 h ASP 35 N 0.00 0.00 -3.70 2.55 3.32 -1.95 -3.44 116.42 113.20 1pn0 h ASP 35 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1pn0 h ASP 35 Cb 0.06 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.71 1pn0 h ASP 35 CO 0.00 0.14 0.83 -0.76 -1.72 0.00 0.00 179.24 177.74 1pn0 s LEU 36 N -7.20 4.32 -0.26 1.55 1.43 -0.15 -4.99 118.68 113.38 1pn0 s LEU 36 Ca -0.02 3.03 0.03 0.00 -1.03 0.00 0.00 54.13 56.14 1pn0 s LEU 36 Cb 0.13 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 42.75 1pn0 s LEU 36 CO 0.60 -0.91 -0.10 -0.75 0.23 0.00 0.00 176.35 175.41 1pn0 s LYS 37 N -1.48 2.24 -0.17 1.70 2.47 -1.26 -4.95 119.74 118.28 1pn0 s LYS 37 Ca 0.57 -1.35 -0.00 0.00 -1.56 0.00 0.00 55.97 53.63 1pn0 s LYS 37 Cb -0.47 -2.90 0.00 0.00 -1.46 0.00 0.00 37.83 33.00 1pn0 s LYS 37 CO 0.58 -0.58 -0.15 0.08 0.16 0.00 0.00 175.35 175.44 1pn0 s VAL 38 N 1.10 2.60 0.16 4.02 1.01 -1.26 -0.30 120.40 127.73 1pn0 s VAL 38 Ca -0.09 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1pn0 s VAL 38 Cb -0.20 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1pn0 s VAL 38 CO -0.05 0.51 -0.19 -0.13 0.00 0.00 0.00 175.10 175.24 1pn0 s ARG 39 N 1.07 1.73 -0.02 2.72 0.52 0.10 -4.79 118.95 120.28 1pn0 s ARG 39 Ca -0.00 -1.32 -0.00 0.00 -0.52 0.00 0.00 55.73 53.88 1pn0 s ARG 39 Cb -0.14 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.33 1pn0 s ARG 39 CO -0.04 0.44 0.03 -1.50 0.02 0.00 0.00 175.30 174.25 1pn0 s ILE 40 N -1.42 -0.05 0.28 1.52 2.07 -1.26 -0.17 121.20 122.16 1pn0 s ILE 40 Ca 0.20 0.23 0.08 0.00 -1.41 0.00 0.00 60.65 59.76 1pn0 s ILE 40 Cb -0.09 -0.10 -0.06 0.00 0.13 0.00 0.00 42.46 42.35 1pn0 s ILE 40 CO 0.11 0.10 -0.11 0.27 -1.91 0.00 0.00 174.94 173.40 1pn0 s ILE 41 N 1.18 1.95 -0.09 2.00 -4.36 -0.26 -0.80 121.20 120.83 1pn0 s ILE 41 Ca -0.08 -2.21 -0.14 0.00 -0.26 0.00 0.00 60.65 57.96 1pn0 s ILE 41 Cb -0.13 -2.38 0.03 0.00 1.25 0.00 0.00 42.46 41.23 1pn0 s ILE 41 CO -0.03 -0.36 0.35 -0.62 0.24 0.00 0.00 174.94 174.52 1pn0 s ASP 42 N -3.47 -0.32 0.00 4.36 -1.08 -0.67 -0.37 116.67 115.12 1pn0 s ASP 42 Ca 0.29 0.52 0.28 0.00 -0.52 0.00 0.00 52.55 53.11 1pn0 s ASP 42 Cb 0.01 0.60 0.98 0.00 -1.46 0.00 0.00 42.92 43.04 1pn0 s ASP 42 CO 0.12 -0.24 1.73 2.29 0.52 0.00 0.00 175.17 179.60 1pn0 n LYS 43 N 2.32 0.14 -3.42 4.34 2.85 -1.10 -1.05 118.16 122.24 1pn0 n LYS 43 Ca -0.16 -0.05 -0.38 0.00 -1.05 0.00 0.00 58.31 56.67 1pn0 n LYS 43 Cb 0.57 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.39 1pn0 n LYS 43 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1pn0 s ARG 44 N -2.89 4.07 0.47 -1.58 3.52 -1.26 -4.62 118.95 116.65 1pn0 s ARG 44 Ca 0.16 0.49 0.14 0.00 -0.13 0.00 0.00 55.73 56.39 1pn0 s ARG 44 Cb 0.19 -3.27 1.11 0.00 -1.56 0.00 0.00 34.95 31.42 1pn0 s ARG 44 CO 0.58 0.57 2.06 0.77 -0.81 0.00 0.00 175.30 178.47 1pn0 h SER 45 N 5.08 0.23 -4.81 -2.12 0.02 -1.87 -3.39 113.55 106.68 1pn0 h SER 45 Ca -0.49 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.20 1pn0 h SER 45 Cb 1.21 -0.05 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 1pn0 h SER 45 CO 0.65 0.15 -0.65 0.42 -1.14 0.00 0.00 176.83 176.26 1pn0 s THR 46 N -5.26 0.47 1.12 -2.27 -4.23 -1.26 -4.62 115.64 99.59 1pn0 s THR 46 Ca -0.07 -1.96 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 1pn0 s THR 46 Cb 0.18 -2.17 0.26 0.00 1.34 0.00 0.00 72.50 72.11 1pn0 s THR 46 CO 0.72 -0.40 1.05 -1.59 -0.54 0.00 0.00 174.62 173.85 1pn0 s LYS 47 N -3.98 -0.58 0.45 3.99 -2.85 -1.26 -5.01 119.74 110.50 1pn0 s LYS 47 Ca 0.26 0.79 -0.22 0.00 -1.00 0.00 0.00 55.97 55.80 1pn0 s LYS 47 Cb 0.07 -1.60 -0.09 0.00 -2.06 0.00 0.00 37.83 34.15 1pn0 s LYS 47 CO 0.05 -3.48 1.04 0.08 0.10 0.00 0.00 175.35 173.13 1pn0 s VAL 48 N -2.58 3.77 -0.00 1.79 1.01 -1.26 -4.98 120.40 118.15 1pn0 s VAL 48 Ca 0.68 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1pn0 s VAL 48 Cb -0.23 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1pn0 s VAL 48 CO 0.63 -0.13 0.02 -1.22 0.00 0.00 0.00 175.10 174.39 1pn0 n TYR 49 N -0.55 0.00 -3.71 5.22 4.01 -1.26 -4.24 117.16 116.62 1pn0 n TYR 49 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 1pn0 n TYR 49 Cb 0.51 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.46 1pn0 n TYR 49 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1pn0 s ASN 50 N -2.11 -0.21 0.69 7.72 0.01 -1.25 -4.58 114.94 115.21 1pn0 s ASN 50 Ca -0.00 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1pn0 s ASN 50 Cb 0.00 0.38 0.00 0.00 0.41 0.00 0.00 41.25 42.05 1pn0 s ASN 50 CO 0.03 -0.61 0.00 0.61 -1.51 0.00 0.00 177.10 175.62 1pn0 n GLY 51 N 0.66 0.72 7.00 0.66 0.00 -1.26 -4.76 105.19 108.20 1pn0 n GLY 51 Ca -0.19 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1pn0 n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pn0 n GLN 52 N 1.04 0.00 -1.70 1.61 6.02 -1.26 -2.67 117.38 120.42 1pn0 n GLN 52 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1pn0 n GLN 52 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1pn0 n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pn0 n ALA 53 N 8.48 1.26 -1.24 -1.58 0.00 -1.26 -4.72 120.51 121.45 1pn0 n ALA 53 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1pn0 n ALA 53 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1pn0 n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pn0 n ASP 54 N 0.14 0.00 -4.66 0.00 5.68 -1.26 -0.41 116.55 116.04 1pn0 n ASP 54 Ca 0.07 -1.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.01 1pn0 n ASP 54 Cb 0.40 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.29 1pn0 n ASP 54 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1pn0 s GLY 55 N 0.00 1.95 -0.21 6.12 0.00 -1.26 -0.54 107.32 113.38 1pn0 s GLY 55 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1pn0 s GLY 55 CO 0.00 0.11 -0.12 1.08 0.00 0.00 0.00 173.10 174.17 1pn0 s LEU 56 N 0.43 2.59 0.68 0.66 1.43 0.12 -4.28 118.68 120.30 1pn0 s LEU 56 Ca 0.05 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.12 1pn0 s LEU 56 Cb -0.12 -1.36 0.08 0.00 0.03 0.00 0.00 46.19 44.82 1pn0 s LEU 56 CO -0.00 -0.14 0.95 -1.10 0.23 0.00 0.00 176.35 176.29 1pn0 s GLN 57 N 1.30 2.02 0.14 1.70 -1.52 -1.26 -1.50 119.66 120.53 1pn0 s GLN 57 Ca -0.02 -0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 52.35 1pn0 s GLN 57 Cb -0.17 -2.31 -0.05 0.00 -0.22 0.00 0.00 33.01 30.26 1pn0 s GLN 57 CO -0.08 -1.22 1.57 0.00 -0.25 0.00 0.00 175.29 175.30 1pn0 h ARG 59 N -0.40 0.61 -0.71 0.00 9.65 -1.56 -0.72 114.38 121.25 1pn0 h ARG 59 Ca 0.10 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1pn0 h ARG 59 Cb 0.61 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 1pn0 h ARG 59 CO -0.55 0.63 0.40 1.15 2.80 0.00 0.00 179.97 184.40 1pn0 h THR 60 N 0.58 1.21 -0.37 0.20 2.02 -1.62 -0.67 112.91 114.27 1pn0 h THR 60 Ca 0.12 -0.52 -0.14 0.00 0.77 0.00 0.00 66.41 66.64 1pn0 h THR 60 Cb 0.36 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1pn0 h THR 60 CO 0.01 0.23 -0.34 -0.07 0.37 0.00 0.00 175.52 175.73 1pn0 h LEU 61 N 0.97 0.88 -0.75 2.58 3.38 -0.65 0.23 115.31 121.95 1pn0 h LEU 61 Ca 0.25 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1pn0 h LEU 61 Cb 0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1pn0 h LEU 61 CO -0.04 1.13 0.46 -0.33 0.09 0.00 0.00 178.44 179.75 1pn0 h GLU 62 N 0.70 0.83 -0.34 1.13 5.08 -0.74 0.07 114.58 121.30 1pn0 h GLU 62 Ca 0.07 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1pn0 h GLU 62 Cb 0.90 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1pn0 h GLU 62 CO 0.08 0.55 -0.29 0.77 -1.00 0.00 0.00 179.01 179.12 1pn0 h SER 63 N 0.85 0.84 -0.90 1.42 0.02 -0.62 -2.64 113.55 112.52 1pn0 h SER 63 Ca 0.32 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1pn0 h SER 63 Cb 0.12 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1pn0 h SER 63 CO -0.15 1.12 0.58 -0.07 -1.14 0.00 0.00 176.83 177.16 1pn0 h LEU 64 N 0.58 1.05 -0.54 5.07 3.38 -0.22 -2.21 115.31 122.42 1pn0 h LEU 64 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pn0 h LEU 64 Cb 0.86 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1pn0 h LEU 64 CO 0.07 0.77 0.34 0.50 0.09 0.00 0.00 178.44 180.22 1pn0 h LYS 65 N 1.22 0.72 0.00 1.13 1.63 -0.87 0.29 116.57 120.70 1pn0 h LYS 65 Ca 0.33 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1pn0 h LYS 65 Cb -0.11 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.36 1pn0 h LYS 65 CO -0.07 0.50 0.00 0.09 -3.45 0.00 0.00 179.45 176.52 1pn0 n ASN 66 N -4.69 0.00 -0.74 4.20 5.03 -0.87 -1.24 115.26 116.95 1pn0 n ASN 66 Ca 0.03 0.43 0.09 0.00 0.87 0.00 0.00 54.58 56.00 1pn0 n ASN 66 Cb 0.04 -0.46 0.10 0.00 -1.02 0.00 0.00 39.78 38.43 1pn0 n ASN 66 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1pn0 n LEU 67 N -1.46 2.59 -0.15 3.41 4.77 -0.32 -0.29 117.00 125.55 1pn0 n LEU 67 Ca 0.03 -1.15 -0.02 0.00 -0.03 0.00 0.00 56.01 54.84 1pn0 n LEU 67 Cb 0.11 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1pn0 n LEU 67 CO 0.09 0.49 -0.02 0.61 -1.33 0.00 0.00 177.39 177.24 1pn0 n GLY 68 N 0.99 0.47 0.00 -0.72 0.00 -0.38 -4.93 105.19 100.63 1pn0 n GLY 68 Ca 0.11 -0.97 0.03 0.00 0.00 0.00 0.00 46.02 45.20 1pn0 n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pn0 n LEU 69 N -0.22 0.15 -0.01 0.99 4.77 -0.06 -4.76 117.00 117.87 1pn0 n LEU 69 Ca -0.02 -0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 55.58 1pn0 n LEU 69 Cb 0.15 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1pn0 n LEU 69 CO 0.03 0.04 0.80 0.00 -1.33 0.00 0.00 177.39 176.92 1pn0 h ALA 70 N 0.73 0.09 -0.90 -1.18 0.00 -1.81 -2.87 119.26 113.31 1pn0 h ALA 70 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1pn0 h ALA 70 Cb 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1pn0 h ALA 70 CO 0.00 -0.31 0.50 -0.44 0.00 0.00 0.00 179.25 179.00 1pn0 h ASP 71 N -0.08 1.12 -0.56 0.00 3.32 -1.91 0.21 116.42 118.53 1pn0 h ASP 71 Ca 0.02 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1pn0 h ASP 71 Cb 0.20 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1pn0 h ASP 71 CO -0.00 0.89 0.00 0.11 -1.72 0.00 0.00 179.24 178.52 1pn0 h LYS 72 N 1.26 0.99 -0.36 3.56 1.57 -1.87 -0.87 116.57 120.86 1pn0 h LYS 72 Ca 0.32 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1pn0 h LYS 72 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1pn0 h LYS 72 CO -0.05 0.99 0.05 0.82 -0.57 0.00 0.00 179.45 180.69 1pn0 h ILE 73 N 0.87 1.24 0.00 1.86 2.04 -1.13 -2.99 117.51 119.40 1pn0 h ILE 73 Ca 0.16 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1pn0 h ILE 73 Cb 0.54 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1pn0 h ILE 73 CO 0.03 0.29 -0.13 -0.07 0.00 0.00 0.00 178.15 178.27 1pn0 h LEU 74 N 0.44 0.00 -1.70 1.44 3.38 -0.33 -0.98 115.31 117.57 1pn0 h LEU 74 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pn0 h LEU 74 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1pn0 h LEU 74 CO 0.01 0.13 0.00 0.77 0.09 0.00 0.00 178.44 179.44 1pn0 h SER 75 N 0.00 0.00 0.00 -0.43 4.64 -1.00 -3.24 113.55 113.52 1pn0 h SER 75 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1pn0 h SER 75 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1pn0 h SER 75 CO 0.02 0.00 -1.12 -0.62 -0.87 0.00 0.00 176.83 174.23 1pn0 n GLU 76 N -2.65 3.20 -1.45 4.77 1.02 -0.64 -5.09 120.64 119.81 1pn0 n GLU 76 Ca -0.01 -0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.83 1pn0 n GLU 76 Cb 0.14 -1.05 0.09 0.00 -0.02 0.00 0.00 31.44 30.61 1pn0 n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pn0 s ALA 77 N -2.06 2.24 -0.12 0.62 0.00 -0.47 -4.72 121.76 117.26 1pn0 s ALA 77 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 1pn0 s ALA 77 Cb 0.01 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 1pn0 s ALA 77 CO 0.08 -1.71 -0.11 1.21 0.00 0.00 0.00 175.76 175.22 1pn0 s ASN 78 N -3.70 4.17 -0.44 0.00 2.47 -0.37 -4.88 114.94 112.18 1pn0 s ASN 78 Ca 0.61 -0.27 -0.18 0.00 0.42 0.00 0.00 52.86 53.44 1pn0 s ASN 78 Cb -0.15 -1.54 0.03 0.00 -1.45 0.00 0.00 41.25 38.14 1pn0 s ASN 78 CO 0.55 0.19 0.51 -0.62 -3.72 0.00 0.00 177.10 174.02 1pn0 s ASP 79 N 0.19 6.22 0.55 -4.21 -1.08 -1.26 -1.17 116.67 115.91 1pn0 s ASP 79 Ca -0.07 -0.68 0.29 0.00 -0.52 0.00 0.00 52.55 51.57 1pn0 s ASP 79 Cb -0.15 -2.25 1.58 0.00 -1.46 0.00 0.00 42.92 40.64 1pn0 s ASP 79 CO 0.05 -0.68 2.12 0.24 0.52 0.00 0.00 175.17 177.41 1pn0 h MET 80 N 8.81 0.00 0.00 4.34 2.86 -1.85 -3.46 114.93 125.64 1pn0 h MET 80 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1pn0 h MET 80 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1pn0 h MET 80 CO 0.85 0.08 0.00 0.43 1.06 0.00 0.00 176.91 179.33 1pn0 n SER 81 N -3.60 0.00 -4.25 1.22 7.64 -1.26 -4.06 113.62 109.32 1pn0 n SER 81 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.62 1pn0 n SER 81 Cb 0.20 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.27 1pn0 n SER 81 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1pn0 s THR 82 N 0.00 1.61 -0.28 0.44 2.01 -1.26 -1.44 115.64 116.71 1pn0 s THR 82 Ca 0.00 -1.27 -0.05 0.00 0.31 0.00 0.00 61.69 60.68 1pn0 s THR 82 Cb 0.00 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 71.10 1pn0 s THR 82 CO 0.00 0.11 0.04 -0.63 -0.69 0.00 0.00 174.62 173.45 1pn0 s ILE 83 N -0.90 3.65 -0.11 1.82 1.01 0.60 -1.83 121.20 125.43 1pn0 s ILE 83 Ca 0.06 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 1pn0 s ILE 83 Cb -0.09 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1pn0 s ILE 83 CO 0.02 0.10 0.28 0.00 0.00 0.00 0.00 174.94 175.34 1pn0 s ALA 84 N 1.44 3.69 -0.23 9.38 0.00 0.34 -1.23 121.76 135.16 1pn0 s ALA 84 Ca 0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 1pn0 s ALA 84 Cb -0.17 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 1pn0 s ALA 84 CO 0.01 0.32 0.03 -0.51 0.00 0.00 0.00 175.76 175.61 1pn0 s LEU 85 N -0.30 3.30 -0.04 0.00 1.43 -0.17 -1.30 118.68 121.60 1pn0 s LEU 85 Ca 0.18 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1pn0 s LEU 85 Cb -0.14 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1pn0 s LEU 85 CO 0.06 0.00 -0.21 -0.31 0.23 0.00 0.00 176.35 176.13 1pn0 s TYR 86 N 1.39 2.51 0.27 0.29 1.51 0.37 -1.05 117.35 122.64 1pn0 s TYR 86 Ca 0.05 -0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 55.60 1pn0 s TYR 86 Cb -0.15 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1pn0 s TYR 86 CO 0.02 0.04 0.60 0.54 -1.11 0.00 0.00 175.55 175.64 1pn0 s ASN 87 N -0.61 -0.16 0.40 2.29 2.20 -0.78 -1.95 114.94 116.32 1pn0 s ASN 87 Ca 0.09 -0.78 -0.24 0.00 -0.94 0.00 0.00 52.86 50.99 1pn0 s ASN 87 Cb -0.11 0.66 -0.09 0.00 -2.00 0.00 0.00 41.25 39.71 1pn0 s ASN 87 CO 0.00 -1.26 1.02 -2.84 -2.94 0.00 0.00 177.10 171.08 1pn0 s PRO 88 N -3.93 4.21 0.00 3.55 0.02 -1.25 -0.94 135.00 136.66 1pn0 s PRO 88 Ca 0.17 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1pn0 s PRO 88 Cb -0.03 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.99 1pn0 s PRO 88 CO 0.08 -0.08 0.00 -0.40 -0.33 0.00 0.00 177.00 176.27 1pn0 n ASP 89 N -0.12 0.00 -0.05 2.53 5.68 0.07 -4.81 116.55 119.86 1pn0 n ASP 89 Ca 0.05 -0.97 0.12 0.00 -0.50 0.00 0.00 54.79 53.49 1pn0 n ASP 89 Cb 0.50 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.01 1pn0 n ASP 89 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1pn0 h GLU 90 N 0.00 0.33 -0.57 0.11 4.81 -1.93 -0.01 114.58 117.32 1pn0 h GLU 90 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pn0 h GLU 90 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1pn0 h GLU 90 CO 0.00 0.22 0.00 0.09 -0.73 0.00 0.00 179.01 178.59 1pn0 n ASN 91 N -4.46 3.15 -0.12 1.04 3.02 -1.26 -4.91 115.26 111.72 1pn0 n ASN 91 Ca 0.09 -2.16 -0.02 0.00 -0.03 0.00 0.00 54.58 52.46 1pn0 n ASN 91 Cb 0.36 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 1pn0 n ASN 91 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pn0 n GLY 92 N 1.11 0.49 3.66 7.41 0.00 -0.02 -5.03 105.19 112.82 1pn0 n GLY 92 Ca 0.18 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 1pn0 n GLY 92 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pn0 s HIS 93 N -2.06 3.32 0.34 1.61 3.76 -1.26 -4.57 115.29 116.44 1pn0 s HIS 93 Ca 0.00 0.20 -0.28 0.00 -0.15 0.00 0.00 55.06 54.83 1pn0 s HIS 93 Cb 0.00 -2.22 -0.10 0.00 1.11 0.00 0.00 32.58 31.37 1pn0 s HIS 93 CO 0.00 0.11 1.32 0.96 -0.85 0.00 0.00 174.74 176.28 1pn0 s ILE 94 N 0.83 2.65 0.03 0.60 -4.36 -1.26 -0.75 121.20 118.94 1pn0 s ILE 94 Ca 0.07 0.65 -0.16 0.00 -0.26 0.00 0.00 60.65 60.95 1pn0 s ILE 94 Cb -0.13 -3.41 0.03 0.00 1.25 0.00 0.00 42.46 40.20 1pn0 s ILE 94 CO 0.02 0.15 0.36 0.00 0.24 0.00 0.00 174.94 175.71 1pn0 s ARG 95 N -1.87 0.84 -0.26 0.37 3.03 -0.11 -4.91 118.95 116.03 1pn0 s ARG 95 Ca 0.50 -0.38 -0.29 0.00 2.03 0.00 0.00 55.73 57.59 1pn0 s ARG 95 Cb -0.40 0.37 -0.00 0.00 -1.03 0.00 0.00 34.95 33.89 1pn0 s ARG 95 CO 0.53 -0.27 1.28 0.50 -1.13 0.00 0.00 175.30 176.21 1pn0 s ARG 96 N -2.29 4.02 -0.06 3.89 3.52 -1.26 -1.87 118.95 124.90 1pn0 s ARG 96 Ca -0.07 1.37 0.21 0.00 -0.13 0.00 0.00 55.73 57.12 1pn0 s ARG 96 Cb -0.02 -3.83 -0.33 0.00 -1.56 0.00 0.00 34.95 29.21 1pn0 s ARG 96 CO -0.01 -0.98 0.42 0.25 -0.81 0.00 0.00 175.30 174.17 1pn0 n THR 97 N 5.93 0.21 -3.68 4.11 -2.24 -0.21 -5.00 114.28 113.39 1pn0 n THR 97 Ca 0.14 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1pn0 n THR 97 Cb 0.46 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 1pn0 n THR 97 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pn0 s ASP 98 N -4.67 -0.37 -0.01 3.42 -1.08 -1.22 -5.03 116.67 107.72 1pn0 s ASP 98 Ca -0.08 -0.35 0.01 0.00 -0.52 0.00 0.00 52.55 51.61 1pn0 s ASP 98 Cb 0.13 0.65 -0.00 0.00 -1.46 0.00 0.00 42.92 42.24 1pn0 s ASP 98 CO 0.90 -1.15 -0.04 -0.13 0.52 0.00 0.00 175.17 175.26 1pn0 s ARG 99 N -3.77 0.38 0.12 4.34 0.52 -1.26 -1.00 118.95 118.27 1pn0 s ARG 99 Ca 0.07 -0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.18 1pn0 s ARG 99 Cb -0.04 -0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 1pn0 s ARG 99 CO -0.01 0.09 -0.13 0.96 0.02 0.00 0.00 175.30 176.23 1pn0 s ILE 100 N -0.04 1.23 0.34 1.52 -4.36 -0.37 -4.98 121.20 114.54 1pn0 s ILE 100 Ca 0.01 -1.71 -0.28 0.00 -0.26 0.00 0.00 60.65 58.41 1pn0 s ILE 100 Cb -0.03 -1.50 -0.10 0.00 1.25 0.00 0.00 42.46 42.09 1pn0 s ILE 100 CO -0.00 -0.46 1.23 -2.16 0.24 0.00 0.00 174.94 173.78 1pn0 s PRO 101 N -2.73 4.32 0.36 0.37 0.04 -1.26 -0.29 135.00 135.80 1pn0 s PRO 101 Ca 0.08 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.32 1pn0 s PRO 101 Cb -0.04 -2.98 0.62 0.00 0.04 0.00 0.00 34.50 32.14 1pn0 s PRO 101 CO 0.02 -0.15 1.71 0.22 0.04 0.00 0.00 177.00 178.85 1pn0 h ASP 102 N 3.25 0.00 -3.78 6.66 3.58 -1.53 -3.42 116.42 121.19 1pn0 h ASP 102 Ca -0.48 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.37 1pn0 h ASP 102 Cb 1.23 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.96 1pn0 h ASP 102 CO 0.65 0.42 -0.85 -0.89 -2.88 0.00 0.00 179.24 175.69 1pn0 s THR 103 N -3.62 1.61 0.11 2.25 2.01 -1.26 -4.86 115.64 111.88 1pn0 s THR 103 Ca -0.00 -0.80 -0.31 0.00 0.31 0.00 0.00 61.69 60.88 1pn0 s THR 103 Cb 0.11 -1.39 -0.08 0.00 0.01 0.00 0.00 72.50 71.15 1pn0 s THR 103 CO 0.70 0.46 1.45 -0.76 -0.69 0.00 0.00 174.62 175.78 1pn0 s LEU 104 N 0.12 4.36 0.16 4.42 1.43 -1.26 -4.91 118.68 123.01 1pn0 s LEU 104 Ca -0.07 2.37 -0.34 0.00 -1.03 0.00 0.00 54.13 55.06 1pn0 s LEU 104 Cb -0.13 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 42.36 1pn0 s LEU 104 CO 0.04 -0.71 1.42 -2.65 0.23 0.00 0.00 176.35 174.67 1pn0 n PRO 105 N 4.28 1.74 -0.49 1.29 -0.02 -1.26 -2.29 135.00 138.25 1pn0 n PRO 105 Ca 0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1pn0 n PRO 105 Cb 0.42 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1pn0 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pn0 n GLY 106 N 2.69 1.54 0.17 -1.23 0.00 -1.26 -4.89 105.19 102.21 1pn0 n GLY 106 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1pn0 n GLY 106 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pn0 h ILE 107 N 0.00 0.90 -2.58 -0.61 2.10 -1.84 -3.46 117.51 112.02 1pn0 h ILE 107 Ca 0.00 -1.76 0.05 0.00 1.08 0.00 0.00 64.86 64.23 1pn0 h ILE 107 Cb 0.00 2.09 -0.14 0.00 -1.09 0.00 0.00 36.82 37.68 1pn0 h ILE 107 CO 0.00 0.42 0.37 -0.55 -1.08 0.00 0.00 178.15 177.31 1pn0 s SER 108 N -6.45 -0.45 0.29 2.19 0.15 -1.26 -5.01 113.70 103.15 1pn0 s SER 108 Ca 0.01 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.92 1pn0 s SER 108 Cb 0.10 0.48 0.74 0.00 -1.71 0.00 0.00 66.02 65.63 1pn0 s SER 108 CO 0.70 -0.77 1.74 0.08 1.20 0.00 0.00 173.24 176.20 1pn0 h ARG 109 N 2.01 0.00 -5.81 5.44 0.11 -1.92 -3.43 114.38 110.78 1pn0 h ARG 109 Ca -0.27 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.17 1pn0 h ARG 109 Cb 1.27 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.29 1pn0 h ARG 109 CO 0.34 0.00 -0.38 0.71 0.10 0.00 0.00 179.97 180.74 1pn0 s TYR 110 N -3.18 3.63 0.16 4.08 2.02 -1.26 -5.11 117.35 117.69 1pn0 s TYR 110 Ca 0.09 0.66 0.03 0.00 -0.37 0.00 0.00 57.07 57.47 1pn0 s TYR 110 Cb 0.10 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 1pn0 s TYR 110 CO 0.59 0.68 0.27 -1.01 -1.57 0.00 0.00 175.55 174.51 1pn0 s HIS 111 N -1.12 3.43 0.36 2.71 3.76 -1.26 -4.73 115.29 118.45 1pn0 s HIS 111 Ca 0.21 0.09 -0.27 0.00 -0.15 0.00 0.00 55.06 54.93 1pn0 s HIS 111 Cb -0.14 -1.63 -0.12 0.00 1.11 0.00 0.00 32.58 31.80 1pn0 s HIS 111 CO 0.10 0.51 1.27 0.94 -0.85 0.00 0.00 174.74 176.71 1pn0 n GLN 112 N -0.61 2.05 -4.17 1.40 7.27 -1.26 -4.70 117.38 117.35 1pn0 n GLN 112 Ca -0.07 0.72 -0.11 0.00 0.07 0.00 0.00 57.00 57.61 1pn0 n GLN 112 Cb 0.54 -2.32 -0.10 0.00 2.41 0.00 0.00 30.24 30.77 1pn0 n GLN 112 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1pn0 s VAL 113 N -1.12 0.30 0.02 1.69 -7.23 -0.56 -4.35 120.40 109.15 1pn0 s VAL 113 Ca 0.57 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.86 1pn0 s VAL 113 Cb -0.56 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1pn0 s VAL 113 CO 0.61 -0.52 -0.14 0.68 -0.31 0.00 0.00 175.10 175.42 1pn0 s VAL 114 N -3.91 1.14 -0.29 1.32 -7.23 -0.31 -0.71 120.40 110.41 1pn0 s VAL 114 Ca 0.22 -0.87 -0.21 0.00 -1.81 0.00 0.00 61.98 59.32 1pn0 s VAL 114 Cb 0.07 -1.00 0.15 0.00 0.56 0.00 0.00 36.38 36.16 1pn0 s VAL 114 CO 0.01 0.13 1.13 -0.22 -0.31 0.00 0.00 175.10 175.84 1pn0 s LEU 115 N -0.85 -0.34 0.77 1.32 2.96 0.30 -1.24 118.68 121.61 1pn0 s LEU 115 Ca 0.03 0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 54.43 1pn0 s LEU 115 Cb -0.07 1.58 0.06 0.00 0.50 0.00 0.00 46.19 48.26 1pn0 s LEU 115 CO 0.01 -0.10 1.11 -1.38 -1.32 0.00 0.00 176.35 174.67 1pn0 s HIS 116 N 0.61 2.38 0.41 5.38 -3.43 -1.26 -4.26 115.29 115.12 1pn0 s HIS 116 Ca -0.01 1.60 0.12 0.00 -0.80 0.00 0.00 55.06 55.97 1pn0 s HIS 116 Cb -0.04 -3.15 0.96 0.00 -1.43 0.00 0.00 32.58 28.91 1pn0 s HIS 116 CO -0.11 -2.01 1.97 0.37 -2.00 0.00 0.00 174.74 172.95 1pn0 h GLN 117 N -0.98 0.48 -0.85 -0.38 4.15 -0.50 -1.79 115.11 115.23 1pn0 h GLN 117 Ca -0.44 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 58.98 1pn0 h GLN 117 Cb 1.24 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.78 1pn0 h GLN 117 CO 0.50 0.32 0.56 0.78 -1.93 0.00 0.00 178.83 179.06 1pn0 h GLY 118 N 0.50 1.21 1.24 2.39 0.00 -1.77 0.20 103.07 106.83 1pn0 h GLY 118 Ca 0.30 -0.42 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 1pn0 h GLY 118 CO -0.09 0.38 -0.63 3.21 0.00 0.00 0.00 176.54 179.41 1pn0 h ARG 119 N 1.08 0.78 -0.40 4.80 2.47 -1.63 -1.56 114.38 119.92 1pn0 h ARG 119 Ca 0.33 -0.54 -0.04 0.00 -1.26 0.00 0.00 59.98 58.47 1pn0 h ARG 119 Cb -0.01 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1pn0 h ARG 119 CO -0.09 1.16 0.08 0.82 0.56 0.00 0.00 179.97 182.50 1pn0 h ILE 120 N 0.57 1.23 -0.74 2.04 1.08 -1.23 -1.09 117.51 119.37 1pn0 h ILE 120 Ca -0.01 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.66 1pn0 h ILE 120 Cb 1.23 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.95 1pn0 h ILE 120 CO 0.13 0.28 0.48 -0.33 -0.69 0.00 0.00 178.15 178.03 1pn0 h GLU 121 N 0.50 0.95 -0.16 2.37 5.08 -0.62 -0.76 114.58 121.95 1pn0 h GLU 121 Ca 0.12 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1pn0 h GLU 121 Cb 0.33 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1pn0 h GLU 121 CO 0.00 0.63 0.01 -0.09 -1.00 0.00 0.00 179.01 178.56 1pn0 h ARG 122 N 0.98 0.07 -0.49 2.33 9.65 -0.88 0.38 114.38 126.41 1pn0 h ARG 122 Ca 0.28 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.12 1pn0 h ARG 122 Cb -0.07 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1pn0 h ARG 122 CO -0.08 0.04 0.16 0.00 2.80 0.00 0.00 179.97 182.90 1pn0 h ARG 123 N 0.07 0.75 -0.45 0.20 2.47 -0.76 -1.32 114.38 115.35 1pn0 h ARG 123 Ca 0.07 -0.16 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 1pn0 h ARG 123 Cb 0.08 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 1pn0 h ARG 123 CO -0.11 0.70 -0.25 0.82 0.56 0.00 0.00 179.97 181.69 1pn0 h ILE 124 N 0.65 1.27 -0.62 2.04 2.04 -0.95 -1.88 117.51 120.05 1pn0 h ILE 124 Ca 0.16 -1.41 0.06 0.00 1.00 0.00 0.00 64.86 64.67 1pn0 h ILE 124 Cb 0.26 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1pn0 h ILE 124 CO -0.01 0.48 0.33 -0.07 0.00 0.00 0.00 178.15 178.88 1pn0 h LEU 125 N 0.80 0.47 -0.66 1.44 3.38 -0.74 -0.55 115.31 119.46 1pn0 h LEU 125 Ca 0.10 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1pn0 h LEU 125 Cb 0.82 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1pn0 h LEU 125 CO 0.07 0.30 0.25 0.44 0.09 0.00 0.00 178.44 179.59 1pn0 h ASP 126 N 0.61 0.92 -0.66 -0.43 3.32 -1.00 -1.57 116.42 117.61 1pn0 h ASP 126 Ca 0.28 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1pn0 h ASP 126 Cb 0.20 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1pn0 h ASP 126 CO -0.19 0.85 0.16 -1.28 -1.72 0.00 0.00 179.24 177.06 1pn0 h SER 127 N 0.93 1.01 -0.51 6.45 0.87 -0.95 -1.33 113.55 120.02 1pn0 h SER 127 Ca 0.22 -0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1pn0 h SER 127 Cb 0.23 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 1pn0 h SER 127 CO -0.01 0.98 0.24 0.40 -0.53 0.00 0.00 176.83 177.90 1pn0 h ILE 128 N 0.99 0.92 -0.43 2.23 2.04 -0.90 0.13 117.51 122.48 1pn0 h ILE 128 Ca 0.21 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1pn0 h ILE 128 Cb 0.37 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1pn0 h ILE 128 CO 0.00 0.08 0.28 0.00 0.00 0.00 0.00 178.15 178.52 1pn0 h ALA 129 N 1.29 0.55 0.24 1.87 0.00 -0.93 -0.22 119.26 122.07 1pn0 h ALA 129 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1pn0 h ALA 129 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1pn0 h ALA 129 CO -0.18 -0.01 -0.12 1.49 0.00 0.00 0.00 179.25 180.43 1pn0 h GLU 130 N 0.57 -0.32 -0.43 0.00 4.81 -0.81 -0.85 114.58 117.56 1pn0 h GLU 130 Ca 0.16 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1pn0 h GLU 130 Cb -0.05 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1pn0 h GLU 130 CO -0.04 -0.06 -0.21 0.82 -0.73 0.00 0.00 179.01 178.78 1pn0 h ILE 131 N -0.54 1.27 -0.01 2.32 1.08 -0.69 -2.85 117.51 118.10 1pn0 h ILE 131 Ca -0.03 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 1pn0 h ILE 131 Cb 0.40 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1pn0 h ILE 131 CO 0.05 0.46 -0.26 -1.54 -0.69 0.00 0.00 178.15 176.17 1pn0 n SER 132 N -4.11 0.98 -3.72 1.72 3.41 -0.10 -4.63 113.62 107.17 1pn0 n SER 132 Ca 0.00 -0.85 -0.24 0.00 -0.26 0.00 0.00 58.87 57.52 1pn0 n SER 132 Cb 0.44 0.13 0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1pn0 n SER 132 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pn0 n ASP 133 N -0.70 -2.33 -0.87 4.04 2.03 -0.53 -0.86 116.55 117.33 1pn0 n ASP 133 Ca 0.12 -0.90 -0.07 0.00 0.52 0.00 0.00 54.79 54.45 1pn0 n ASP 133 Cb 0.35 -3.74 -0.03 0.00 -0.72 0.00 0.00 41.12 36.98 1pn0 n ASP 133 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1pn0 n THR 134 N -4.21 0.00 0.53 5.18 -2.24 -0.44 -4.81 114.28 108.30 1pn0 n THR 134 Ca -0.24 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1pn0 n THR 134 Cb 0.66 -0.86 0.45 0.00 -2.10 0.00 0.00 70.33 68.48 1pn0 n THR 134 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pn0 n ARG 135 N -0.97 0.20 -4.09 -0.78 1.74 -0.04 -4.50 116.66 108.22 1pn0 n ARG 135 Ca -0.07 0.30 -0.32 0.00 -0.77 0.00 0.00 57.85 56.99 1pn0 n ARG 135 Cb 0.33 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.81 1pn0 n ARG 135 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pn0 s ILE 136 N -3.19 2.00 -0.01 0.55 1.01 -1.26 -4.87 121.20 115.43 1pn0 s ILE 136 Ca 0.08 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1pn0 s ILE 136 Cb 0.11 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1pn0 s ILE 136 CO 0.47 0.42 -0.11 -0.54 0.00 0.00 0.00 174.94 175.19 1pn0 s LYS 137 N 1.29 0.89 0.15 2.79 1.02 -1.26 -4.67 119.74 119.95 1pn0 s LYS 137 Ca 0.02 -0.39 -0.31 0.00 0.02 0.00 0.00 55.97 55.31 1pn0 s LYS 137 Cb -0.14 -0.86 -0.09 0.00 -0.52 0.00 0.00 37.83 36.22 1pn0 s LYS 137 CO -0.11 0.24 1.42 0.08 -0.92 0.00 0.00 175.35 176.06 1pn0 s VAL 138 N -0.26 3.09 -0.27 3.17 1.01 -1.26 -4.42 120.40 121.46 1pn0 s VAL 138 Ca 0.04 0.80 -0.09 0.00 0.00 0.00 0.00 61.98 62.74 1pn0 s VAL 138 Cb -0.04 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1pn0 s VAL 138 CO -0.00 0.08 0.12 -1.61 0.00 0.00 0.00 175.10 173.68 1pn0 s GLU 139 N 0.82 3.75 -0.05 2.72 2.02 0.02 -4.98 118.70 123.00 1pn0 s GLU 139 Ca 0.64 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.90 1pn0 s GLU 139 Cb -0.39 -3.47 0.07 0.00 0.10 0.00 0.00 34.13 30.44 1pn0 s GLU 139 CO 0.33 -0.20 0.65 -0.98 0.02 0.00 0.00 175.26 175.08 1pn0 s ARG 140 N 1.67 1.02 -0.18 1.61 1.70 -1.26 -1.67 118.95 121.84 1pn0 s ARG 140 Ca 0.07 0.24 -0.23 0.00 -0.47 0.00 0.00 55.73 55.33 1pn0 s ARG 140 Cb -0.16 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 1pn0 s ARG 140 CO 0.07 -0.31 0.73 -1.25 -1.08 0.00 0.00 175.30 173.45 1pn0 s PRO 141 N -1.17 4.25 0.07 3.89 0.04 -1.26 -4.11 135.00 136.72 1pn0 s PRO 141 Ca -0.11 0.82 0.06 0.00 0.04 0.00 0.00 61.00 61.81 1pn0 s PRO 141 Cb -0.01 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 1pn0 s PRO 141 CO 0.09 -0.29 -0.17 -0.51 0.04 0.00 0.00 177.00 176.17 1pn0 s LEU 142 N 2.04 2.26 -0.05 -3.56 1.02 -0.22 -1.19 118.68 118.98 1pn0 s LEU 142 Ca 0.33 -0.61 -0.04 0.00 0.02 0.00 0.00 54.13 53.84 1pn0 s LEU 142 Cb -0.16 -0.67 0.02 0.00 0.02 0.00 0.00 46.19 45.40 1pn0 s LEU 142 CO 0.11 -0.00 0.13 -0.51 0.02 0.00 0.00 176.35 176.09 1pn0 s ILE 143 N -1.15 -0.02 0.31 -0.59 2.07 -0.40 -2.71 121.20 118.71 1pn0 s ILE 143 Ca 0.02 0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 59.04 1pn0 s ILE 143 Cb -0.10 -0.20 -0.10 0.00 0.13 0.00 0.00 42.46 42.20 1pn0 s ILE 143 CO 0.03 0.03 1.19 -2.84 -1.91 0.00 0.00 174.94 171.44 1pn0 s PRO 144 N 0.48 4.46 -0.02 3.50 0.02 -1.26 -0.56 135.00 141.62 1pn0 s PRO 144 Ca -0.03 1.98 0.09 0.00 0.02 0.00 0.00 61.00 63.05 1pn0 s PRO 144 Cb -0.05 -3.08 -0.14 0.00 0.02 0.00 0.00 34.50 31.25 1pn0 s PRO 144 CO -0.02 -0.01 0.18 0.39 -0.33 0.00 0.00 177.00 177.21 1pn0 n GLU 145 N 0.91 0.49 -3.59 5.54 1.02 0.10 -4.90 120.64 120.21 1pn0 n GLU 145 Ca -0.00 -0.07 -0.16 0.00 -0.02 0.00 0.00 57.16 56.91 1pn0 n GLU 145 Cb 0.44 -1.21 -0.07 0.00 -0.02 0.00 0.00 31.44 30.58 1pn0 n GLU 145 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1pn0 s LYS 146 N -2.58 0.91 -0.04 3.49 2.20 -1.16 -4.98 119.74 117.57 1pn0 s LYS 146 Ca -0.03 0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1pn0 s LYS 146 Cb 0.05 0.44 0.03 0.00 -1.51 0.00 0.00 37.83 36.84 1pn0 s LYS 146 CO 0.37 -0.19 0.00 1.41 -0.36 0.00 0.00 175.35 176.58 1pn0 s MET 147 N -0.28 0.36 -0.07 4.03 -2.45 -1.26 -0.52 119.30 119.11 1pn0 s MET 147 Ca -0.05 0.09 0.04 0.00 -1.25 0.00 0.00 55.69 54.53 1pn0 s MET 147 Cb -0.03 -0.59 0.00 0.00 1.25 0.00 0.00 34.83 35.46 1pn0 s MET 147 CO 0.05 -0.17 -0.19 -1.21 1.05 0.00 0.00 175.02 174.54 1pn0 s GLU 148 N 1.27 2.31 -0.12 4.11 2.02 -0.26 -4.99 118.70 123.04 1pn0 s GLU 148 Ca -0.06 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.26 1pn0 s GLU 148 Cb -0.13 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.25 1pn0 s GLU 148 CO -0.02 0.19 -0.20 0.42 0.02 0.00 0.00 175.26 175.67 1pn0 s ILE 149 N 0.27 1.83 -0.60 -1.63 1.01 -1.26 -0.64 121.20 120.18 1pn0 s ILE 149 Ca -0.12 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 1pn0 s ILE 149 Cb -0.15 -1.62 0.15 0.00 0.01 0.00 0.00 42.46 40.85 1pn0 s ILE 149 CO 0.05 0.51 0.55 -0.62 0.00 0.00 0.00 174.94 175.43 1pn0 s ASP 150 N 0.75 6.28 0.54 3.58 -1.08 -0.06 -4.92 116.67 121.75 1pn0 s ASP 150 Ca -0.10 -2.02 0.30 0.00 -0.52 0.00 0.00 52.55 50.21 1pn0 s ASP 150 Cb -0.16 -2.19 1.50 0.00 -1.46 0.00 0.00 42.92 40.61 1pn0 s ASP 150 CO 0.01 -0.78 2.07 0.28 0.52 0.00 0.00 175.17 177.27 1pn0 h SER 151 N 8.58 0.00 0.59 -0.34 0.02 -1.98 -2.14 113.55 118.28 1pn0 h SER 151 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1pn0 h SER 151 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1pn0 h SER 151 CO 0.96 0.10 0.00 0.77 -1.14 0.00 0.00 176.83 177.51 1pn0 h SER 152 N 0.00 0.00 -0.50 3.07 4.64 -1.98 -2.41 113.55 116.37 1pn0 h SER 152 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pn0 h SER 152 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1pn0 h SER 152 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1pn0 n LYS 153 N -2.30 2.97 -0.18 4.77 5.02 -0.80 -4.69 118.16 122.94 1pn0 n LYS 153 Ca 0.01 -2.42 0.09 0.00 -2.02 0.00 0.00 58.31 53.97 1pn0 n LYS 153 Cb 0.19 -1.50 0.39 0.00 -0.02 0.00 0.00 35.03 34.10 1pn0 n LYS 153 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pn0 h ALA 154 N 2.95 1.81 -0.61 7.82 0.00 -1.53 -2.11 119.26 127.60 1pn0 h ALA 154 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pn0 h ALA 154 Cb 0.97 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1pn0 h ALA 154 CO 0.05 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.73 1pn0 n GLU 155 N -4.49 2.65 -3.18 0.00 -0.58 -1.26 -4.87 120.64 108.90 1pn0 n GLU 155 Ca 0.12 -2.54 -0.41 0.00 -0.42 0.00 0.00 57.16 53.91 1pn0 n GLU 155 Cb 0.32 -1.56 -0.07 0.00 -0.57 0.00 0.00 31.44 29.56 1pn0 n GLU 155 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1pn0 s ASP 156 N -1.18 6.38 0.57 1.62 -1.08 -0.79 -4.93 116.67 117.26 1pn0 s ASP 156 Ca 0.46 0.11 0.36 0.00 -0.52 0.00 0.00 52.55 52.95 1pn0 s ASP 156 Cb 0.25 -2.30 1.57 0.00 -1.46 0.00 0.00 42.92 40.98 1pn0 s ASP 156 CO 0.33 -0.51 2.06 1.55 0.52 0.00 0.00 175.17 179.12 1pn0 h PRO 157 N 8.41 0.00 -0.00 4.34 0.13 -1.89 -2.23 132.00 140.76 1pn0 h PRO 157 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1pn0 h PRO 157 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1pn0 h PRO 157 CO 0.79 0.00 -0.63 0.39 -0.23 0.00 0.00 178.00 178.33 1pn0 n GLU 158 N -3.09 0.06 -1.96 0.86 -0.58 -1.26 -4.97 120.64 109.70 1pn0 n GLU 158 Ca -0.00 -0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.40 1pn0 n GLU 158 Cb 0.26 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1pn0 n GLU 158 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pn0 s ALA 159 N -2.97 3.02 -0.67 0.62 0.00 -0.84 -5.03 121.76 115.89 1pn0 s ALA 159 Ca 0.11 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1pn0 s ALA 159 Cb 0.17 -2.98 0.16 0.00 0.00 0.00 0.00 23.12 20.47 1pn0 s ALA 159 CO 0.74 -0.93 0.45 0.71 0.00 0.00 0.00 175.76 176.73 1pn0 s TYR 160 N -3.24 3.42 -0.81 0.00 1.51 -1.26 -4.62 117.35 112.35 1pn0 s TYR 160 Ca 0.56 -3.28 0.22 0.00 -1.01 0.00 0.00 57.07 53.57 1pn0 s TYR 160 Cb -0.11 -2.66 0.90 0.00 -0.11 0.00 0.00 41.96 39.98 1pn0 s TYR 160 CO 0.52 -0.58 1.70 -2.30 -1.11 0.00 0.00 175.55 173.77 1pn0 n PRO 161 N 2.18 0.10 -3.99 -1.71 -0.02 -1.09 -4.50 135.00 125.96 1pn0 n PRO 161 Ca 0.18 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 1pn0 n PRO 161 Cb 0.35 -1.65 -0.15 0.00 -0.02 0.00 0.00 33.50 32.03 1pn0 n PRO 161 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pn0 s VAL 162 N -3.10 2.73 -0.29 -1.45 1.01 -0.80 -0.88 120.40 117.61 1pn0 s VAL 162 Ca 0.09 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1pn0 s VAL 162 Cb 0.12 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1pn0 s VAL 162 CO 0.42 0.29 0.18 -0.89 0.00 0.00 0.00 175.10 175.10 1pn0 s THR 163 N 1.33 5.14 -0.15 3.92 2.01 0.19 0.23 115.64 128.30 1pn0 s THR 163 Ca 0.01 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1pn0 s THR 163 Cb -0.16 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1pn0 s THR 163 CO -0.06 0.21 -0.05 -0.04 -0.69 0.00 0.00 174.62 173.99 1pn0 s MET 164 N 1.73 3.61 -0.26 4.92 -1.94 0.44 -1.10 119.30 126.70 1pn0 s MET 164 Ca 0.07 -0.54 -0.09 0.00 -1.71 0.00 0.00 55.69 53.42 1pn0 s MET 164 Cb -0.16 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.77 1pn0 s MET 164 CO 0.10 0.26 0.11 0.99 -0.01 0.00 0.00 175.02 176.46 1pn0 s THR 165 N 0.31 4.60 0.09 2.05 2.01 0.32 0.13 115.64 125.15 1pn0 s THR 165 Ca -0.04 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 61.91 1pn0 s THR 165 Cb -0.14 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1pn0 s THR 165 CO 0.03 0.28 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.35 1pn0 s LEU 166 N 1.65 2.89 -0.09 4.42 1.43 0.85 0.02 118.68 129.85 1pn0 s LEU 166 Ca 0.06 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 1pn0 s LEU 166 Cb -0.16 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1pn0 s LEU 166 CO 0.06 0.20 -0.23 -0.60 0.23 0.00 0.00 176.35 176.00 1pn0 s ARG 167 N -2.03 2.89 -0.14 1.70 3.52 0.27 -0.31 118.95 124.85 1pn0 s ARG 167 Ca 0.19 -0.87 -0.27 0.00 -0.13 0.00 0.00 55.73 54.66 1pn0 s ARG 167 Cb -0.11 -2.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.98 1pn0 s ARG 167 CO 0.11 0.27 0.90 0.71 -0.81 0.00 0.00 175.30 176.47 1pn0 s TYR 168 N 0.14 3.46 0.17 5.12 1.51 -0.62 -1.28 117.35 125.85 1pn0 s TYR 168 Ca -0.12 1.39 -0.05 0.00 -1.01 0.00 0.00 57.07 57.28 1pn0 s TYR 168 Cb -0.16 -3.08 -0.06 0.00 -0.11 0.00 0.00 41.96 38.56 1pn0 s TYR 168 CO 0.07 -0.23 0.41 -1.64 -1.11 0.00 0.00 175.55 173.05 1pn0 s MET 169 N 2.06 3.63 0.69 -0.62 -1.94 -0.33 -0.26 119.30 122.53 1pn0 s MET 169 Ca 0.42 -0.06 -0.11 0.00 -1.71 0.00 0.00 55.69 54.23 1pn0 s MET 169 Cb -0.17 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 33.86 1pn0 s MET 169 CO 0.14 0.42 1.08 -1.54 -0.01 0.00 0.00 175.02 175.12 1pn0 s SER 170 N -2.54 5.63 0.22 3.03 1.04 -1.26 -4.67 113.70 115.16 1pn0 s SER 170 Ca 0.42 1.20 -0.08 0.00 0.48 0.00 0.00 55.95 57.97 1pn0 s SER 170 Cb -0.12 -2.06 0.19 0.00 0.10 0.00 0.00 66.02 64.13 1pn0 s SER 170 CO 0.25 -1.23 1.85 -0.08 0.98 0.00 0.00 173.24 175.01 1pn0 h GLU 171 N -0.58 1.19 -0.63 4.02 4.81 -1.98 -2.49 114.58 118.92 1pn0 h GLU 171 Ca -0.45 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 58.72 1pn0 h GLU 171 Cb 1.24 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1pn0 h GLU 171 CO 0.63 0.86 0.41 -0.44 -0.73 0.00 0.00 179.01 179.75 1pn0 h ASP 172 N 1.20 0.53 0.83 1.04 3.32 -2.05 -2.70 116.42 118.58 1pn0 h ASP 172 Ca 0.31 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 1pn0 h ASP 172 Cb 0.01 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1pn0 h ASP 172 CO -0.05 0.34 -0.56 -0.33 -1.72 0.00 0.00 179.24 176.92 1pn0 h GLU 173 N 0.60 0.00 -6.44 3.56 5.08 -1.83 -3.44 114.58 112.11 1pn0 h GLU 173 Ca 0.27 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.09 1pn0 h GLU 173 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1pn0 h GLU 173 CO -0.08 0.56 0.49 0.45 -1.00 0.00 0.00 179.01 179.42 1pn0 s SER 174 N -6.64 7.21 -0.47 1.42 0.15 -1.02 -4.97 113.70 109.38 1pn0 s SER 174 Ca -0.00 1.84 -0.28 0.00 0.70 0.00 0.00 55.95 58.21 1pn0 s SER 174 Cb 0.11 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1pn0 s SER 174 CO 0.74 -0.39 1.10 -0.89 1.20 0.00 0.00 173.24 175.00 1pn0 s THR 175 N 1.12 4.25 0.92 6.45 2.01 -1.26 -4.91 115.64 124.22 1pn0 s THR 175 Ca 0.55 1.15 -0.12 0.00 0.31 0.00 0.00 61.69 63.58 1pn0 s THR 175 Cb -0.25 -4.58 0.14 0.00 0.01 0.00 0.00 72.50 67.82 1pn0 s THR 175 CO 0.28 -0.98 1.12 -2.84 -0.69 0.00 0.00 174.62 171.51 1pn0 s PRO 176 N 4.33 1.06 0.09 4.92 0.02 -1.26 -4.82 135.00 139.34 1pn0 s PRO 176 Ca 0.46 0.43 -0.24 0.00 0.02 0.00 0.00 61.00 61.67 1pn0 s PRO 176 Cb -0.08 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 1pn0 s PRO 176 CO 0.31 -2.28 0.74 -0.51 -0.33 0.00 0.00 177.00 174.93 1pn0 s LEU 177 N -6.14 4.50 0.25 -5.54 1.43 -1.26 -4.97 118.68 106.96 1pn0 s LEU 177 Ca 0.64 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 55.22 1pn0 s LEU 177 Cb -0.16 -3.21 0.32 0.00 0.03 0.00 0.00 46.19 43.18 1pn0 s LEU 177 CO 0.55 0.11 1.70 -0.61 0.23 0.00 0.00 176.35 178.32 1pn0 h GLN 178 N 5.11 0.63 -2.85 1.70 4.15 -1.99 -3.32 115.11 118.54 1pn0 h GLN 178 Ca -0.46 -0.23 -0.67 0.00 0.77 0.00 0.00 58.65 58.07 1pn0 h GLN 178 Cb 1.21 -0.04 -0.38 0.00 0.21 0.00 0.00 27.48 28.48 1pn0 h GLN 178 CO 0.69 0.79 -0.22 1.19 -1.93 0.00 0.00 178.83 179.34 1pn0 n PHE 179 N -4.13 3.59 -0.83 3.99 3.01 -1.26 -5.05 117.46 116.77 1pn0 n PHE 179 Ca 0.00 -3.96 0.00 0.00 1.01 0.00 0.00 57.45 54.50 1pn0 n PHE 179 Cb 0.40 -0.87 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 1pn0 n PHE 179 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pn0 n GLY 180 N 1.62 0.10 3.77 1.37 0.00 -1.25 -3.93 105.19 106.87 1pn0 n GLY 180 Ca 0.25 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 1pn0 n GLY 180 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pn0 s HIS 181 N 0.51 2.68 -0.08 1.61 2.46 -1.26 -4.83 115.29 116.38 1pn0 s HIS 181 Ca 0.00 1.35 0.04 0.00 0.47 0.00 0.00 55.06 56.92 1pn0 s HIS 181 Cb 0.00 -3.77 0.00 0.00 -0.13 0.00 0.00 32.58 28.68 1pn0 s HIS 181 CO 0.00 -2.43 -0.20 0.15 -2.47 0.00 0.00 174.74 169.79 1pn0 s LYS 182 N -2.32 2.46 0.31 2.88 1.02 -1.26 -5.11 119.74 117.73 1pn0 s LYS 182 Ca 0.58 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 55.56 1pn0 s LYS 182 Cb -0.40 -1.94 -0.11 0.00 -0.52 0.00 0.00 37.83 34.85 1pn0 s LYS 182 CO 0.52 0.17 1.56 0.99 -0.92 0.00 0.00 175.35 177.67 1pn0 s THR 183 N 0.34 2.10 0.65 2.17 2.01 -1.26 -4.98 115.64 116.66 1pn0 s THR 183 Ca -0.14 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.81 1pn0 s THR 183 Cb -0.16 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 1pn0 s THR 183 CO 0.06 0.02 1.07 -1.61 -0.69 0.00 0.00 174.62 173.47 1pn0 s GLU 184 N -0.83 3.01 0.55 4.92 0.41 -1.26 -5.03 118.70 120.47 1pn0 s GLU 184 Ca 0.61 1.19 -0.12 0.00 -0.41 0.00 0.00 54.97 56.24 1pn0 s GLU 184 Cb -0.47 -1.99 -0.05 0.00 -1.78 0.00 0.00 34.13 29.83 1pn0 s GLU 184 CO 0.51 -1.06 0.96 -0.80 -0.49 0.00 0.00 175.26 174.39 1pn0 s ASN 185 N -3.00 6.39 0.17 -0.19 0.02 -1.26 -4.96 114.94 112.11 1pn0 s ASN 185 Ca 0.63 1.39 0.00 0.00 -1.02 0.00 0.00 52.86 53.86 1pn0 s ASN 185 Cb -0.17 -2.45 0.00 0.00 0.02 0.00 0.00 41.25 38.66 1pn0 s ASN 185 CO 0.43 -0.70 0.00 0.61 0.02 0.00 0.00 177.10 177.46 1pn0 n GLY 186 N -2.17 -1.95 0.14 0.66 0.00 -1.26 -4.62 105.19 95.98 1pn0 n GLY 186 Ca 0.05 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 1pn0 n GLY 186 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pn0 h LEU 187 N 0.00 0.61 -9.86 0.99 3.38 -2.06 -3.47 115.31 104.89 1pn0 h LEU 187 Ca 0.00 -0.92 -0.53 0.00 0.09 0.00 0.00 57.88 56.52 1pn0 h LEU 187 Cb 0.07 -0.20 0.09 0.00 0.09 0.00 0.00 40.66 40.71 1pn0 h LEU 187 CO 0.00 1.69 0.82 0.12 0.09 0.00 0.00 178.44 181.15 1pn0 s PHE 188 N -2.54 2.72 -0.06 1.13 5.36 -1.26 -5.03 117.98 118.29 1pn0 s PHE 188 Ca -0.15 1.00 -0.01 0.00 -0.96 0.00 0.00 56.93 56.81 1pn0 s PHE 188 Cb 0.04 -4.01 0.03 0.00 -0.34 0.00 0.00 43.02 38.74 1pn0 s PHE 188 CO 0.86 -3.17 0.01 1.03 -1.46 0.00 0.00 175.22 172.48 1pn0 s ARG 189 N -1.25 0.53 0.89 10.12 1.81 -1.26 -4.93 118.95 124.86 1pn0 s ARG 189 Ca 0.58 0.12 -0.12 0.00 -1.72 0.00 0.00 55.73 54.59 1pn0 s ARG 189 Cb -0.46 -0.89 0.12 0.00 -0.45 0.00 0.00 34.95 33.27 1pn0 s ARG 189 CO 0.54 -0.29 1.13 -1.54 -0.68 0.00 0.00 175.30 174.47 1pn0 s SER 190 N 1.89 3.72 0.25 0.23 1.04 -1.26 -4.78 113.70 114.78 1pn0 s SER 190 Ca 0.03 1.05 -0.04 0.00 0.48 0.00 0.00 55.95 57.47 1pn0 s SER 190 Cb -0.12 -1.67 0.36 0.00 0.10 0.00 0.00 66.02 64.69 1pn0 s SER 190 CO -0.05 -2.43 1.87 0.78 0.98 0.00 0.00 173.24 174.39 1pn0 h ASN 191 N -1.41 0.93 -0.32 7.02 2.35 -2.01 -0.41 115.58 121.74 1pn0 h ASN 191 Ca -0.50 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1pn0 h ASN 191 Cb 1.32 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 1pn0 h ASN 191 CO 0.61 0.60 0.19 0.25 -1.65 0.00 0.00 177.43 177.43 1pn0 h LEU 192 N 1.07 0.38 -0.83 1.61 5.85 -2.00 -1.05 115.31 120.34 1pn0 h LEU 192 Ca 0.40 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 59.01 1pn0 h LEU 192 Cb 0.16 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1pn0 h LEU 192 CO -0.17 0.31 0.16 1.56 -0.34 0.00 0.00 178.44 179.97 1pn0 h GLN 193 N 0.41 1.04 -0.50 1.25 4.20 -1.75 -0.81 115.11 118.95 1pn0 h GLN 193 Ca 0.11 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1pn0 h GLN 193 Cb 0.00 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1pn0 h GLN 193 CO -0.02 0.91 0.26 1.15 -0.67 0.00 0.00 178.83 180.46 1pn0 h THR 194 N 0.99 1.18 -0.61 -0.54 2.02 -0.81 -1.24 112.91 113.89 1pn0 h THR 194 Ca 0.21 -0.48 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 1pn0 h THR 194 Cb 0.34 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1pn0 h THR 194 CO -0.00 0.20 0.07 -0.61 0.37 0.00 0.00 175.52 175.54 1pn0 h GLN 195 N 0.66 1.04 -0.33 6.66 5.75 -0.90 -0.68 115.11 127.30 1pn0 h GLN 195 Ca 0.17 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1pn0 h GLN 195 Cb 0.08 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 1pn0 h GLN 195 CO -0.03 0.99 0.15 0.93 -2.65 0.00 0.00 178.83 178.21 1pn0 h GLU 196 N 0.94 0.30 -0.42 1.69 4.39 -0.99 -0.12 114.58 120.38 1pn0 h GLU 196 Ca 0.18 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1pn0 h GLU 196 Cb 0.47 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1pn0 h GLU 196 CO 0.02 0.20 0.23 1.49 -1.16 0.00 0.00 179.01 179.78 1pn0 h GLU 197 N 0.31 0.59 -0.78 2.33 4.81 -0.92 -2.41 114.58 118.51 1pn0 h GLU 197 Ca 0.14 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1pn0 h GLU 197 Cb 0.08 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1pn0 h GLU 197 CO -0.12 0.48 0.32 0.93 -0.73 0.00 0.00 179.01 179.88 1pn0 h GLU 198 N 0.54 1.16 0.00 1.92 5.08 -0.95 -1.98 114.58 120.35 1pn0 h GLU 198 Ca 0.15 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1pn0 h GLU 198 Cb 0.06 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1pn0 h GLU 198 CO -0.02 0.94 0.00 -0.44 -1.00 0.00 0.00 179.01 178.49 1pn0 h ASP 199 N 1.13 0.00 0.11 1.42 3.32 -0.82 -2.97 116.42 118.61 1pn0 h ASP 199 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1pn0 h ASP 199 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1pn0 h ASP 199 CO -0.02 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.48 1pn0 n ALA 200 N -1.86 2.66 -2.81 3.45 0.00 -0.74 -4.50 120.51 116.69 1pn0 n ALA 200 Ca 0.01 -0.24 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 1pn0 n ALA 200 Cb 0.18 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 1pn0 n ALA 200 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1pn0 s ASN 201 N -2.12 6.44 -0.01 0.00 0.01 -1.12 -4.95 114.94 113.19 1pn0 s ASN 201 Ca 0.42 0.46 -0.30 0.00 -0.71 0.00 0.00 52.86 52.73 1pn0 s ASN 201 Cb 0.21 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 1pn0 s ASN 201 CO 0.39 0.22 1.23 -0.47 -1.51 0.00 0.00 177.10 176.96 1pn0 s TYR 202 N -1.38 3.23 -0.30 2.20 5.04 -1.26 -4.89 117.35 119.99 1pn0 s TYR 202 Ca 0.30 1.19 -0.03 0.00 -2.44 0.00 0.00 57.07 56.09 1pn0 s TYR 202 Cb -0.13 -3.46 0.18 0.00 0.35 0.00 0.00 41.96 38.90 1pn0 s TYR 202 CO 0.19 -1.47 0.60 0.50 -1.34 0.00 0.00 175.55 174.03 1pn0 s ARG 203 N 1.83 0.56 0.80 4.97 3.52 -1.26 -5.12 118.95 124.24 1pn0 s ARG 203 Ca 0.58 1.06 -0.11 0.00 -0.13 0.00 0.00 55.73 57.12 1pn0 s ARG 203 Cb -0.27 0.56 0.07 0.00 -1.56 0.00 0.00 34.95 33.74 1pn0 s ARG 203 CO 0.25 -0.55 1.10 -0.51 -0.81 0.00 0.00 175.30 174.78 1pn0 s LEU 204 N 2.85 2.59 0.69 -0.88 1.43 -1.26 -4.61 118.68 119.49 1pn0 s LEU 204 Ca 0.16 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.38 1pn0 s LEU 204 Cb -0.15 -3.89 -0.00 0.00 0.03 0.00 0.00 46.19 42.18 1pn0 s LEU 204 CO -0.20 -1.95 1.10 -2.65 0.23 0.00 0.00 176.35 172.87 1pn0 n PRO 205 N -3.42 0.74 -1.61 1.29 -0.02 -1.26 -4.83 135.00 125.89 1pn0 n PRO 205 Ca 0.07 0.31 -0.55 0.00 -2.02 0.00 0.00 63.50 61.31 1pn0 n PRO 205 Cb 0.56 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 1pn0 n PRO 205 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pn0 n GLU 206 N -1.88 0.98 -0.16 -0.52 -0.58 -1.26 -1.63 120.64 115.59 1pn0 n GLU 206 Ca 0.14 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1pn0 n GLU 206 Cb 0.49 -1.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1pn0 n GLU 206 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pn0 n GLY 207 N 2.81 2.49 3.90 0.62 0.00 -1.26 -5.02 105.19 108.74 1pn0 n GLY 207 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1pn0 n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pn0 s LYS 208 N -0.07 3.63 0.07 1.61 -0.14 -0.65 -5.10 119.74 119.10 1pn0 s LYS 208 Ca 0.00 0.01 0.05 0.00 -1.36 0.00 0.00 55.97 54.67 1pn0 s LYS 208 Cb 0.00 -2.64 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 1pn0 s LYS 208 CO 0.00 0.20 -0.13 -1.83 -0.76 0.00 0.00 175.35 172.83 1pn0 s GLU 209 N -3.58 0.79 0.29 1.68 -1.05 -1.26 -4.81 118.70 110.76 1pn0 s GLU 209 Ca 0.44 -0.96 -0.30 0.00 -0.15 0.00 0.00 54.97 54.00 1pn0 s GLU 209 Cb -0.11 -0.74 -0.12 0.00 -0.44 0.00 0.00 34.13 32.73 1pn0 s GLU 209 CO 0.30 0.16 1.51 0.00 0.95 0.00 0.00 175.26 178.17 1pn0 n ALA 210 N 1.20 2.03 0.00 -0.84 0.00 -1.26 -2.12 120.51 119.53 1pn0 n ALA 210 Ca -0.21 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1pn0 n ALA 210 Cb 0.55 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1pn0 n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn0 n GLY 211 N 1.84 2.06 3.77 0.00 0.00 0.64 -4.95 105.19 108.54 1pn0 n GLY 211 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1pn0 n GLY 211 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pn0 s GLU 212 N -0.97 4.30 -0.23 1.61 2.12 -0.90 -4.57 118.70 120.06 1pn0 s GLU 212 Ca 0.00 2.29 -0.04 0.00 0.36 0.00 0.00 54.97 57.58 1pn0 s GLU 212 Cb 0.00 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1pn0 s GLU 212 CO 0.00 -0.29 -0.04 0.42 -0.54 0.00 0.00 175.26 174.82 1pn0 s ILE 213 N -0.92 3.31 -0.15 -3.70 -1.09 -0.52 -1.58 121.20 116.55 1pn0 s ILE 213 Ca 0.51 -0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1pn0 s ILE 213 Cb -0.41 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 1pn0 s ILE 213 CO 0.53 0.35 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.79 1pn0 s GLU 214 N 1.45 3.44 -0.34 2.79 2.12 0.58 -1.27 118.70 127.46 1pn0 s GLU 214 Ca 0.05 -0.64 -0.19 0.00 0.36 0.00 0.00 54.97 54.54 1pn0 s GLU 214 Cb -0.15 -2.75 -0.00 0.00 0.26 0.00 0.00 34.13 31.48 1pn0 s GLU 214 CO -0.03 0.14 0.58 0.99 -0.54 0.00 0.00 175.26 176.40 1pn0 s THR 215 N 0.56 4.96 -0.24 -1.70 2.01 0.09 -0.11 115.64 121.21 1pn0 s THR 215 Ca -0.06 0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 1pn0 s THR 215 Cb -0.15 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.38 1pn0 s THR 215 CO 0.03 -0.22 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.97 1pn0 s VAL 216 N 2.55 2.78 -0.14 3.82 1.01 0.12 -0.98 120.40 129.56 1pn0 s VAL 216 Ca 0.22 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 1pn0 s VAL 216 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1pn0 s VAL 216 CO 0.13 0.23 0.83 -1.00 0.00 0.00 0.00 175.10 175.29 1pn0 s HIS 217 N 1.31 3.46 -0.00 5.22 3.76 -0.25 -0.42 115.29 128.38 1pn0 s HIS 217 Ca 0.00 1.30 0.07 0.00 -0.15 0.00 0.00 55.06 56.28 1pn0 s HIS 217 Cb -0.16 -3.00 -0.02 0.00 1.11 0.00 0.00 32.58 30.51 1pn0 s HIS 217 CO -0.05 -0.18 -0.21 0.00 -0.85 0.00 0.00 174.74 173.45 1pn0 h LYS 219 N 5.42 0.47 -3.53 0.00 1.57 -1.38 -2.08 116.57 117.03 1pn0 h LYS 219 Ca -0.40 -0.51 -0.15 0.00 -1.87 0.00 0.00 60.65 57.72 1pn0 h LYS 219 Cb 1.14 0.14 -0.21 0.00 0.08 0.00 0.00 32.23 33.38 1pn0 h LYS 219 CO 0.47 1.15 -0.51 0.71 -0.57 0.00 0.00 179.45 180.70 1pn0 s TYR 220 N -3.27 0.03 -0.02 -1.35 2.02 -0.52 -4.55 117.35 109.69 1pn0 s TYR 220 Ca -0.07 -0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 1pn0 s TYR 220 Cb 0.08 -0.05 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 1pn0 s TYR 220 CO 0.88 -0.25 -0.07 0.08 -1.57 0.00 0.00 175.55 174.61 1pn0 s VAL 221 N -1.20 0.66 -0.24 0.71 1.01 -0.55 -1.30 120.40 119.50 1pn0 s VAL 221 Ca -0.13 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1pn0 s VAL 221 Cb -0.07 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.76 1pn0 s VAL 221 CO 0.01 0.21 -0.13 -0.63 0.00 0.00 0.00 175.10 174.57 1pn0 s ILE 222 N 0.24 2.27 -0.48 2.22 1.01 -0.16 -0.61 121.20 125.68 1pn0 s ILE 222 Ca -0.03 -1.33 -0.27 0.00 0.00 0.00 0.00 60.65 59.01 1pn0 s ILE 222 Cb -0.08 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.22 1pn0 s ILE 222 CO 0.00 0.17 1.06 -0.83 0.00 0.00 0.00 174.94 175.34 1pn0 s GLY 223 N 1.19 1.35 -0.32 6.18 0.00 0.16 -0.85 107.32 115.04 1pn0 s GLY 223 Ca -0.03 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.10 1pn0 s GLY 223 CO -0.07 2.27 1.17 0.00 0.00 0.00 0.00 173.10 176.46 1pn0 n ASP 225 N -0.65 4.94 0.00 0.00 5.75 -0.95 -4.34 116.55 121.29 1pn0 n ASP 225 Ca 0.40 -3.19 0.00 0.00 -0.01 0.00 0.00 54.79 51.99 1pn0 n ASP 225 Cb 0.90 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1pn0 n ASP 225 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pn0 n GLY 226 N -0.08 -2.44 0.37 6.12 0.00 -1.26 -3.91 105.19 104.00 1pn0 n GLY 226 Ca 0.40 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 45.00 1pn0 n GLY 226 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pn0 h GLY 227 N 0.00 0.13 -3.03 -0.02 0.00 -1.93 0.37 103.07 98.60 1pn0 h GLY 227 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1pn0 h GLY 227 CO 0.00 0.02 0.08 1.42 0.00 0.00 0.00 176.54 178.06 1pn0 n HIS 228 N -4.40 1.87 -0.27 5.60 8.25 -1.26 -4.78 115.22 120.23 1pn0 n HIS 228 Ca 0.10 -0.96 -0.12 0.00 -0.26 0.00 0.00 57.72 56.48 1pn0 n HIS 228 Cb 0.56 -0.52 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 1pn0 n HIS 228 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pn0 n SER 229 N 0.00 0.17 -0.08 0.41 2.88 0.10 -4.84 113.62 112.25 1pn0 n SER 229 Ca 0.31 0.16 -0.06 0.00 -1.33 0.00 0.00 58.87 57.94 1pn0 n SER 229 Cb 1.18 -0.17 0.13 0.00 -0.75 0.00 0.00 64.21 64.59 1pn0 n SER 229 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1pn0 h TRP 230 N 1.54 0.82 0.18 0.66 7.01 -1.88 -2.12 115.95 122.17 1pn0 h TRP 230 Ca -0.04 -0.16 -0.01 0.00 2.11 0.00 0.00 58.89 60.80 1pn0 h TRP 230 Cb 0.27 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1pn0 h TRP 230 CO 0.17 0.84 -0.09 0.28 -2.79 0.00 0.00 178.44 176.86 1pn0 h VAL 231 N 0.67 0.86 -0.35 2.65 2.07 -1.95 -0.07 116.25 120.13 1pn0 h VAL 231 Ca 0.11 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1pn0 h VAL 231 Cb 0.62 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1pn0 h VAL 231 CO 0.04 0.04 0.00 -0.09 0.02 0.00 0.00 177.57 177.59 1pn0 h ARG 232 N -0.33 0.10 -0.75 1.57 2.43 -1.88 -0.74 114.38 114.79 1pn0 h ARG 232 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1pn0 h ARG 232 Cb 0.26 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1pn0 h ARG 232 CO 0.04 0.07 0.40 0.00 -1.51 0.00 0.00 179.97 178.97 1pn0 h ARG 233 N 0.10 1.04 -0.25 0.20 3.08 -1.23 -1.58 114.38 115.74 1pn0 h ARG 233 Ca 0.17 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1pn0 h ARG 233 Cb 0.24 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1pn0 h ARG 233 CO -0.29 0.76 -0.29 1.15 -1.07 0.00 0.00 179.97 180.24 1pn0 h THR 234 N 1.04 1.28 0.00 2.04 2.02 -0.30 -1.63 112.91 117.36 1pn0 h THR 234 Ca 0.26 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1pn0 h THR 234 Cb 0.03 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1pn0 h THR 234 CO -0.04 0.43 0.00 -0.07 0.37 0.00 0.00 175.52 176.20 1pn0 h LEU 235 N 0.43 0.00 0.00 2.58 3.38 -0.54 -3.47 115.31 117.69 1pn0 h LEU 235 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pn0 h LEU 235 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1pn0 h LEU 235 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1pn0 n GLY 236 N 0.23 0.41 3.52 0.83 0.00 -0.61 -5.01 105.19 104.56 1pn0 n GLY 236 Ca 0.01 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1pn0 n GLY 236 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pn0 s PHE 237 N -2.00 2.89 0.24 1.61 0.08 -1.02 -5.01 117.98 114.77 1pn0 s PHE 237 Ca 0.00 0.00 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 1pn0 s PHE 237 Cb 0.00 -3.89 -0.10 0.00 -0.57 0.00 0.00 43.02 38.46 1pn0 s PHE 237 CO 0.00 -1.19 1.47 -1.21 -0.10 0.00 0.00 175.22 174.19 1pn0 s GLU 238 N 3.59 4.25 -0.77 0.44 2.02 -1.26 -4.68 118.70 122.28 1pn0 s GLU 238 Ca 0.29 2.33 -0.26 0.00 0.02 0.00 0.00 54.97 57.35 1pn0 s GLU 238 Cb -0.13 -3.11 0.04 0.00 0.10 0.00 0.00 34.13 31.03 1pn0 s GLU 238 CO 0.20 -0.47 1.26 -1.64 0.02 0.00 0.00 175.26 174.63 1pn0 s MET 239 N -0.13 3.25 -0.19 1.61 -1.94 -1.26 -4.39 119.30 116.24 1pn0 s MET 239 Ca 0.61 -0.48 -0.24 0.00 -1.71 0.00 0.00 55.69 53.87 1pn0 s MET 239 Cb -0.43 -4.37 -0.01 0.00 2.01 0.00 0.00 34.83 32.03 1pn0 s MET 239 CO 0.42 -2.11 0.78 0.42 -0.01 0.00 0.00 175.02 174.52 1pn0 s ILE 240 N 5.34 4.90 -2.89 2.53 -1.09 -0.79 -4.76 121.20 124.44 1pn0 s ILE 240 Ca 0.35 1.51 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 1pn0 s ILE 240 Cb -0.08 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1pn0 s ILE 240 CO 0.10 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 1pn0 n GLY 241 N 3.62 -0.58 3.24 6.18 0.00 -1.26 -1.52 105.19 114.86 1pn0 n GLY 241 Ca 0.03 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1pn0 n GLY 241 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pn0 s GLU 242 N -1.16 0.87 -0.17 1.61 1.03 -0.98 -5.01 118.70 114.90 1pn0 s GLU 242 Ca 0.00 -0.79 0.01 0.00 0.03 0.00 0.00 54.97 54.23 1pn0 s GLU 242 Cb 0.00 0.37 0.02 0.00 -0.80 0.00 0.00 34.13 33.72 1pn0 s GLU 242 CO 0.00 -0.29 -0.20 -1.14 -1.33 0.00 0.00 175.26 172.30 1pn0 s GLN 243 N -3.48 2.92 0.90 -4.83 0.74 -1.26 -2.34 119.66 112.31 1pn0 s GLN 243 Ca 0.02 -0.81 -0.15 0.00 0.05 0.00 0.00 55.36 54.47 1pn0 s GLN 243 Cb 0.03 -2.48 0.22 0.00 1.10 0.00 0.00 33.01 31.87 1pn0 s GLN 243 CO -0.09 -0.16 0.97 0.25 -0.55 0.00 0.00 175.29 175.71 1pn0 n THR 244 N 4.49 0.00 0.99 -0.34 -2.24 -0.40 -4.97 114.28 111.81 1pn0 n THR 244 Ca -0.20 -0.58 0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1pn0 n THR 244 Cb 0.50 -1.38 0.28 0.00 -2.10 0.00 0.00 70.33 67.63 1pn0 n THR 244 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pn0 n ASP 245 N -4.13 2.52 -4.71 3.42 8.00 -1.26 -4.65 116.55 115.74 1pn0 n ASP 245 Ca 0.13 -1.83 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 1pn0 n ASP 245 Cb 0.47 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1pn0 n ASP 245 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pn0 s TYR 246 N -1.83 3.24 -0.06 1.24 2.02 -1.26 -4.95 117.35 115.74 1pn0 s TYR 246 Ca 0.34 1.05 0.05 0.00 -0.37 0.00 0.00 57.07 58.14 1pn0 s TYR 246 Cb 0.20 -3.58 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 1pn0 s TYR 246 CO 0.30 -1.99 -0.22 0.42 -1.57 0.00 0.00 175.55 172.50 1pn0 s ILE 247 N 1.35 1.79 0.16 2.71 1.01 -1.26 -1.01 121.20 125.95 1pn0 s ILE 247 Ca 0.62 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1pn0 s ILE 247 Cb -0.33 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1pn0 s ILE 247 CO 0.29 0.50 -0.18 0.26 0.00 0.00 0.00 174.94 175.82 1pn0 s TRP 248 N -0.01 1.77 0.33 3.97 0.52 -0.18 -0.44 118.94 124.90 1pn0 s TRP 248 Ca -0.05 -0.49 0.09 0.00 0.02 0.00 0.00 56.10 55.67 1pn0 s TRP 248 Cb -0.13 -0.88 -0.05 0.00 -1.15 0.00 0.00 33.47 31.25 1pn0 s TRP 248 CO 0.04 0.32 -0.01 0.20 0.02 0.00 0.00 176.95 177.52 1pn0 s GLY 249 N -2.71 2.00 -0.02 0.98 0.00 0.14 -1.08 107.32 106.63 1pn0 s GLY 249 Ca 0.16 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 42.98 1pn0 s GLY 249 CO 0.06 -1.88 -0.04 0.14 0.00 0.00 0.00 173.10 171.38 1pn0 s VAL 250 N -2.49 0.44 -0.09 1.40 1.01 -0.12 -0.13 120.40 120.41 1pn0 s VAL 250 Ca 0.34 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1pn0 s VAL 250 Cb -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.95 1pn0 s VAL 250 CO 0.19 0.17 -0.14 -0.76 0.00 0.00 0.00 175.10 174.56 1pn0 s LEU 251 N 0.48 1.69 -0.40 3.92 1.43 -0.05 -2.42 118.68 123.32 1pn0 s LEU 251 Ca -0.06 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1pn0 s LEU 251 Cb -0.09 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.15 1pn0 s LEU 251 CO -0.00 0.02 0.27 -1.81 0.23 0.00 0.00 176.35 175.06 1pn0 s ASP 252 N 0.87 5.93 0.05 2.29 1.11 -0.52 -0.26 116.67 126.15 1pn0 s ASP 252 Ca -0.10 -1.02 -0.06 0.00 0.18 0.00 0.00 52.55 51.55 1pn0 s ASP 252 Cb -0.15 -2.10 -0.01 0.00 1.07 0.00 0.00 42.92 41.73 1pn0 s ASP 252 CO 0.01 -0.45 0.11 0.00 1.18 0.00 0.00 175.17 176.02 1pn0 s ALA 253 N 1.61 -0.09 -0.42 5.23 0.00 -0.50 -0.29 121.76 127.31 1pn0 s ALA 253 Ca 0.03 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.20 1pn0 s ALA 253 Cb -0.20 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1pn0 s ALA 253 CO 0.08 -0.35 0.74 0.08 0.00 0.00 0.00 175.76 176.30 1pn0 s VAL 254 N -2.86 4.73 0.50 0.00 1.01 -0.52 -0.17 120.40 123.09 1pn0 s VAL 254 Ca -0.03 0.48 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 1pn0 s VAL 254 Cb 0.00 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 1pn0 s VAL 254 CO -0.06 -0.58 0.92 -2.16 0.00 0.00 0.00 175.10 173.22 1pn0 s PRO 255 N 3.08 3.82 -0.31 2.72 0.04 -1.26 -0.09 135.00 143.00 1pn0 s PRO 255 Ca 0.28 0.73 0.02 0.00 0.04 0.00 0.00 61.00 62.07 1pn0 s PRO 255 Cb -0.13 -2.21 0.09 0.00 0.04 0.00 0.00 34.50 32.29 1pn0 s PRO 255 CO 0.20 -0.25 0.03 0.00 0.04 0.00 0.00 177.00 177.02 1pn0 s ALA 256 N -2.65 2.30 -0.07 8.56 0.00 0.92 -4.74 121.76 126.08 1pn0 s ALA 256 Ca 0.55 -2.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.28 1pn0 s ALA 256 Cb -0.10 -1.74 0.05 0.00 0.00 0.00 0.00 23.12 21.33 1pn0 s ALA 256 CO 0.36 -1.56 0.51 0.45 0.00 0.00 0.00 175.76 175.53 1pn0 s SER 257 N 1.22 -0.47 -0.04 0.00 0.15 -1.26 -1.17 113.70 112.12 1pn0 s SER 257 Ca 0.06 0.58 0.19 0.00 0.70 0.00 0.00 55.95 57.48 1pn0 s SER 257 Cb -0.19 0.59 0.62 0.00 -1.71 0.00 0.00 66.02 65.33 1pn0 s SER 257 CO -0.12 -0.45 1.52 -0.46 1.20 0.00 0.00 173.24 174.92 1pn0 n ASN 258 N 1.47 3.88 -4.68 5.45 6.94 -1.25 -4.93 115.26 122.14 1pn0 n ASN 258 Ca -0.19 -2.15 -0.42 0.00 -0.02 0.00 0.00 54.58 51.80 1pn0 n ASN 258 Cb 0.56 -0.49 -0.03 0.00 -2.36 0.00 0.00 39.78 37.47 1pn0 n ASN 258 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pn0 s PHE 259 N -1.37 2.13 0.41 -2.53 5.36 -1.26 -4.87 117.98 115.85 1pn0 s PHE 259 Ca 0.45 0.10 0.07 0.00 -0.96 0.00 0.00 56.93 56.59 1pn0 s PHE 259 Cb 0.26 -4.06 0.86 0.00 -0.34 0.00 0.00 43.02 39.74 1pn0 s PHE 259 CO 0.28 -4.38 2.06 -1.35 -1.46 0.00 0.00 175.22 170.36 1pn0 h PRO 260 N 8.87 0.53 -0.74 10.12 0.11 -1.99 -2.81 132.00 146.09 1pn0 h PRO 260 Ca -0.44 -0.03 -0.43 0.00 0.11 0.00 0.00 66.00 65.20 1pn0 h PRO 260 Cb 1.21 -0.12 -0.25 0.00 0.11 0.00 0.00 31.00 31.95 1pn0 h PRO 260 CO 0.94 0.35 0.28 -0.25 -0.21 0.00 0.00 178.00 179.12 1pn0 n ASP 261 N -4.47 4.19 0.29 -2.05 8.00 -1.26 -4.69 116.55 116.56 1pn0 n ASP 261 Ca 0.03 -3.73 0.14 0.00 0.71 0.00 0.00 54.79 51.94 1pn0 n ASP 261 Cb 0.06 -0.75 0.87 0.00 -0.02 0.00 0.00 41.12 41.29 1pn0 n ASP 261 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1pn0 h ILE 262 N 1.12 0.59 -0.53 0.53 6.09 -1.89 -1.47 117.51 121.95 1pn0 h ILE 262 Ca 0.46 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.91 1pn0 h ILE 262 Cb 1.89 1.02 0.00 0.00 0.47 0.00 0.00 36.82 40.20 1pn0 h ILE 262 CO 0.91 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 176.54 1pn0 n ARG 263 N -3.92 2.58 -4.07 2.19 5.12 -1.26 -4.75 116.66 112.55 1pn0 n ARG 263 Ca -0.03 -2.42 -0.25 0.00 -1.93 0.00 0.00 57.85 53.22 1pn0 n ARG 263 Cb 0.09 -1.54 -0.05 0.00 -1.16 0.00 0.00 32.46 29.81 1pn0 n ARG 263 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1pn0 s SER 264 N -1.30 5.67 0.37 0.55 0.15 -0.55 -4.68 113.70 113.91 1pn0 s SER 264 Ca 0.43 -0.11 -0.27 0.00 0.70 0.00 0.00 55.95 56.69 1pn0 s SER 264 Cb 0.24 -1.52 -0.10 0.00 -1.71 0.00 0.00 66.02 62.94 1pn0 s SER 264 CO 0.32 0.03 1.32 -0.60 1.20 0.00 0.00 173.24 175.51 1pn0 s ARG 265 N -3.38 4.17 0.03 5.44 3.52 -0.76 -4.41 118.95 123.56 1pn0 s ARG 265 Ca 0.32 2.22 -0.05 0.00 -0.13 0.00 0.00 55.73 58.09 1pn0 s ARG 265 Cb -0.09 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1pn0 s ARG 265 CO 0.25 -0.35 0.08 0.00 -0.81 0.00 0.00 175.30 174.47 1pn0 s ALA 267 N -2.46 2.07 -0.13 0.00 0.00 -0.42 -1.03 121.76 119.79 1pn0 s ALA 267 Ca -0.06 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1pn0 s ALA 267 Cb -0.02 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.35 1pn0 s ALA 267 CO -0.04 0.28 -0.09 0.42 0.00 0.00 0.00 175.76 176.32 1pn0 s ILE 268 N 0.35 1.21 -0.31 0.00 1.01 -0.03 -0.48 121.20 122.95 1pn0 s ILE 268 Ca -0.18 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 1pn0 s ILE 268 Cb -0.18 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1pn0 s ILE 268 CO 0.08 0.36 0.16 -1.00 0.00 0.00 0.00 174.94 174.54 1pn0 s HIS 269 N 1.63 3.18 0.65 3.97 3.76 -0.82 -1.04 115.29 126.62 1pn0 s HIS 269 Ca 0.04 -0.49 -0.08 0.00 -0.15 0.00 0.00 55.06 54.39 1pn0 s HIS 269 Cb -0.13 -2.36 0.02 0.00 1.11 0.00 0.00 32.58 31.22 1pn0 s HIS 269 CO -0.09 -0.42 0.99 -1.54 -0.85 0.00 0.00 174.74 172.82 1pn0 s SER 270 N 1.63 5.37 0.21 1.40 1.04 -0.74 -3.84 113.70 118.77 1pn0 s SER 270 Ca 0.05 0.78 -0.10 0.00 0.48 0.00 0.00 55.95 57.16 1pn0 s SER 270 Cb -0.17 -1.64 0.15 0.00 0.10 0.00 0.00 66.02 64.46 1pn0 s SER 270 CO 0.07 -1.27 1.86 0.00 0.98 0.00 0.00 173.24 174.88 1pn0 h ALA 271 N -0.42 0.96 0.00 5.32 0.00 -1.87 -3.40 119.26 119.86 1pn0 h ALA 271 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1pn0 h ALA 271 Cb 1.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pn0 h ALA 271 CO 0.62 0.40 0.00 -1.91 0.00 0.00 0.00 179.25 178.36 1pn0 n GLU 272 N -4.53 0.00 -0.05 0.00 4.07 -1.26 -4.69 120.64 114.18 1pn0 n GLU 272 Ca 0.07 -0.07 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 1pn0 n GLU 272 Cb 0.04 -0.30 0.07 0.00 -0.06 0.00 0.00 31.44 31.18 1pn0 n GLU 272 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1pn0 n SER 273 N 0.00 2.09 0.00 4.31 7.64 -1.26 -5.11 113.62 121.29 1pn0 n SER 273 Ca 0.00 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.27 1pn0 n SER 273 Cb 0.31 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1pn0 n SER 273 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn0 n GLY 274 N 0.37 -2.32 3.60 0.23 0.00 -1.26 -4.78 105.19 101.02 1pn0 n GLY 274 Ca 0.06 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 1pn0 n GLY 274 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pn0 s SER 275 N -1.47 4.32 0.03 1.61 0.01 -1.26 -1.80 113.70 115.14 1pn0 s SER 275 Ca 0.00 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 56.58 1pn0 s SER 275 Cb 0.00 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.49 1pn0 s SER 275 CO 0.00 0.02 -0.13 -0.63 0.41 0.00 0.00 173.24 172.91 1pn0 s ILE 276 N -2.33 0.99 -0.13 1.44 1.01 -0.21 -1.13 121.20 120.85 1pn0 s ILE 276 Ca 0.31 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1pn0 s ILE 276 Cb -0.06 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.51 1pn0 s ILE 276 CO 0.19 -0.00 -0.22 -0.32 0.00 0.00 0.00 174.94 174.58 1pn0 s MET 277 N -1.03 2.97 -0.16 2.79 -2.45 -0.36 -0.85 119.30 120.21 1pn0 s MET 277 Ca 0.01 -0.84 -0.11 0.00 -1.25 0.00 0.00 55.69 53.50 1pn0 s MET 277 Cb -0.07 -2.36 -0.05 0.00 1.25 0.00 0.00 34.83 33.60 1pn0 s MET 277 CO 0.01 0.03 0.20 0.42 1.05 0.00 0.00 175.02 176.73 1pn0 s ILE 278 N 0.71 5.37 -0.39 10.11 1.01 -0.19 -1.32 121.20 136.51 1pn0 s ILE 278 Ca -0.10 0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.92 1pn0 s ILE 278 Cb -0.16 -3.52 0.12 0.00 0.01 0.00 0.00 42.46 38.90 1pn0 s ILE 278 CO 0.01 0.46 0.16 -0.63 0.00 0.00 0.00 174.94 174.94 1pn0 s ILE 279 N 0.06 1.54 0.23 2.92 -1.09 0.22 -1.88 121.20 123.19 1pn0 s ILE 279 Ca 0.13 -2.22 -0.30 0.00 -2.23 0.00 0.00 60.65 56.03 1pn0 s ILE 279 Cb -0.12 -2.11 -0.09 0.00 -1.58 0.00 0.00 42.46 38.56 1pn0 s ILE 279 CO 0.02 -0.76 1.28 -2.16 -1.23 0.00 0.00 174.94 172.10 1pn0 s PRO 280 N 0.80 4.41 0.07 2.79 0.04 -1.26 -0.48 135.00 141.37 1pn0 s PRO 280 Ca 0.14 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1pn0 s PRO 280 Cb -0.21 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1pn0 s PRO 280 CO -0.10 -0.19 0.00 0.54 0.04 0.00 0.00 177.00 177.30 1pn0 n ARG 281 N 2.12 1.81 -1.28 4.56 5.12 -0.20 -4.72 116.66 124.08 1pn0 n ARG 281 Ca 0.04 -0.47 -0.30 0.00 -1.93 0.00 0.00 57.85 55.19 1pn0 n ARG 281 Cb 0.43 0.12 0.13 0.00 -1.16 0.00 0.00 32.46 31.98 1pn0 n ARG 281 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1pn0 s GLU 282 N -2.24 1.37 -1.48 5.56 1.03 -1.26 -4.32 118.70 117.37 1pn0 s GLU 282 Ca 0.00 0.76 -0.01 0.00 0.03 0.00 0.00 54.97 55.75 1pn0 s GLU 282 Cb -0.00 -1.83 0.01 0.00 -0.80 0.00 0.00 34.13 31.51 1pn0 s GLU 282 CO 0.00 -2.14 0.27 0.09 -1.33 0.00 0.00 175.26 172.15 1pn0 n ASN 283 N -3.81 0.09 0.00 0.83 3.02 -1.26 -1.10 115.26 113.03 1pn0 n ASN 283 Ca 0.07 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1pn0 n ASN 283 Cb 0.56 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.26 1pn0 n ASN 283 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pn0 n ASN 284 N -2.93 -0.14 -4.81 6.41 3.02 -1.26 -4.98 115.26 110.56 1pn0 n ASN 284 Ca -0.30 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 53.92 1pn0 n ASN 284 Cb 0.68 -1.70 -0.02 0.00 -0.61 0.00 0.00 39.78 38.13 1pn0 n ASN 284 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pn0 s LEU 285 N 0.00 3.66 -0.01 3.41 1.43 -0.25 -4.44 118.68 122.47 1pn0 s LEU 285 Ca 0.00 1.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 1pn0 s LEU 285 Cb 0.00 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.70 1pn0 s LEU 285 CO 0.00 -0.83 -0.01 -0.69 0.23 0.00 0.00 176.35 175.05 1pn0 s VAL 286 N -2.36 0.15 -0.11 -1.59 1.01 0.76 -1.04 120.40 117.23 1pn0 s VAL 286 Ca 0.63 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 1pn0 s VAL 286 Cb -0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1pn0 s VAL 286 CO 0.29 0.09 0.31 -0.60 0.00 0.00 0.00 175.10 175.19 1pn0 s ARG 287 N 0.47 4.02 -0.19 2.72 3.52 0.37 -1.41 118.95 128.46 1pn0 s ARG 287 Ca -0.04 0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1pn0 s ARG 287 Cb -0.07 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1pn0 s ARG 287 CO -0.01 0.46 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.69 1pn0 s PHE 288 N -0.22 2.86 -0.26 5.12 0.40 0.64 -0.61 117.98 125.91 1pn0 s PHE 288 Ca 0.19 -1.77 -0.18 0.00 -0.60 0.00 0.00 56.93 54.57 1pn0 s PHE 288 Cb -0.14 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1pn0 s PHE 288 CO 0.07 -0.82 0.53 0.71 0.70 0.00 0.00 175.22 176.40 1pn0 s TYR 289 N 1.26 3.27 -0.16 0.36 1.51 -0.43 -0.87 117.35 122.28 1pn0 s TYR 289 Ca 0.02 0.65 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 1pn0 s TYR 289 Cb -0.14 -2.74 0.03 0.00 -0.11 0.00 0.00 41.96 39.00 1pn0 s TYR 289 CO -0.12 -0.29 -0.13 0.08 -1.11 0.00 0.00 175.55 173.98 1pn0 s VAL 290 N 2.33 1.58 0.28 0.71 1.01 0.81 -1.22 120.40 125.91 1pn0 s VAL 290 Ca 0.22 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1pn0 s VAL 290 Cb -0.16 -1.54 -0.10 0.00 0.00 0.00 0.00 36.38 34.59 1pn0 s VAL 290 CO 0.09 0.37 1.24 -1.58 0.00 0.00 0.00 175.10 175.23 1pn0 s GLN 291 N 1.47 4.45 -0.06 2.72 0.74 -0.28 0.27 119.66 128.96 1pn0 s GLN 291 Ca 0.03 2.05 -0.01 0.00 0.05 0.00 0.00 55.36 57.48 1pn0 s GLN 291 Cb -0.14 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 1pn0 s GLN 291 CO -0.10 -0.08 0.01 -0.51 -0.55 0.00 0.00 175.29 174.06 1pn0 s LEU 292 N -1.28 3.58 0.07 3.68 1.43 0.42 -4.73 118.68 121.84 1pn0 s LEU 292 Ca 0.49 0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.62 1pn0 s LEU 292 Cb -0.36 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 1pn0 s LEU 292 CO 0.46 0.35 0.37 -1.10 0.23 0.00 0.00 176.35 176.65 1pn0 s GLN 293 N -1.09 3.70 0.11 1.70 -0.21 -1.26 -4.50 119.66 118.11 1pn0 s GLN 293 Ca 0.15 0.09 0.02 0.00 0.02 0.00 0.00 55.36 55.64 1pn0 s GLN 293 Cb -0.11 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 1pn0 s GLN 293 CO 0.05 0.57 0.22 0.00 -2.12 0.00 0.00 175.29 174.01 1pn0 s ALA 294 N -1.41 3.91 -0.34 6.09 0.00 -1.26 -5.13 121.76 123.63 1pn0 s ALA 294 Ca 0.33 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1pn0 s ALA 294 Cb -0.14 -1.73 0.10 0.00 0.00 0.00 0.00 23.12 21.36 1pn0 s ALA 294 CO 0.18 0.68 0.06 0.95 0.00 0.00 0.00 175.76 177.62 1pn0 s THR 305 N -1.61 2.13 0.00 0.00 -4.23 -1.26 -5.28 115.64 105.39 1pn0 s THR 305 Ca 0.34 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1pn0 s THR 305 Cb -0.12 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1pn0 s THR 305 CO 0.27 -0.61 0.00 2.29 -0.54 0.00 0.00 174.62 176.03 1pn0 n LYS 306 N 4.31 0.00 -2.00 3.99 -0.00 -1.26 -5.16 118.16 118.04 1pn0 n LYS 306 Ca 0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.92 1pn0 n LYS 306 Cb 0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.42 1pn0 n LYS 306 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1pn0 s PHE 307 N 0.00 2.83 0.35 5.58 0.40 -1.26 -5.06 117.98 120.82 1pn0 s PHE 307 Ca 0.00 0.59 0.07 0.00 -0.60 0.00 0.00 56.93 56.99 1pn0 s PHE 307 Cb 0.00 -3.87 -0.07 0.00 0.51 0.00 0.00 43.02 39.59 1pn0 s PHE 307 CO 0.00 -3.31 -0.02 0.95 0.70 0.00 0.00 175.22 173.55 1pn0 s THR 308 N 1.83 1.84 0.27 0.64 -4.23 -1.26 -5.02 115.64 109.71 1pn0 s THR 308 Ca 0.70 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1pn0 s THR 308 Cb -0.40 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 70.94 1pn0 s THR 308 CO 0.31 -0.10 1.88 -0.65 -0.54 0.00 0.00 174.62 175.52 1pn0 h PRO 309 N 1.99 1.14 -0.84 3.99 0.11 -1.97 -2.12 132.00 134.30 1pn0 h PRO 309 Ca -0.42 -0.07 0.09 0.00 0.11 0.00 0.00 66.00 65.71 1pn0 h PRO 309 Cb 1.24 -0.26 -0.07 0.00 0.11 0.00 0.00 31.00 32.02 1pn0 h PRO 309 CO 0.74 0.75 0.49 0.93 -0.21 0.00 0.00 178.00 180.70 1pn0 h GLU 310 N 1.17 0.81 -0.38 1.05 3.07 -1.99 0.23 114.58 118.55 1pn0 h GLU 310 Ca 0.44 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 59.09 1pn0 h GLU 310 Cb 0.18 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1pn0 h GLU 310 CO -0.18 0.53 -0.38 0.28 -1.40 0.00 0.00 179.01 177.86 1pn0 h VAL 311 N 0.83 1.27 -0.60 3.13 2.07 -1.80 -1.42 116.25 119.73 1pn0 h VAL 311 Ca 0.40 -1.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 1pn0 h VAL 311 Cb 0.34 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1pn0 h VAL 311 CO -0.24 0.52 0.15 0.58 0.02 0.00 0.00 177.57 178.60 1pn0 h VAL 312 N 0.75 1.25 -0.74 2.57 2.07 -0.76 -1.73 116.25 119.67 1pn0 h VAL 312 Ca 0.06 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1pn0 h VAL 312 Cb 0.97 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1pn0 h VAL 312 CO 0.09 0.34 0.32 0.40 0.02 0.00 0.00 177.57 178.74 1pn0 h ILE 313 N 0.87 1.24 -0.32 4.57 2.04 -0.43 -0.50 117.51 124.99 1pn0 h ILE 313 Ca 0.19 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1pn0 h ILE 313 Cb 0.35 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1pn0 h ILE 313 CO 0.00 0.30 0.10 0.00 0.00 0.00 0.00 178.15 178.55 1pn0 h ALA 314 N 1.30 0.41 -0.84 1.87 0.00 -0.84 -0.49 119.26 120.67 1pn0 h ALA 314 Ca 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pn0 h ALA 314 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1pn0 h ALA 314 CO -0.03 0.05 0.41 -0.91 0.00 0.00 0.00 179.25 178.78 1pn0 h ASN 315 N 0.35 1.09 -0.62 0.00 4.21 -1.07 -2.71 115.58 116.83 1pn0 h ASN 315 Ca 0.10 -0.12 -0.03 0.00 1.21 0.00 0.00 56.30 57.46 1pn0 h ASN 315 Cb 0.25 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 37.15 1pn0 h ASN 315 CO -0.00 0.91 0.28 0.00 -1.29 0.00 0.00 177.43 177.33 1pn0 h ALA 316 N 1.26 0.80 -0.86 -0.83 0.00 -0.64 -1.70 119.26 117.29 1pn0 h ALA 316 Ca 0.29 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1pn0 h ALA 316 Cb 0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1pn0 h ALA 316 CO -0.04 0.37 0.56 0.87 0.00 0.00 0.00 179.25 181.02 1pn0 h LYS 317 N 0.85 1.07 -0.41 0.00 1.57 -0.85 0.23 116.57 119.02 1pn0 h LYS 317 Ca 0.21 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1pn0 h LYS 317 Cb 0.14 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1pn0 h LYS 317 CO -0.02 0.71 -0.31 0.87 -0.57 0.00 0.00 179.45 180.12 1pn0 h LYS 318 N 1.10 0.92 -0.11 3.15 1.57 -1.15 -2.71 116.57 119.34 1pn0 h LYS 318 Ca 0.33 -0.44 -0.17 0.00 -1.87 0.00 0.00 60.65 58.50 1pn0 h LYS 318 Cb -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1pn0 h LYS 318 CO -0.09 1.10 -0.64 0.82 -0.57 0.00 0.00 179.45 180.07 1pn0 h ILE 319 N 0.77 1.36 0.00 1.86 2.04 -0.53 -3.07 117.51 119.94 1pn0 h ILE 319 Ca 0.08 -1.99 -0.03 0.00 1.00 0.00 0.00 64.86 63.93 1pn0 h ILE 319 Cb 0.89 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1pn0 h ILE 319 CO 0.08 0.60 -0.13 -0.26 0.00 0.00 0.00 178.15 178.44 1pn0 h PHE 320 N 0.30 0.00 -1.25 1.37 0.04 -0.96 -3.44 116.94 113.00 1pn0 h PHE 320 Ca -0.01 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 60.04 1pn0 h PHE 320 Cb 1.19 0.00 0.08 0.00 2.20 0.00 0.00 35.95 39.41 1pn0 h PHE 320 CO 0.04 0.13 -0.05 1.58 -0.60 0.00 0.00 178.31 179.40 1pn0 n HIS 321 N -3.23 0.49 0.44 -0.55 -0.00 -1.03 -0.76 115.22 110.58 1pn0 n HIS 321 Ca 0.01 0.93 0.08 0.00 0.46 0.00 0.00 57.72 59.20 1pn0 n HIS 321 Cb 0.42 -2.10 0.21 0.00 -0.12 0.00 0.00 29.99 28.40 1pn0 n HIS 321 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1pn0 n PRO 322 N 1.44 2.18 -1.70 1.57 -0.04 -1.26 -4.60 135.00 132.59 1pn0 n PRO 322 Ca 0.18 -1.75 -0.33 0.00 -0.04 0.00 0.00 63.50 61.57 1pn0 n PRO 322 Cb 0.17 -1.40 0.05 0.00 -0.04 0.00 0.00 33.50 32.29 1pn0 n PRO 322 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pn0 s TYR 323 N -1.39 2.58 0.50 0.54 2.02 0.06 -5.02 117.35 116.64 1pn0 s TYR 323 Ca 0.32 1.56 -0.06 0.00 -0.37 0.00 0.00 57.07 58.52 1pn0 s TYR 323 Cb 0.17 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 1pn0 s TYR 323 CO 0.21 -1.75 0.81 0.95 -1.57 0.00 0.00 175.55 174.20 1pn0 s THR 324 N -2.36 4.87 -0.25 -0.71 -4.23 -1.26 -4.78 115.64 106.91 1pn0 s THR 324 Ca 0.67 0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 61.35 1pn0 s THR 324 Cb -0.21 -3.86 0.11 0.00 1.34 0.00 0.00 72.50 69.89 1pn0 s THR 324 CO 0.43 -0.87 0.54 0.12 -0.54 0.00 0.00 174.62 174.29 1pn0 s PHE 325 N -2.79 -1.09 0.05 3.99 5.36 -1.26 -3.84 117.98 118.41 1pn0 s PHE 325 Ca 0.48 1.92 -0.03 0.00 -0.96 0.00 0.00 56.93 58.34 1pn0 s PHE 325 Cb -0.10 0.56 -0.03 0.00 -0.34 0.00 0.00 43.02 43.10 1pn0 s PHE 325 CO 0.46 -0.59 0.03 -0.51 -1.46 0.00 0.00 175.22 173.15 1pn0 s ASP 326 N 2.76 0.36 -0.26 6.13 1.01 -0.32 -4.83 116.67 121.52 1pn0 s ASP 326 Ca -0.03 -0.83 -0.08 0.00 0.71 0.00 0.00 52.55 52.33 1pn0 s ASP 326 Cb -0.12 0.22 -0.03 0.00 1.01 0.00 0.00 42.92 44.00 1pn0 s ASP 326 CO -0.16 -0.59 0.08 -0.69 0.21 0.00 0.00 175.17 174.02 1pn0 s VAL 327 N -3.51 4.36 -0.02 -1.27 1.01 -1.26 -0.05 120.40 119.65 1pn0 s VAL 327 Ca 0.03 -0.19 0.11 0.00 0.00 0.00 0.00 61.98 61.93 1pn0 s VAL 327 Cb 0.05 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 1pn0 s VAL 327 CO -0.09 0.31 1.28 1.56 0.00 0.00 0.00 175.10 178.16 1pn0 h GLN 328 N 8.25 0.00 -1.96 2.72 4.20 -0.79 -3.47 115.11 124.06 1pn0 h GLN 328 Ca -0.38 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.31 1pn0 h GLN 328 Cb 1.17 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.74 1pn0 h GLN 328 CO 0.58 0.72 0.15 -1.14 -0.67 0.00 0.00 178.83 178.47 1pn0 s GLN 329 N -2.82 0.79 -0.14 1.46 0.74 -1.21 -4.96 119.66 113.51 1pn0 s GLN 329 Ca 0.02 0.99 0.02 0.00 0.05 0.00 0.00 55.36 56.43 1pn0 s GLN 329 Cb 0.09 0.36 0.01 0.00 1.10 0.00 0.00 33.01 34.56 1pn0 s GLN 329 CO 0.79 -0.10 -0.20 -1.17 -0.55 0.00 0.00 175.29 174.05 1pn0 s LEU 330 N 0.53 2.20 -0.06 3.68 2.96 -1.26 -1.44 118.68 125.28 1pn0 s LEU 330 Ca -0.01 -0.57 0.16 0.00 -0.22 0.00 0.00 54.13 53.49 1pn0 s LEU 330 Cb -0.05 -1.47 -0.24 0.00 0.50 0.00 0.00 46.19 44.93 1pn0 s LEU 330 CO -0.02 0.08 0.27 0.47 -1.32 0.00 0.00 176.35 175.83 1pn0 n ASP 331 N 4.06 1.22 -3.56 3.68 9.92 0.61 -5.01 116.55 127.46 1pn0 n ASP 331 Ca -0.20 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.00 1pn0 n ASP 331 Cb 0.52 1.50 -0.02 0.00 -0.64 0.00 0.00 41.12 42.47 1pn0 n ASP 331 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1pn0 s TRP 332 N -2.92 -0.27 -0.07 1.24 -0.00 -1.20 -4.78 118.94 110.94 1pn0 s TRP 332 Ca -0.06 0.12 -0.29 0.00 -0.00 0.00 0.00 56.10 55.86 1pn0 s TRP 332 Cb 0.09 0.55 0.10 0.00 -0.00 0.00 0.00 33.47 34.21 1pn0 s TRP 332 CO 0.67 -0.54 0.86 0.12 -0.00 0.00 0.00 176.95 178.07 1pn0 s PHE 333 N -3.03 -0.44 0.37 5.86 2.19 -1.26 -1.44 117.98 120.23 1pn0 s PHE 333 Ca 0.07 0.61 -0.16 0.00 0.33 0.00 0.00 56.93 57.78 1pn0 s PHE 333 Cb -0.01 0.47 0.05 0.00 -1.31 0.00 0.00 43.02 42.22 1pn0 s PHE 333 CO -0.06 -0.50 0.78 -0.08 1.83 0.00 0.00 175.22 177.19 1pn0 s THR 334 N -1.87 0.00 0.02 0.12 -1.32 -1.02 -4.99 115.64 106.59 1pn0 s THR 334 Ca -0.02 -1.01 -0.06 0.00 -1.21 0.00 0.00 61.69 59.39 1pn0 s THR 334 Cb -0.01 -2.76 -0.01 0.00 -1.51 0.00 0.00 72.50 68.22 1pn0 s THR 334 CO -0.00 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 172.50 1pn0 s ALA 335 N -2.53 -0.16 0.13 11.08 0.00 -1.26 -0.94 121.76 128.07 1pn0 s ALA 335 Ca 0.15 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 1pn0 s ALA 335 Cb -0.05 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.29 1pn0 s ALA 335 CO 0.11 -0.25 0.46 1.52 0.00 0.00 0.00 175.76 177.61 1pn0 s TYR 336 N -1.90 -0.31 0.19 0.00 -0.85 -0.24 -5.01 117.35 109.24 1pn0 s TYR 336 Ca -0.11 0.05 -0.06 0.00 -0.52 0.00 0.00 57.07 56.44 1pn0 s TYR 336 Cb -0.05 0.35 -0.06 0.00 0.38 0.00 0.00 41.96 42.58 1pn0 s TYR 336 CO -0.01 -0.74 0.45 -1.01 -1.52 0.00 0.00 175.55 172.72 1pn0 s HIS 337 N -3.68 3.46 -0.19 -3.49 3.76 -1.26 -1.01 115.29 112.87 1pn0 s HIS 337 Ca 0.02 0.64 -0.28 0.00 -0.15 0.00 0.00 55.06 55.29 1pn0 s HIS 337 Cb 0.01 -2.08 -0.00 0.00 1.11 0.00 0.00 32.58 31.62 1pn0 s HIS 337 CO -0.12 0.35 0.96 0.42 -0.85 0.00 0.00 174.74 175.51 1pn0 s ILE 338 N -1.78 4.76 0.14 0.60 -1.09 -0.18 -4.91 121.20 118.74 1pn0 s ILE 338 Ca 0.43 1.89 -0.25 0.00 -2.23 0.00 0.00 60.65 60.49 1pn0 s ILE 338 Cb -0.12 -4.25 0.06 0.00 -1.58 0.00 0.00 42.46 36.58 1pn0 s ILE 338 CO 0.25 -0.09 0.92 -0.83 -1.23 0.00 0.00 174.94 173.96 1pn0 s GLY 339 N 1.19 -0.26 -0.01 6.18 0.00 -1.26 -1.27 107.32 111.89 1pn0 s GLY 339 Ca 0.43 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1pn0 s GLY 339 CO 0.10 0.04 0.00 1.20 0.00 0.00 0.00 173.10 174.44 1pn0 s GLN 340 N -3.33 0.03 -0.05 2.90 1.11 -0.99 -3.51 119.66 115.81 1pn0 s GLN 340 Ca 0.11 0.04 -0.12 0.00 0.01 0.00 0.00 55.36 55.40 1pn0 s GLN 340 Cb -0.02 -0.10 0.02 0.00 -1.01 0.00 0.00 33.01 31.90 1pn0 s GLN 340 CO 0.01 -0.04 0.29 1.03 0.01 0.00 0.00 175.29 176.59 1pn0 s ARG 341 N 0.29 0.52 -0.07 2.91 0.52 -0.41 -2.33 118.95 120.39 1pn0 s ARG 341 Ca -0.02 0.04 -0.19 0.00 -0.52 0.00 0.00 55.73 55.04 1pn0 s ARG 341 Cb -0.04 0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.71 1pn0 s ARG 341 CO -0.01 -0.12 0.43 0.54 0.02 0.00 0.00 175.30 176.17 1pn0 s VAL 342 N -0.72 0.03 0.34 3.52 0.11 -0.58 -0.87 120.40 122.23 1pn0 s VAL 342 Ca -0.08 -0.24 -0.05 0.00 -2.93 0.00 0.00 61.98 58.69 1pn0 s VAL 342 Cb -0.04 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.05 1pn0 s VAL 342 CO 0.02 -0.13 0.61 0.42 -3.33 0.00 0.00 175.10 172.69 1pn0 s THR 343 N -0.86 5.00 0.11 5.04 -4.23 -0.72 -1.89 115.64 118.09 1pn0 s THR 343 Ca -0.09 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1pn0 s THR 343 Cb -0.03 -3.77 -0.23 0.00 1.34 0.00 0.00 72.50 69.81 1pn0 s THR 343 CO 0.05 -0.45 1.25 -0.33 -0.54 0.00 0.00 174.62 174.59 1pn0 h GLU 344 N 1.30 0.14 -6.42 3.99 4.39 -1.93 -3.46 114.58 112.60 1pn0 h GLU 344 Ca -0.48 -0.22 -0.69 0.00 0.34 0.00 0.00 59.36 58.31 1pn0 h GLU 344 Cb 1.20 0.08 -0.22 0.00 -0.10 0.00 0.00 28.75 29.70 1pn0 h GLU 344 CO 0.65 1.07 -0.78 0.15 -1.16 0.00 0.00 179.01 178.94 1pn0 s LYS 345 N -2.79 2.35 0.00 2.33 -0.14 -1.26 -5.01 119.74 115.22 1pn0 s LYS 345 Ca -0.02 -0.81 0.05 0.00 -1.36 0.00 0.00 55.97 53.84 1pn0 s LYS 345 Cb 0.09 -2.32 0.04 0.00 -1.68 0.00 0.00 37.83 33.96 1pn0 s LYS 345 CO 0.85 0.59 0.64 1.19 -0.76 0.00 0.00 175.35 177.86 1pn0 n PHE 346 N 1.95 0.00 -3.69 3.18 3.01 -1.26 -4.95 117.46 115.70 1pn0 n PHE 346 Ca -0.16 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.16 1pn0 n PHE 346 Cb 0.52 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.91 1pn0 n PHE 346 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pn0 s SER 347 N -0.43 -0.45 -0.23 4.37 0.15 -1.26 -1.42 113.70 114.43 1pn0 s SER 347 Ca 0.06 0.73 -0.02 0.00 0.70 0.00 0.00 55.95 57.41 1pn0 s SER 347 Cb 0.04 0.76 0.01 0.00 -1.71 0.00 0.00 66.02 65.13 1pn0 s SER 347 CO 0.06 -0.30 -0.07 -0.75 1.20 0.00 0.00 173.24 173.38 1pn0 s LYS 348 N -0.33 3.08 -0.77 5.44 2.47 -0.03 -4.70 119.74 124.89 1pn0 s LYS 348 Ca -0.05 -0.81 0.00 0.00 -1.56 0.00 0.00 55.97 53.55 1pn0 s LYS 348 Cb -0.03 -2.93 0.00 0.00 -1.46 0.00 0.00 37.83 33.40 1pn0 s LYS 348 CO 0.03 -0.29 0.00 -0.25 0.16 0.00 0.00 175.35 175.00 1pn0 n ASP 349 N 4.72 -5.65 -3.52 1.43 8.00 -1.26 -0.82 116.55 119.44 1pn0 n ASP 349 Ca -0.18 0.18 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1pn0 n ASP 349 Cb 0.49 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1pn0 n ASP 349 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pn0 n GLU 350 N -0.42 -3.98 0.00 -1.24 4.71 -1.26 -4.82 120.64 113.63 1pn0 n GLU 350 Ca -0.07 0.54 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 1pn0 n GLU 350 Cb 0.53 -5.31 0.00 0.00 -1.01 0.00 0.00 31.44 25.66 1pn0 n GLU 350 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1pn0 n ARG 351 N -4.02 0.00 -4.15 3.49 5.12 -0.00 -4.98 116.66 112.11 1pn0 n ARG 351 Ca -0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.57 1pn0 n ARG 351 Cb 0.54 -0.79 -0.14 0.00 -1.16 0.00 0.00 32.46 30.92 1pn0 n ARG 351 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1pn0 s VAL 352 N -1.92 3.34 0.23 1.55 1.01 -0.70 -1.47 120.40 122.43 1pn0 s VAL 352 Ca 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1pn0 s VAL 352 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1pn0 s VAL 352 CO 0.00 0.46 -0.05 -0.36 0.00 0.00 0.00 175.10 175.14 1pn0 s PHE 353 N 1.10 2.65 0.13 5.22 0.08 0.22 -0.85 117.98 126.52 1pn0 s PHE 353 Ca 0.01 -0.23 0.09 0.00 0.12 0.00 0.00 56.93 56.92 1pn0 s PHE 353 Cb -0.15 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 1pn0 s PHE 353 CO -0.01 0.59 -0.20 0.96 -0.10 0.00 0.00 175.22 176.45 1pn0 s ILE 354 N -2.09 1.80 0.10 0.64 -4.36 -0.50 0.39 121.20 117.18 1pn0 s ILE 354 Ca 0.29 -1.71 -0.13 0.00 -0.26 0.00 0.00 60.65 58.84 1pn0 s ILE 354 Cb -0.07 -1.70 0.02 0.00 1.25 0.00 0.00 42.46 41.95 1pn0 s ILE 354 CO 0.18 -0.15 0.30 0.00 0.24 0.00 0.00 174.94 175.50 1pn0 s ALA 355 N -1.51 -0.60 0.00 2.27 0.00 -0.63 -4.86 121.76 116.42 1pn0 s ALA 355 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1pn0 s ALA 355 Cb -0.08 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1pn0 s ALA 355 CO 0.05 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1pn0 n GLY 356 N -0.01 -0.13 0.37 0.00 0.00 -1.26 -3.33 105.19 100.82 1pn0 n GLY 356 Ca -0.16 -1.03 0.19 0.00 0.00 0.00 0.00 46.02 45.02 1pn0 n GLY 356 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pn0 h ASP 357 N 8.25 0.00 -0.14 1.61 5.19 -1.85 0.19 116.42 129.66 1pn0 h ASP 357 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1pn0 h ASP 357 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1pn0 h ASP 357 CO 0.00 0.00 0.14 0.00 -3.12 0.00 0.00 179.24 176.26 1pn0 h ALA 358 N 1.67 1.82 0.00 3.45 0.00 -1.49 -2.86 119.26 121.85 1pn0 h ALA 358 Ca 0.18 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1pn0 h ALA 358 Cb 0.86 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1pn0 h ALA 358 CO -0.00 -0.22 -1.97 0.00 0.00 0.00 0.00 179.25 177.06 1pn0 s HIS 360 N -2.76 -0.85 0.14 0.00 0.00 -0.91 -1.75 115.29 109.17 1pn0 s HIS 360 Ca -0.07 1.65 0.08 0.00 -3.00 0.00 0.00 55.06 53.72 1pn0 s HIS 360 Cb 0.08 0.41 -0.04 0.00 -4.00 0.00 0.00 32.58 29.03 1pn0 s HIS 360 CO 0.69 -0.46 -0.19 0.95 -1.00 0.00 0.00 174.74 174.73 1pn0 s THR 361 N 2.04 1.74 0.11 -5.38 -4.23 -0.05 -4.10 115.64 105.78 1pn0 s THR 361 Ca -0.07 -1.79 -0.24 0.00 -1.18 0.00 0.00 61.69 58.41 1pn0 s THR 361 Cb -0.09 -1.73 0.08 0.00 1.34 0.00 0.00 72.50 72.10 1pn0 s THR 361 CO -0.15 -0.25 1.12 -1.38 -0.54 0.00 0.00 174.62 173.42 1pn0 s HIS 362 N -1.81 0.05 0.73 3.99 -3.43 -1.25 -1.29 115.29 112.29 1pn0 s HIS 362 Ca 0.12 -0.35 -0.11 0.00 -0.80 0.00 0.00 55.06 53.92 1pn0 s HIS 362 Cb -0.07 0.65 0.03 0.00 -1.43 0.00 0.00 32.58 31.76 1pn0 s HIS 362 CO 0.06 -0.70 1.07 -1.54 -2.00 0.00 0.00 174.74 171.63 1pn0 s SER 363 N -3.53 5.03 -0.14 7.38 1.04 -1.23 -4.87 113.70 117.38 1pn0 s SER 363 Ca 0.24 1.55 0.10 0.00 0.48 0.00 0.00 55.95 58.32 1pn0 s SER 363 Cb -0.02 -2.37 0.54 0.00 0.10 0.00 0.00 66.02 64.27 1pn0 s SER 363 CO 0.03 -1.66 1.34 -0.81 0.98 0.00 0.00 173.24 173.12 1pn0 n PRO 364 N -3.26 3.44 0.27 4.02 -0.04 -1.26 -4.53 135.00 133.64 1pn0 n PRO 364 Ca 0.07 -2.07 0.12 0.00 -0.04 0.00 0.00 63.50 61.58 1pn0 n PRO 364 Cb 0.54 -1.94 0.75 0.00 -0.04 0.00 0.00 33.50 32.81 1pn0 n PRO 364 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1pn0 h LYS 365 N 2.70 0.00 -0.09 0.54 1.79 -1.98 -1.57 116.57 117.96 1pn0 h LYS 365 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pn0 h LYS 365 Cb 1.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 1pn0 h LYS 365 CO 0.29 0.08 0.00 0.00 -1.08 0.00 0.00 179.45 178.74 1pn0 n ALA 366 N -2.36 2.32 -3.89 3.86 0.00 -1.26 -5.01 120.51 114.17 1pn0 n ALA 366 Ca -0.02 -1.95 -0.24 0.00 0.00 0.00 0.00 53.44 51.23 1pn0 n ALA 366 Cb 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 1pn0 n ALA 366 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn0 n GLY 367 N -0.77 -0.24 0.01 0.00 0.00 -0.59 -4.88 105.19 98.72 1pn0 n GLY 367 Ca 0.12 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.39 1pn0 n GLY 367 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pn0 n GLN 368 N -4.37 0.13 0.25 1.61 1.13 -1.26 -4.50 117.38 110.37 1pn0 n GLN 368 Ca -0.31 -0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 54.64 1pn0 n GLN 368 Cb 0.68 -1.53 -0.05 0.00 0.11 0.00 0.00 30.24 29.45 1pn0 n GLN 368 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1pn0 h GLY 369 N 4.79 -0.67 0.99 1.08 0.00 -1.89 -0.94 103.07 106.42 1pn0 h GLY 369 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.59 1pn0 h GLY 369 CO 0.00 -0.24 0.52 1.98 0.00 0.00 0.00 176.54 178.79 1pn0 h MET 370 N -0.66 1.02 0.19 4.80 1.85 -1.86 -1.30 114.93 118.97 1pn0 h MET 370 Ca -0.07 -0.06 0.01 0.00 -0.61 0.00 0.00 59.70 58.97 1pn0 h MET 370 Cb 0.49 -0.23 -0.04 0.00 0.43 0.00 0.00 31.60 32.25 1pn0 h MET 370 CO 0.11 0.67 -0.46 -0.91 -0.40 0.00 0.00 176.91 175.92 1pn0 h ASN 371 N 1.05 -1.34 -0.70 1.39 2.35 -1.74 -1.43 115.58 115.17 1pn0 h ASN 371 Ca 0.29 0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 56.11 1pn0 h ASN 371 Cb -0.10 0.49 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1pn0 h ASN 371 CO -0.07 -0.54 0.16 0.74 -1.65 0.00 0.00 177.43 176.07 1pn0 h THR 372 N -0.74 1.26 -0.41 2.81 2.02 -0.97 -1.24 112.91 115.64 1pn0 h THR 372 Ca -0.00 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1pn0 h THR 372 Cb 0.73 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1pn0 h THR 372 CO -0.22 0.38 0.10 0.28 0.37 0.00 0.00 175.52 176.43 1pn0 h SER 373 N 1.06 0.61 -0.15 4.18 0.02 -1.16 0.23 113.55 118.35 1pn0 h SER 373 Ca 0.22 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1pn0 h SER 373 Cb 0.39 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1pn0 h SER 373 CO 0.00 0.68 -0.27 0.24 -1.14 0.00 0.00 176.83 176.35 1pn0 h MET 374 N 0.51 0.61 0.00 3.45 2.07 -1.15 -2.73 114.93 117.69 1pn0 h MET 374 Ca 0.13 -0.25 -0.06 0.00 -2.07 0.00 0.00 59.70 57.45 1pn0 h MET 374 Cb 0.31 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 1pn0 h MET 374 CO 0.00 0.82 -0.27 0.52 1.07 0.00 0.00 176.91 179.05 1pn0 h MET 375 N 0.53 0.00 -0.12 1.72 2.86 -0.86 -0.30 114.93 118.77 1pn0 h MET 375 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1pn0 h MET 375 Cb 0.74 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1pn0 h MET 375 CO 0.06 0.27 0.05 -0.44 1.06 0.00 0.00 176.91 177.91 1pn0 h ASP 376 N 0.00 0.16 1.63 1.22 3.32 -0.65 -2.34 116.42 119.76 1pn0 h ASP 376 Ca -0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1pn0 h ASP 376 Cb 0.57 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1pn0 h ASP 376 CO 0.04 0.28 -0.21 0.71 -1.72 0.00 0.00 179.24 178.34 1pn0 h THR 377 N 0.03 0.00 -0.51 0.35 1.35 -1.32 -1.37 112.91 111.45 1pn0 h THR 377 Ca 0.04 -0.84 -0.07 0.00 -0.55 0.00 0.00 66.41 64.99 1pn0 h THR 377 Cb 0.17 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 1pn0 h THR 377 CO -0.00 0.00 0.01 0.22 -0.25 0.00 0.00 175.52 175.50 1pn0 h TYR 378 N 0.00 0.89 0.19 4.73 3.20 -1.01 0.16 116.97 125.13 1pn0 h TYR 378 Ca 0.00 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 1pn0 h TYR 378 Cb 0.92 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1pn0 h TYR 378 CO 0.00 0.81 -0.09 -0.97 -1.64 0.00 0.00 178.16 176.27 1pn0 h ASN 379 N 0.78 -0.21 -0.50 -2.11 -0.73 -1.10 -3.32 115.58 108.38 1pn0 h ASN 379 Ca 0.15 -0.32 -0.07 0.00 1.87 0.00 0.00 56.30 57.94 1pn0 h ASN 379 Cb 0.45 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1pn0 h ASN 379 CO 0.02 0.28 0.08 0.25 -0.37 0.00 0.00 177.43 177.69 1pn0 h LEU 380 N -0.79 0.85 -0.85 0.34 5.85 -1.24 -3.30 115.31 116.16 1pn0 h LEU 380 Ca -0.03 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1pn0 h LEU 380 Cb 0.52 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1pn0 h LEU 380 CO 0.04 0.86 0.47 1.23 -0.34 0.00 0.00 178.44 180.70 1pn0 h GLY 381 N 1.00 1.28 1.46 3.75 0.00 -0.78 -0.89 103.07 108.87 1pn0 h GLY 381 Ca 0.17 -0.58 -0.17 0.00 0.00 0.00 0.00 47.33 46.75 1pn0 h GLY 381 CO 0.01 0.56 -0.61 0.11 0.00 0.00 0.00 176.54 176.60 1pn0 h TRP 382 N 1.19 0.72 -0.14 5.60 5.08 -1.66 -0.24 115.95 126.50 1pn0 h TRP 382 Ca 0.30 -0.27 -0.00 0.00 1.08 0.00 0.00 58.89 59.99 1pn0 h TRP 382 Cb 0.03 -0.13 -0.01 0.00 -3.00 0.00 0.00 29.16 26.06 1pn0 h TRP 382 CO 0.01 1.03 0.07 0.87 -1.28 0.00 0.00 178.44 179.13 1pn0 h LYS 383 N 0.42 0.20 -0.64 0.12 1.57 -1.55 -1.26 116.57 115.43 1pn0 h LYS 383 Ca -0.01 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1pn0 h LYS 383 Cb 1.17 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1pn0 h LYS 383 CO 0.11 0.24 0.12 1.25 -0.57 0.00 0.00 179.45 180.61 1pn0 h LEU 384 N 0.10 0.98 -0.65 2.94 5.85 -1.15 -2.12 115.31 121.26 1pn0 h LEU 384 Ca 0.05 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1pn0 h LEU 384 Cb 0.11 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1pn0 h LEU 384 CO -0.01 0.96 0.32 1.23 -0.34 0.00 0.00 178.44 180.60 1pn0 h GLY 385 N 1.05 1.01 1.48 3.75 0.00 -0.84 0.39 103.07 109.90 1pn0 h GLY 385 Ca 0.20 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1pn0 h GLY 385 CO 0.01 0.47 -0.30 1.41 0.00 0.00 0.00 176.54 178.13 1pn0 h LEU 386 N 0.90 0.61 -0.31 3.11 3.38 -1.11 -1.82 115.31 120.07 1pn0 h LEU 386 Ca 0.23 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pn0 h LEU 386 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1pn0 h LEU 386 CO -0.03 0.88 0.06 0.58 0.09 0.00 0.00 178.44 180.02 1pn0 h VAL 387 N 0.51 1.23 -0.03 1.22 2.07 -0.95 0.15 116.25 120.45 1pn0 h VAL 387 Ca 0.06 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1pn0 h VAL 387 Cb 0.77 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1pn0 h VAL 387 CO 0.06 0.26 -0.35 -0.07 0.02 0.00 0.00 177.57 177.49 1pn0 h LEU 388 N 0.35 0.06 -1.11 2.57 3.38 -0.82 -1.75 115.31 117.98 1pn0 h LEU 388 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pn0 h LEU 388 Cb 0.33 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1pn0 h LEU 388 CO 0.00 0.41 0.00 0.35 0.09 0.00 0.00 178.44 179.29 1pn0 n THR 389 N -4.11 0.35 -1.25 0.22 -2.24 -0.70 -4.91 114.28 101.64 1pn0 n THR 389 Ca -0.02 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 1pn0 n THR 389 Cb 0.40 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 1pn0 n THR 389 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pn0 n GLY 390 N 1.03 1.05 0.05 3.38 0.00 -0.66 -4.89 105.19 105.15 1pn0 n GLY 390 Ca 0.12 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.68 1pn0 n GLY 390 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pn0 n ARG 391 N -2.61 0.64 -4.13 1.61 1.74 0.43 -4.67 116.66 109.67 1pn0 n ARG 391 Ca -0.09 -0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 56.82 1pn0 n ARG 391 Cb 0.30 -1.64 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 1pn0 n ARG 391 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pn0 s ALA 392 N -3.40 0.81 0.32 7.54 0.00 -0.63 -0.90 121.76 125.51 1pn0 s ALA 392 Ca -0.05 -1.15 -0.28 0.00 0.00 0.00 0.00 51.96 50.48 1pn0 s ALA 392 Cb 0.12 0.13 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 1pn0 s ALA 392 CO 0.86 -0.18 1.14 0.15 0.00 0.00 0.00 175.76 177.73 1pn0 s LYS 393 N -3.11 4.45 0.53 0.00 1.02 -0.41 -4.28 119.74 117.94 1pn0 s LYS 393 Ca 0.04 1.84 0.25 0.00 0.02 0.00 0.00 55.97 58.12 1pn0 s LYS 393 Cb 0.00 -3.02 1.38 0.00 -0.52 0.00 0.00 37.83 35.68 1pn0 s LYS 393 CO -0.03 0.03 2.00 -0.09 -0.92 0.00 0.00 175.35 176.33 1pn0 h ARG 394 N 3.41 0.01 -0.09 1.68 2.43 -1.94 -1.39 114.38 118.50 1pn0 h ARG 394 Ca -0.48 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1pn0 h ARG 394 Cb 1.22 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1pn0 h ARG 394 CO 0.65 0.01 0.25 -0.44 -1.51 0.00 0.00 179.97 178.94 1pn0 h ASP 395 N 0.01 0.00 0.60 -3.80 3.32 -1.96 -0.78 116.42 113.81 1pn0 h ASP 395 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1pn0 h ASP 395 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1pn0 h ASP 395 CO -0.01 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.67 1pn0 h ILE 396 N 0.00 0.00 0.00 0.35 3.07 -1.62 -2.69 117.51 116.62 1pn0 h ILE 396 Ca 0.04 -0.28 -0.04 0.00 1.55 0.00 0.00 64.86 66.12 1pn0 h ILE 396 Cb 0.55 1.21 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1pn0 h ILE 396 CO -0.00 0.00 -0.20 -0.07 -1.05 0.00 0.00 178.15 176.83 1pn0 h LEU 397 N 0.00 0.00 -2.33 0.16 3.38 -1.36 -2.13 115.31 113.03 1pn0 h LEU 397 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pn0 h LEU 397 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1pn0 h LEU 397 CO 0.00 0.20 -0.04 0.11 0.09 0.00 0.00 178.44 178.80 1pn0 h LYS 398 N 0.00 0.00 0.00 1.13 1.57 -1.68 -2.35 116.57 115.24 1pn0 h LYS 398 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pn0 h LYS 398 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1pn0 h LYS 398 CO 0.03 0.04 0.00 0.25 -0.57 0.00 0.00 179.45 179.20 1pn0 n THR 399 N -3.58 0.74 0.23 -0.16 -2.24 -0.80 -2.75 114.28 105.71 1pn0 n THR 399 Ca -0.02 0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 1pn0 n THR 399 Cb 0.15 -0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 67.35 1pn0 n THR 399 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1pn0 h TYR 400 N 0.00 -0.53 -0.69 4.78 3.20 -1.59 -0.46 116.97 121.68 1pn0 h TYR 400 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1pn0 h TYR 400 Cb 0.50 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1pn0 h TYR 400 CO 0.00 -0.23 0.32 1.49 -1.64 0.00 0.00 178.16 178.10 1pn0 h GLU 401 N -0.80 1.00 -0.56 1.82 4.81 -1.74 0.13 114.58 119.25 1pn0 h GLU 401 Ca -0.06 -0.15 0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1pn0 h GLU 401 Cb 0.54 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1pn0 h GLU 401 CO 0.10 0.80 0.37 0.93 -0.73 0.00 0.00 179.01 180.48 1pn0 h GLU 402 N 0.96 0.51 0.07 1.92 5.08 -1.37 -1.34 114.58 120.42 1pn0 h GLU 402 Ca 0.24 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.25 1pn0 h GLU 402 Cb 0.13 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1pn0 h GLU 402 CO -0.03 0.34 -1.70 0.39 -1.00 0.00 0.00 179.01 177.01 1pn0 n GLU 403 N -4.47 0.67 0.04 2.33 1.02 -0.19 -4.51 120.64 115.52 1pn0 n GLU 403 Ca 0.08 0.40 -0.03 0.00 -0.02 0.00 0.00 57.16 57.59 1pn0 n GLU 403 Cb 0.24 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 29.85 1pn0 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pn0 h ARG 404 N -0.42 0.00 -0.14 3.49 2.47 -0.68 -3.30 114.38 115.79 1pn0 h ARG 404 Ca -0.40 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.28 1pn0 h ARG 404 Cb 1.71 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.02 1pn0 h ARG 404 CO -0.06 0.47 -0.06 0.37 0.56 0.00 0.00 179.97 181.25 1pn0 h GLN 405 N 0.00 0.30 -0.20 0.04 -0.00 -1.42 -1.48 115.11 112.35 1pn0 h GLN 405 Ca -0.15 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.65 58.36 1pn0 h GLN 405 Cb 1.68 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 29.14 1pn0 h GLN 405 CO 0.07 0.61 0.03 -1.35 0.00 0.00 0.00 178.83 178.19 1pn0 h PRO 406 N -0.03 0.29 -0.45 -2.39 0.11 -1.75 -1.38 132.00 126.40 1pn0 h PRO 406 Ca 0.03 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1pn0 h PRO 406 Cb 0.52 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1pn0 h PRO 406 CO 0.02 0.29 0.10 0.35 -0.21 0.00 0.00 178.00 178.55 1pn0 h PHE 407 N 0.28 0.76 -0.77 0.65 3.57 -1.58 -1.60 116.94 118.26 1pn0 h PHE 407 Ca 0.07 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1pn0 h PHE 407 Cb 0.15 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 1pn0 h PHE 407 CO 0.00 0.70 0.49 0.00 -2.23 0.00 0.00 178.31 177.28 1pn0 h ALA 408 N 0.96 1.01 -0.75 2.41 0.00 -0.49 0.65 119.26 123.05 1pn0 h ALA 408 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1pn0 h ALA 408 Cb 0.33 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1pn0 h ALA 408 CO 0.00 0.31 0.42 0.37 0.00 0.00 0.00 179.25 180.35 1pn0 h GLN 409 N 0.97 1.04 -0.63 0.00 5.75 -1.02 -0.80 115.11 120.42 1pn0 h GLN 409 Ca 0.31 -0.12 -0.06 0.00 -0.15 0.00 0.00 58.65 58.63 1pn0 h GLN 409 Cb 0.00 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.32 1pn0 h GLN 409 CO -0.11 0.77 0.15 0.00 -2.65 0.00 0.00 178.83 177.00 1pn0 h ALA 410 N 1.21 1.09 -0.16 3.38 0.00 -0.53 0.23 119.26 124.49 1pn0 h ALA 410 Ca 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pn0 h ALA 410 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1pn0 h ALA 410 CO -0.04 0.61 0.09 1.25 0.00 0.00 0.00 179.25 181.15 1pn0 h LEU 411 N 0.94 0.20 -0.64 0.00 5.85 -0.50 -0.16 115.31 121.00 1pn0 h LEU 411 Ca 0.20 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1pn0 h LEU 411 Cb 0.33 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1pn0 h LEU 411 CO -0.00 0.21 0.29 0.40 -0.34 0.00 0.00 178.44 179.00 1pn0 h ILE 412 N 0.16 1.23 -0.55 4.05 5.03 -0.81 0.50 117.51 127.12 1pn0 h ILE 412 Ca 0.06 -0.66 -0.01 0.00 -0.12 0.00 0.00 64.86 64.12 1pn0 h ILE 412 Cb 0.06 0.47 -0.03 0.00 -3.03 0.00 0.00 36.82 34.29 1pn0 h ILE 412 CO -0.01 0.27 0.30 0.44 -0.68 0.00 0.00 178.15 178.47 1pn0 h ASP 413 N 0.89 0.69 0.08 1.72 3.32 -0.78 0.27 116.42 122.62 1pn0 h ASP 413 Ca 0.22 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1pn0 h ASP 413 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1pn0 h ASP 413 CO -0.02 0.58 -0.08 0.15 -1.72 0.00 0.00 179.24 178.15 1pn0 h PHE 414 N 0.74 -0.19 -0.29 4.55 3.57 -0.73 -3.07 116.94 121.51 1pn0 h PHE 414 Ca 0.19 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1pn0 h PHE 414 Cb 0.04 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1pn0 h PHE 414 CO -0.01 -0.12 -0.23 0.22 -2.23 0.00 0.00 178.31 175.94 1pn0 h ASP 415 N -0.17 0.56 -0.48 0.41 3.58 -0.61 -1.85 116.42 117.85 1pn0 h ASP 415 Ca 0.00 -0.19 0.09 0.00 0.42 0.00 0.00 57.03 57.36 1pn0 h ASP 415 Cb 0.16 -0.15 -0.08 0.00 1.72 0.00 0.00 39.33 40.98 1pn0 h ASP 415 CO -0.02 0.79 -0.04 -0.74 -2.88 0.00 0.00 179.24 176.35 1pn0 h HIS 416 N 0.49 -0.11 0.03 0.28 2.76 -0.37 -0.20 115.15 118.04 1pn0 h HIS 416 Ca 0.07 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1pn0 h HIS 416 Cb 0.67 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1pn0 h HIS 416 CO 0.03 -0.14 -0.01 0.37 -1.30 0.00 0.00 177.93 176.87 1pn0 h GLN 417 N 0.07 -0.03 -0.51 5.26 4.15 -1.45 -3.22 115.11 119.38 1pn0 h GLN 417 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1pn0 h GLN 417 Cb 0.36 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1pn0 h GLN 417 CO -0.43 0.58 0.33 0.35 -1.93 0.00 0.00 178.83 177.72 1pn0 h PHE 418 N -0.68 0.66 -0.65 3.99 3.57 -1.19 -0.94 116.94 121.70 1pn0 h PHE 418 Ca -0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1pn0 h PHE 418 Cb 0.63 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1pn0 h PHE 418 CO 0.14 0.44 0.29 0.66 -2.23 0.00 0.00 178.31 177.61 1pn0 h SER 419 N 0.69 0.84 -0.24 0.41 4.64 -1.18 -0.61 113.55 118.11 1pn0 h SER 419 Ca 0.19 -0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 1pn0 h SER 419 Cb -0.05 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 1pn0 h SER 419 CO -0.04 0.73 -0.58 0.03 -0.87 0.00 0.00 176.83 176.11 1pn0 h ARG 420 N 0.92 0.82 -0.76 4.77 3.08 -1.44 -1.22 114.38 120.56 1pn0 h ARG 420 Ca 0.22 -0.56 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1pn0 h ARG 420 Cb 0.13 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1pn0 h ARG 420 CO -0.03 1.19 0.33 -0.07 -1.07 0.00 0.00 179.97 180.32 1pn0 h LEU 421 N 0.58 1.02 -1.04 3.04 3.38 -0.95 -1.54 115.31 119.81 1pn0 h LEU 421 Ca -0.00 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1pn0 h LEU 421 Cb 1.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1pn0 h LEU 421 CO 0.13 0.88 -0.42 0.15 0.09 0.00 0.00 178.44 179.27 1pn0 h PHE 422 N 1.10 0.15 -0.00 1.13 3.04 -0.97 -3.17 116.94 118.22 1pn0 h PHE 422 Ca 0.26 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.17 1pn0 h PHE 422 Cb 0.16 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1pn0 h PHE 422 CO 0.02 0.53 -0.50 0.43 -2.02 0.00 0.00 178.31 176.76 1pn0 n SER 423 N -4.03 0.98 -4.90 0.41 7.64 -0.47 -4.60 113.62 108.64 1pn0 n SER 423 Ca -0.02 -0.77 -0.28 0.00 1.01 0.00 0.00 58.87 58.81 1pn0 n SER 423 Cb 0.47 0.37 0.02 0.00 -1.01 0.00 0.00 64.21 64.06 1pn0 n SER 423 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1pn0 s GLY 424 N -2.76 1.58 0.12 0.23 0.00 -0.62 -4.85 107.32 101.03 1pn0 s GLY 424 Ca 0.16 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 1pn0 s GLY 424 CO 0.65 -0.27 1.05 -1.60 0.00 0.00 0.00 173.10 172.94 1pn0 s ARG 425 N -4.98 4.60 0.33 2.90 3.52 -1.26 -4.81 118.95 119.25 1pn0 s ARG 425 Ca 0.53 1.60 -0.29 0.00 -0.13 0.00 0.00 55.73 57.44 1pn0 s ARG 425 Cb -0.11 -3.34 -0.10 0.00 -1.56 0.00 0.00 34.95 29.84 1pn0 s ARG 425 CO 0.47 0.06 1.31 -1.25 -0.81 0.00 0.00 175.30 175.08 1pn0 s PRO 426 N 0.10 4.35 0.26 5.12 0.04 -1.26 0.33 135.00 143.94 1pn0 s PRO 426 Ca 0.50 2.22 -0.31 0.00 0.04 0.00 0.00 61.00 63.46 1pn0 s PRO 426 Cb -0.26 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.09 1pn0 s PRO 426 CO 0.32 -0.20 1.60 0.00 0.04 0.00 0.00 177.00 178.76 1pn0 s ALA 427 N -1.10 3.78 -0.10 8.56 0.00 -0.19 -4.56 121.76 128.16 1pn0 s ALA 427 Ca 0.49 1.53 0.16 0.00 0.00 0.00 0.00 51.96 54.14 1pn0 s ALA 427 Cb -0.40 -3.65 0.21 0.00 0.00 0.00 0.00 23.12 19.28 1pn0 s ALA 427 CO 0.53 -0.92 1.51 0.87 0.00 0.00 0.00 175.76 177.74 1pn0 h LYS 428 N 5.50 0.00 0.00 0.00 1.57 -1.92 -3.48 116.57 118.25 1pn0 h LYS 428 Ca -0.46 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 1pn0 h LYS 428 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1pn0 h LYS 428 CO 0.84 0.47 0.05 -0.40 -0.57 0.00 0.00 179.45 179.84 1pn0 n ASP 429 N -3.27 -1.03 0.20 0.86 5.68 -1.26 -4.98 116.55 112.74 1pn0 n ASP 429 Ca 0.02 -1.94 0.04 0.00 -0.50 0.00 0.00 54.79 52.40 1pn0 n ASP 429 Cb 0.68 1.78 0.42 0.00 -1.14 0.00 0.00 41.12 42.87 1pn0 n ASP 429 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1pn0 h VAL 430 N 1.55 1.20 -0.17 2.12 2.07 -2.03 -2.64 116.25 118.34 1pn0 h VAL 430 Ca -0.17 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1pn0 h VAL 430 Cb 0.66 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1pn0 h VAL 430 CO 0.22 0.28 0.00 0.00 0.02 0.00 0.00 177.57 178.09 1pn0 n ALA 431 N -2.49 2.52 -1.82 1.67 0.00 -1.26 -4.64 120.51 114.49 1pn0 n ALA 431 Ca -0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1pn0 n ALA 431 Cb 0.33 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 1pn0 n ALA 431 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pn0 n ASP 432 N 0.40 4.52 0.30 0.00 -0.08 -1.00 -4.74 116.55 115.95 1pn0 n ASP 432 Ca 0.16 -2.88 0.16 0.00 -1.51 0.00 0.00 54.79 50.72 1pn0 n ASP 432 Cb 0.35 -1.61 0.94 0.00 2.34 0.00 0.00 41.12 43.14 1pn0 n ASP 432 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1pn0 h GLU 433 N 5.85 0.00 0.00 -0.67 4.81 -1.87 0.27 114.58 122.98 1pn0 h GLU 433 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1pn0 h GLU 433 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1pn0 h GLU 433 CO 1.83 0.01 0.00 -0.12 -0.73 0.00 0.00 179.01 179.99 1pn0 n MET 434 N -3.76 0.41 -3.85 1.92 1.56 -1.26 -4.81 117.12 107.33 1pn0 n MET 434 Ca -0.03 0.04 -0.22 0.00 -0.27 0.00 0.00 57.70 57.22 1pn0 n MET 434 Cb 0.09 -1.50 -0.05 0.00 2.15 0.00 0.00 33.22 33.91 1pn0 n MET 434 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1pn0 s GLY 435 N -2.53 2.03 -0.12 -5.12 0.00 0.08 -4.71 107.32 96.95 1pn0 s GLY 435 Ca 0.26 -1.85 -0.16 0.00 0.00 0.00 0.00 44.72 42.97 1pn0 s GLY 435 CO 0.39 -1.72 0.40 0.14 0.00 0.00 0.00 173.10 172.32 1pn0 s VAL 436 N -2.44 5.22 0.06 1.40 1.01 0.15 -4.49 120.40 121.31 1pn0 s VAL 436 Ca 0.43 0.78 -0.31 0.00 0.00 0.00 0.00 61.98 62.88 1pn0 s VAL 436 Cb -0.03 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1pn0 s VAL 436 CO 0.25 0.37 1.39 -0.55 0.00 0.00 0.00 175.10 176.57 1pn0 s SER 437 N 0.40 6.85 0.35 3.32 0.15 -1.26 -1.02 113.70 122.48 1pn0 s SER 437 Ca 0.22 2.22 0.15 0.00 0.70 0.00 0.00 55.95 59.23 1pn0 s SER 437 Cb -0.14 -2.57 0.61 0.00 -1.71 0.00 0.00 66.02 62.21 1pn0 s SER 437 CO 0.08 -0.68 1.73 0.24 1.20 0.00 0.00 173.24 175.81 1pn0 h MET 438 N 7.33 0.00 -0.35 5.44 2.86 -1.96 -1.16 114.93 127.08 1pn0 h MET 438 Ca -0.40 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.19 1pn0 h MET 438 Cb 1.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1pn0 h MET 438 CO 0.88 0.45 0.04 -0.44 1.06 0.00 0.00 176.91 178.90 1pn0 h ASP 439 N 0.00 0.57 -0.80 1.22 3.32 -2.00 -0.80 116.42 117.94 1pn0 h ASP 439 Ca -0.00 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 1pn0 h ASP 439 Cb 0.88 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1pn0 h ASP 439 CO 0.06 0.70 0.32 0.58 -1.72 0.00 0.00 179.24 179.18 1pn0 h VAL 440 N 0.42 1.26 -0.27 -1.35 2.07 -1.88 -1.91 116.25 114.61 1pn0 h VAL 440 Ca 0.11 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1pn0 h VAL 440 Cb 0.38 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1pn0 h VAL 440 CO 0.01 0.34 0.10 0.15 0.02 0.00 0.00 177.57 178.19 1pn0 h PHE 441 N 1.17 0.41 -0.35 1.57 3.57 -1.04 0.18 116.94 122.45 1pn0 h PHE 441 Ca 0.27 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.77 1pn0 h PHE 441 Cb 0.22 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1pn0 h PHE 441 CO 0.02 0.43 0.16 -0.22 -2.23 0.00 0.00 178.31 176.46 1pn0 h LYS 442 N 0.28 0.32 -0.32 1.11 3.64 -0.95 0.13 116.57 120.78 1pn0 h LYS 442 Ca 0.09 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1pn0 h LYS 442 Cb 0.19 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1pn0 h LYS 442 CO -0.01 0.21 0.05 0.93 -2.27 0.00 0.00 179.45 178.37 1pn0 h GLU 443 N 0.33 0.16 -0.31 1.90 5.08 -1.09 0.37 114.58 121.02 1pn0 h GLU 443 Ca 0.15 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1pn0 h GLU 443 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1pn0 h GLU 443 CO -0.12 0.11 0.02 0.00 -1.00 0.00 0.00 179.01 178.01 1pn0 h ALA 444 N 1.24 1.46 -0.08 3.43 0.00 -0.47 -0.44 119.26 124.40 1pn0 h ALA 444 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pn0 h ALA 444 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pn0 h ALA 444 CO -0.21 0.39 -0.02 0.35 0.00 0.00 0.00 179.25 179.76 1pn0 h PHE 445 N 0.46 0.19 -0.03 0.00 3.04 0.09 0.23 116.94 120.91 1pn0 h PHE 445 Ca 0.10 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1pn0 h PHE 445 Cb 0.26 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 1pn0 h PHE 445 CO 0.01 0.49 0.02 0.28 -2.02 0.00 0.00 178.31 177.09 1pn0 h VAL 446 N -0.17 1.03 -0.67 1.41 2.07 -0.63 0.19 116.25 119.48 1pn0 h VAL 446 Ca 0.02 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1pn0 h VAL 446 Cb 0.44 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1pn0 h VAL 446 CO 0.01 0.03 0.31 0.50 0.02 0.00 0.00 177.57 178.43 1pn0 h LYS 447 N 0.00 0.97 -0.45 1.57 3.64 -1.13 -2.56 116.57 118.61 1pn0 h LYS 447 Ca 0.01 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1pn0 h LYS 447 Cb 0.03 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1pn0 h LYS 447 CO -0.00 0.78 0.30 0.78 -2.27 0.00 0.00 179.45 179.04 1pn0 h GLY 448 N 0.93 0.55 2.00 5.01 0.00 -0.14 -1.88 103.07 109.55 1pn0 h GLY 448 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1pn0 h GLY 448 CO -0.03 0.17 -0.17 3.43 0.00 0.00 0.00 176.54 179.94 1pn0 h ASN 449 N 0.49 0.00 0.07 0.19 -0.26 -0.53 0.44 115.58 115.98 1pn0 h ASN 449 Ca 0.18 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1pn0 h ASN 449 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1pn0 h ASN 449 CO -0.04 0.17 -0.03 -0.08 -1.06 0.00 0.00 177.43 176.38 1pn0 h GLU 450 N 0.00 -0.09 -0.26 0.81 4.81 -1.37 -2.75 114.58 115.72 1pn0 h GLU 450 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1pn0 h GLU 450 Cb 0.38 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1pn0 h GLU 450 CO 0.02 0.38 0.17 0.35 -0.73 0.00 0.00 179.01 179.20 1pn0 h PHE 451 N -0.61 0.32 0.00 0.92 3.57 -1.34 -2.88 116.94 116.92 1pn0 h PHE 451 Ca -0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pn0 h PHE 451 Cb 0.51 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1pn0 h PHE 451 CO 0.09 0.20 -0.00 0.00 -2.23 0.00 0.00 178.31 176.36 1pn0 h ALA 452 N 1.10 1.86 -0.00 2.41 0.00 -0.21 -1.23 119.26 123.19 1pn0 h ALA 452 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pn0 h ALA 452 Cb -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pn0 h ALA 452 CO -0.03 0.01 0.02 0.66 0.00 0.00 0.00 179.25 179.90 1pn0 h SER 453 N 0.00 0.00 0.00 0.00 4.64 -1.25 -3.45 113.55 113.49 1pn0 h SER 453 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pn0 h SER 453 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1pn0 h SER 453 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1pn0 n GLY 454 N -1.11 0.57 0.37 -0.77 0.00 -0.47 -1.55 105.19 102.23 1pn0 n GLY 454 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1pn0 n GLY 454 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pn0 n THR 455 N -2.27 0.00 0.71 2.61 -2.24 -1.26 -4.23 114.28 107.60 1pn0 n THR 455 Ca 0.00 -0.19 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1pn0 n THR 455 Cb 0.06 0.86 0.25 0.00 -2.10 0.00 0.00 70.33 69.39 1pn0 n THR 455 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pn0 n ALA 456 N -0.36 2.46 -1.73 6.98 0.00 -1.26 -4.71 120.51 121.88 1pn0 n ALA 456 Ca 0.10 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 1pn0 n ALA 456 Cb 0.41 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 1pn0 n ALA 456 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1pn0 n ILE 457 N 1.13 1.07 -3.73 0.00 5.41 -1.26 -4.98 119.36 117.00 1pn0 n ILE 457 Ca 0.18 -0.27 -0.30 0.00 1.00 0.00 0.00 62.75 63.36 1pn0 n ILE 457 Cb 0.53 -1.87 -0.15 0.00 -0.71 0.00 0.00 39.64 37.44 1pn0 n ILE 457 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1pn0 s ASN 458 N 0.42 4.00 0.26 4.38 3.84 -1.26 -4.21 114.94 122.36 1pn0 s ASN 458 Ca 0.64 -1.72 -0.30 0.00 0.21 0.00 0.00 52.86 51.69 1pn0 s ASN 458 Cb -0.52 -0.88 -0.10 0.00 -0.55 0.00 0.00 41.25 39.20 1pn0 s ASN 458 CO 0.50 -0.40 1.38 -0.31 -2.79 0.00 0.00 177.10 175.48 1pn0 s TYR 459 N 1.52 3.07 0.63 0.43 2.02 -0.07 -4.96 117.35 119.99 1pn0 s TYR 459 Ca 0.10 1.15 -0.17 0.00 -0.37 0.00 0.00 57.07 57.79 1pn0 s TYR 459 Cb -0.18 -3.74 -0.01 0.00 -0.40 0.00 0.00 41.96 37.62 1pn0 s TYR 459 CO -0.23 -2.32 1.17 -0.51 -1.57 0.00 0.00 175.55 172.08 1pn0 s ASP 460 N 0.16 5.05 0.19 2.29 1.01 -1.26 -4.57 116.67 119.54 1pn0 s ASP 460 Ca 0.56 2.23 -0.32 0.00 0.71 0.00 0.00 52.55 55.74 1pn0 s ASP 460 Cb -0.40 -2.58 -0.15 0.00 1.01 0.00 0.00 42.92 40.79 1pn0 s ASP 460 CO 0.44 -1.68 1.12 1.21 0.21 0.00 0.00 175.17 176.48 1pn0 n GLU 461 N -2.02 1.16 -0.92 8.23 2.13 -1.26 -4.87 120.64 123.10 1pn0 n GLU 461 Ca 0.12 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1pn0 n GLU 461 Cb 0.51 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.34 1pn0 n GLU 461 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1pn0 n ASN 462 N 1.89 0.00 -0.17 4.31 0.23 -0.70 -4.97 115.26 115.86 1pn0 n ASN 462 Ca 0.14 -0.91 0.11 0.00 -0.53 0.00 0.00 54.58 53.40 1pn0 n ASN 462 Cb 0.26 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.39 1pn0 n ASN 462 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1pn0 h LEU 463 N 0.00 0.51 -3.17 -4.53 5.85 -1.95 -1.83 115.31 110.20 1pn0 h LEU 463 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1pn0 h LEU 463 Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1pn0 h LEU 463 CO 0.00 0.30 0.00 1.33 -0.34 0.00 0.00 178.44 179.73 1pn0 n VAL 464 N -4.49 1.90 -3.51 1.05 0.24 -1.26 -4.85 118.33 107.41 1pn0 n VAL 464 Ca 0.13 -1.41 -0.27 0.00 -2.04 0.00 0.00 64.34 60.75 1pn0 n VAL 464 Cb 0.39 0.04 -0.14 0.00 -1.47 0.00 0.00 33.84 32.66 1pn0 n VAL 464 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1pn0 s THR 465 N -2.08 -0.13 -0.71 3.34 2.01 -0.69 -4.75 115.64 112.63 1pn0 s THR 465 Ca 0.42 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 1pn0 s THR 465 Cb 0.30 -0.98 0.18 0.00 0.01 0.00 0.00 72.50 72.01 1pn0 s THR 465 CO 0.16 -0.68 0.59 -0.62 -0.69 0.00 0.00 174.62 173.39 1pn0 s ASP 466 N 2.15 6.06 0.02 3.53 -1.08 -0.46 -1.72 116.67 125.16 1pn0 s ASP 466 Ca 0.09 -2.65 -0.13 0.00 -0.52 0.00 0.00 52.55 49.34 1pn0 s ASP 466 Cb -0.16 -2.05 -0.34 0.00 -1.46 0.00 0.00 42.92 38.91 1pn0 s ASP 466 CO -0.36 -0.52 0.94 0.11 0.52 0.00 0.00 175.17 175.86 1pn0 h LYS 467 N 7.59 0.48 -0.47 4.34 1.57 -1.93 -3.34 116.57 124.81 1pn0 h LYS 467 Ca 0.02 -0.82 -0.00 0.00 -1.87 0.00 0.00 60.65 57.98 1pn0 h LYS 467 Cb 1.01 0.30 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1pn0 h LYS 467 CO 0.76 1.39 0.29 0.87 -0.57 0.00 0.00 179.45 182.18 1pn0 h LYS 468 N 0.13 0.63 -0.01 3.15 1.57 -1.97 -2.26 116.57 117.80 1pn0 h LYS 468 Ca -0.26 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1pn0 h LYS 468 Cb 2.14 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.31 1pn0 h LYS 468 CO 0.25 0.44 -0.20 0.43 -0.57 0.00 0.00 179.45 179.79 1pn0 n SER 469 N -4.44 1.59 -4.86 0.86 7.64 -1.26 -4.93 113.62 108.22 1pn0 n SER 469 Ca 0.04 -1.31 -0.31 0.00 1.01 0.00 0.00 58.87 58.30 1pn0 n SER 469 Cb 0.07 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.38 1pn0 n SER 469 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pn0 s SER 470 N -2.31 6.64 -0.90 6.43 0.01 -0.85 -4.92 113.70 117.81 1pn0 s SER 470 Ca 0.27 1.26 -0.02 0.00 1.31 0.00 0.00 55.95 58.77 1pn0 s SER 470 Cb 0.20 -2.37 0.22 0.00 0.21 0.00 0.00 66.02 64.28 1pn0 s SER 470 CO 0.46 -0.35 0.79 -0.54 0.41 0.00 0.00 173.24 174.01 1pn0 s LYS 471 N -3.52 3.31 0.55 12.44 1.02 0.41 -4.94 119.74 129.01 1pn0 s LYS 471 Ca 0.54 -3.25 0.22 0.00 0.02 0.00 0.00 55.97 53.50 1pn0 s LYS 471 Cb -0.10 -3.99 1.50 0.00 -0.52 0.00 0.00 37.83 34.72 1pn0 s LYS 471 CO 0.25 -1.26 2.19 0.37 -0.92 0.00 0.00 175.35 175.99 1pn0 h GLN 472 N 6.10 0.00 0.00 1.68 5.75 -1.92 -1.80 115.11 124.92 1pn0 h GLN 472 Ca 0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1pn0 h GLN 472 Cb 0.82 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.37 1pn0 h GLN 472 CO 0.86 0.00 0.00 -0.85 -2.65 0.00 0.00 178.83 176.19 1pn0 n GLU 473 N -4.25 0.14 0.21 1.69 0.00 -1.26 -1.98 120.64 115.20 1pn0 n GLU 473 Ca -0.03 0.53 0.11 0.00 0.00 0.00 0.00 57.16 57.77 1pn0 n GLU 473 Cb 0.09 -1.87 0.20 0.00 0.00 0.00 0.00 31.44 29.86 1pn0 n GLU 473 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1pn0 h LEU 474 N 0.00 0.00 -6.01 -1.84 3.38 -1.61 -3.37 115.31 105.86 1pn0 h LEU 474 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1pn0 h LEU 474 Cb 0.14 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.55 1pn0 h LEU 474 CO 0.00 0.08 -0.92 0.00 0.09 0.00 0.00 178.44 177.69 1pn0 n ALA 475 N -2.12 1.87 0.27 1.53 0.00 -0.83 -4.17 120.51 117.04 1pn0 n ALA 475 Ca 0.03 -2.80 0.11 0.00 0.00 0.00 0.00 53.44 50.77 1pn0 n ALA 475 Cb 0.54 -0.90 0.72 0.00 0.00 0.00 0.00 19.45 19.81 1pn0 n ALA 475 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1pn0 h LYS 476 N 5.02 0.00 -0.50 0.00 1.57 -1.11 -0.75 116.57 120.81 1pn0 h LYS 476 Ca 0.16 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.72 1pn0 h LYS 476 Cb 0.94 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.11 1pn0 h LYS 476 CO 0.34 0.06 0.11 0.09 -0.57 0.00 0.00 179.45 179.48 1pn0 n ASN 477 N -4.13 3.10 -3.27 0.86 3.02 -0.71 -4.47 115.26 109.66 1pn0 n ASN 477 Ca -0.03 -3.60 -0.25 0.00 -0.03 0.00 0.00 54.58 50.67 1pn0 n ASN 477 Cb 0.14 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.57 1pn0 n ASN 477 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pn0 s VAL 479 N -2.30 3.85 0.24 0.00 1.01 -1.26 -4.91 120.40 117.04 1pn0 s VAL 479 Ca 0.39 1.30 -0.31 0.00 0.00 0.00 0.00 61.98 63.36 1pn0 s VAL 479 Cb 0.19 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.61 1pn0 s VAL 479 CO -0.06 0.07 1.58 0.52 0.00 0.00 0.00 175.10 177.20 1pn0 n VAL 480 N 4.16 0.63 0.00 2.92 0.31 -1.26 -1.37 118.33 123.72 1pn0 n VAL 480 Ca 0.10 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1pn0 n VAL 480 Cb 0.45 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1pn0 n VAL 480 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pn0 n GLY 481 N 2.74 1.78 3.92 2.92 0.00 0.08 -4.82 105.19 111.80 1pn0 n GLY 481 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1pn0 n GLY 481 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pn0 s THR 482 N -2.45 3.69 0.41 2.61 -4.23 -0.47 -0.89 115.64 114.31 1pn0 s THR 482 Ca 0.00 -1.19 -0.25 0.00 -1.18 0.00 0.00 61.69 59.07 1pn0 s THR 482 Cb 0.00 -3.26 -0.08 0.00 1.34 0.00 0.00 72.50 70.49 1pn0 s THR 482 CO 0.00 -0.15 1.19 0.00 -0.54 0.00 0.00 174.62 175.13 1pn0 s ARG 483 N -4.10 4.00 -0.42 3.99 1.04 -1.26 -1.29 118.95 120.91 1pn0 s ARG 483 Ca 0.44 1.89 -0.29 0.00 -1.04 0.00 0.00 55.73 56.73 1pn0 s ARG 483 Cb -0.07 -2.66 0.01 0.00 -2.04 0.00 0.00 34.95 30.19 1pn0 s ARG 483 CO 0.29 -0.38 1.42 0.12 -0.04 0.00 0.00 175.30 176.70 1pn0 s PHE 484 N -1.40 2.38 0.11 5.89 5.36 0.40 -4.74 117.98 125.98 1pn0 s PHE 484 Ca 0.58 0.66 -0.30 0.00 -0.96 0.00 0.00 56.93 56.91 1pn0 s PHE 484 Cb -0.32 -4.32 -0.06 0.00 -0.34 0.00 0.00 43.02 37.99 1pn0 s PHE 484 CO 0.40 -1.99 1.05 0.21 -1.46 0.00 0.00 175.22 173.42 1pn0 s LYS 485 N 4.99 4.60 0.41 10.12 2.20 -1.26 -4.98 119.74 135.82 1pn0 s LYS 485 Ca 0.61 1.58 -0.26 0.00 -0.36 0.00 0.00 55.97 57.55 1pn0 s LYS 485 Cb -0.13 -3.35 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 1pn0 s LYS 485 CO 0.32 0.05 1.34 0.45 -0.36 0.00 0.00 175.35 177.15 1pn0 s SER 486 N 0.30 6.24 0.05 1.43 0.15 -1.26 -4.91 113.70 115.70 1pn0 s SER 486 Ca 0.50 2.72 0.02 0.00 0.70 0.00 0.00 55.95 59.90 1pn0 s SER 486 Cb -0.26 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.38 1pn0 s SER 486 CO 0.31 -0.91 -0.08 -1.10 1.20 0.00 0.00 173.24 172.67 1pn0 s GLN 487 N -2.26 0.55 0.42 5.44 -1.52 -1.26 -4.91 119.66 116.12 1pn0 s GLN 487 Ca 0.57 -0.81 -0.26 0.00 -1.95 0.00 0.00 55.36 52.91 1pn0 s GLN 487 Cb -0.40 -0.28 -0.08 0.00 -0.22 0.00 0.00 33.01 32.03 1pn0 s GLN 487 CO 0.51 0.04 1.33 -2.14 -0.25 0.00 0.00 175.29 174.79 1pn0 s PRO 488 N -1.80 3.88 0.22 2.91 0.02 -1.26 -1.47 135.00 137.49 1pn0 s PRO 488 Ca -0.08 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 1pn0 s PRO 488 Cb -0.08 -2.72 -0.03 0.00 0.02 0.00 0.00 34.50 31.69 1pn0 s PRO 488 CO -0.00 -0.59 0.20 0.14 -0.33 0.00 0.00 177.00 176.42 1pn0 s VAL 489 N -1.25 0.00 -0.22 3.83 -7.23 -0.12 -4.67 120.40 110.73 1pn0 s VAL 489 Ca 0.58 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1pn0 s VAL 489 Cb -0.39 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.09 1pn0 s VAL 489 CO 0.50 0.00 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.53 1pn0 s VAL 490 N -4.07 3.01 0.10 1.32 1.01 0.29 -1.08 120.40 120.98 1pn0 s VAL 490 Ca 0.37 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1pn0 s VAL 490 Cb 0.05 -2.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.96 1pn0 s VAL 490 CO 0.13 0.39 1.54 -0.60 0.00 0.00 0.00 175.10 176.55 1pn0 s ARG 491 N 1.41 4.24 0.23 2.72 3.52 0.52 0.02 118.95 131.61 1pn0 s ARG 491 Ca 0.04 2.24 -0.05 0.00 -0.13 0.00 0.00 55.73 57.83 1pn0 s ARG 491 Cb -0.15 -3.36 0.22 0.00 -1.56 0.00 0.00 34.95 30.10 1pn0 s ARG 491 CO -0.05 -0.60 1.74 1.25 -0.81 0.00 0.00 175.30 176.82 1pn0 h HIS 492 N 7.40 1.04 -0.42 5.12 -0.00 -1.56 0.12 115.15 126.85 1pn0 h HIS 492 Ca -0.42 -0.13 0.07 0.00 -0.00 0.00 0.00 60.37 59.89 1pn0 h HIS 492 Cb 1.20 -0.29 -0.06 0.00 -0.00 0.00 0.00 27.41 28.26 1pn0 h HIS 492 CO 0.70 0.88 0.05 0.66 -0.00 0.00 0.00 177.93 180.22 1pn0 h SER 493 N 0.93 -0.07 0.00 3.26 4.64 -1.83 -3.29 113.55 117.19 1pn0 h SER 493 Ca 0.19 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1pn0 h SER 493 Cb 0.40 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1pn0 h SER 493 CO 0.01 -0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.13 1pn0 n GLU 494 N -5.14 1.80 -1.54 4.77 0.00 -1.24 -5.02 120.64 114.26 1pn0 n GLU 494 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 57.16 56.95 1pn0 n GLU 494 Cb 0.21 -0.70 0.00 0.00 0.00 0.00 0.00 31.44 30.95 1pn0 n GLU 494 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pn0 n GLY 495 N 0.33 0.57 3.66 -1.84 0.00 0.41 -5.03 105.19 103.29 1pn0 n GLY 495 Ca 0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1pn0 n GLY 495 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pn0 s LEU 496 N 0.00 4.17 0.11 0.99 2.96 -1.19 -4.73 118.68 121.00 1pn0 s LEU 496 Ca 0.00 1.71 -0.30 0.00 -0.22 0.00 0.00 54.13 55.31 1pn0 s LEU 496 Cb 0.00 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 1pn0 s LEU 496 CO 0.00 -0.80 1.23 0.86 -1.32 0.00 0.00 176.35 176.32 1pn0 s TRP 497 N 3.62 3.41 0.06 5.38 -0.00 -1.26 -0.35 118.94 129.79 1pn0 s TRP 497 Ca 0.57 1.29 -0.23 0.00 -0.00 0.00 0.00 56.10 57.73 1pn0 s TRP 497 Cb -0.22 -3.46 0.06 0.00 -0.00 0.00 0.00 33.47 29.84 1pn0 s TRP 497 CO 0.16 -1.41 0.55 0.00 -0.00 0.00 0.00 176.95 176.25 1pn0 s MET 498 N 0.61 1.08 -0.14 5.86 0.23 -0.24 -4.97 119.30 121.74 1pn0 s MET 498 Ca 0.57 -0.24 -0.29 0.00 -1.03 0.00 0.00 55.69 54.70 1pn0 s MET 498 Cb -0.32 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 1pn0 s MET 498 CO 0.32 -0.40 1.34 -1.01 -2.03 0.00 0.00 175.02 173.24 1pn0 s HIS 499 N -2.58 2.68 0.47 3.16 3.76 -1.26 -0.95 115.29 120.57 1pn0 s HIS 499 Ca -0.04 0.84 0.15 0.00 -0.15 0.00 0.00 55.06 55.86 1pn0 s HIS 499 Cb -0.01 -3.59 1.13 0.00 1.11 0.00 0.00 32.58 31.23 1pn0 s HIS 499 CO -0.03 -2.14 2.05 0.35 -0.85 0.00 0.00 174.74 174.12 1pn0 h PHE 500 N 8.44 0.24 -0.30 1.40 3.57 -1.59 -1.44 116.94 127.26 1pn0 h PHE 500 Ca -0.30 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.30 1pn0 h PHE 500 Cb 1.12 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1pn0 h PHE 500 CO 0.81 0.13 0.27 0.78 -2.23 0.00 0.00 178.31 178.08 1pn0 h GLY 501 N 0.24 0.00 2.00 2.40 0.00 -1.91 0.23 103.07 106.04 1pn0 h GLY 501 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1pn0 h GLY 501 CO -0.03 0.00 -0.07 -0.55 0.00 0.00 0.00 176.54 175.89 1pn0 h ASP 502 N 0.00 0.00 1.65 0.19 3.32 -1.66 -1.73 116.42 118.19 1pn0 h ASP 502 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1pn0 h ASP 502 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1pn0 h ASP 502 CO -0.00 0.07 0.00 -0.09 -1.72 0.00 0.00 179.24 177.50 1pn0 h ARG 503 N 0.00 0.00 -2.53 3.56 9.65 -1.11 -3.37 114.38 120.59 1pn0 h ARG 503 Ca -0.00 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.25 1pn0 h ARG 503 Cb 0.17 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.66 1pn0 h ARG 503 CO 0.01 0.00 2.09 1.28 2.80 0.00 0.00 179.97 186.15 1pn0 n LEU 504 N -2.88 7.65 -4.69 3.80 4.77 -0.65 -4.96 117.00 120.04 1pn0 n LEU 504 Ca 0.04 -4.45 -0.44 0.00 -0.03 0.00 0.00 56.01 51.12 1pn0 n LEU 504 Cb 0.45 -1.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 1pn0 n LEU 504 CO 0.31 1.97 1.30 0.52 -1.33 0.00 0.00 177.39 180.16 1pn0 n VAL 505 N 2.05 0.06 -2.82 4.08 0.31 -1.26 -4.79 118.33 115.96 1pn0 n VAL 505 Ca 0.62 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 64.51 1pn0 n VAL 505 Cb 0.37 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 1pn0 n VAL 505 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1pn0 s THR 506 N 1.29 4.62 0.00 2.52 2.01 0.60 -4.77 115.64 121.92 1pn0 s THR 506 Ca 0.78 1.25 0.00 0.00 0.31 0.00 0.00 61.69 64.03 1pn0 s THR 506 Cb -0.60 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 67.61 1pn0 s THR 506 CO 0.36 -0.47 0.60 -0.90 -0.69 0.00 0.00 174.62 173.53 1pn0 n ASP 507 N 6.66 0.00 0.00 3.53 5.68 -1.26 -4.79 116.55 126.36 1pn0 n ASP 507 Ca 0.07 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 1pn0 n ASP 507 Cb 0.48 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1pn0 n ASP 507 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pn0 n GLY 508 N 0.00 0.36 3.80 6.12 0.00 -1.26 -4.94 105.19 109.27 1pn0 n GLY 508 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1pn0 n GLY 508 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pn0 s ARG 509 N -0.98 4.39 0.54 1.61 0.52 -1.26 -4.81 118.95 118.95 1pn0 s ARG 509 Ca 0.00 1.01 -0.09 0.00 -0.52 0.00 0.00 55.73 56.14 1pn0 s ARG 509 Cb 0.00 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1pn0 s ARG 509 CO 0.00 0.43 0.90 -0.06 0.02 0.00 0.00 175.30 176.60 1pn0 s PHE 510 N -1.42 3.58 0.07 -0.53 0.40 -1.09 -3.62 117.98 115.37 1pn0 s PHE 510 Ca 0.42 1.08 0.09 0.00 -0.60 0.00 0.00 56.93 57.91 1pn0 s PHE 510 Cb -0.19 -2.52 -0.03 0.00 0.51 0.00 0.00 43.02 40.78 1pn0 s PHE 510 CO 0.23 -0.46 -0.21 1.03 0.70 0.00 0.00 175.22 176.51 1pn0 s ARG 511 N -4.84 1.85 -0.29 0.44 3.00 0.08 -0.98 118.95 118.20 1pn0 s ARG 511 Ca 0.52 -1.11 -0.04 0.00 0.00 0.00 0.00 55.73 55.10 1pn0 s ARG 511 Cb -0.11 -2.08 0.03 0.00 0.00 0.00 0.00 34.95 32.80 1pn0 s ARG 511 CO 0.47 0.51 0.02 0.42 0.00 0.00 0.00 175.30 176.72 1pn0 s ILE 512 N -0.96 3.34 -0.36 1.52 1.01 -0.27 -1.03 121.20 124.46 1pn0 s ILE 512 Ca 0.14 -1.07 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 1pn0 s ILE 512 Cb -0.10 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1pn0 s ILE 512 CO 0.05 0.01 0.57 -0.63 0.00 0.00 0.00 174.94 174.94 1pn0 s ILE 513 N 1.36 4.96 -0.53 2.92 -1.09 1.00 -1.13 121.20 128.68 1pn0 s ILE 513 Ca -0.01 0.43 -0.19 0.00 -2.23 0.00 0.00 60.65 58.65 1pn0 s ILE 513 Cb -0.18 -4.02 0.07 0.00 -1.58 0.00 0.00 42.46 36.75 1pn0 s ILE 513 CO -0.00 -0.27 0.65 -0.69 -1.23 0.00 0.00 174.94 173.39 1pn0 s VAL 514 N 2.53 4.87 -0.89 2.92 1.01 0.14 -1.16 120.40 129.82 1pn0 s VAL 514 Ca 0.21 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 1pn0 s VAL 514 Cb -0.15 -4.36 0.06 0.00 0.00 0.00 0.00 36.38 31.93 1pn0 s VAL 514 CO 0.14 -0.91 1.30 -0.36 0.00 0.00 0.00 175.10 175.27 1pn0 s PHE 515 N 2.62 2.58 -0.85 5.22 0.08 0.77 -0.95 117.98 127.45 1pn0 s PHE 515 Ca 0.13 -0.69 0.20 0.00 0.12 0.00 0.00 56.93 56.70 1pn0 s PHE 515 Cb -0.21 -4.57 0.84 0.00 -0.57 0.00 0.00 43.02 38.51 1pn0 s PHE 515 CO 0.10 -1.87 1.64 0.00 -0.10 0.00 0.00 175.22 174.98 1pn0 n ALA 516 N 8.50 1.84 -0.77 5.36 0.00 -0.74 -1.76 120.51 132.93 1pn0 n ALA 516 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1pn0 n ALA 516 Cb 0.50 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1pn0 n ALA 516 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn0 n GLY 517 N 0.39 1.44 3.43 0.00 0.00 -1.26 -4.12 105.19 105.06 1pn0 n GLY 517 Ca 0.04 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1pn0 n GLY 517 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pn0 n LYS 518 N 5.90 3.22 0.28 1.61 4.81 -0.37 -1.49 118.16 132.12 1pn0 n LYS 518 Ca 0.00 -3.35 0.19 0.00 -0.87 0.00 0.00 58.31 54.28 1pn0 n LYS 518 Cb 0.00 -3.34 0.94 0.00 0.02 0.00 0.00 35.03 32.65 1pn0 n LYS 518 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pn0 h ALA 519 N 7.21 1.00 0.00 3.14 0.00 -1.87 -0.62 119.26 128.11 1pn0 h ALA 519 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1pn0 h ALA 519 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pn0 h ALA 519 CO 1.47 0.00 0.00 1.79 0.00 0.00 0.00 179.25 182.51 1pn0 h THR 520 N 0.00 0.00 -3.27 0.00 1.35 -1.93 -3.38 112.91 105.68 1pn0 h THR 520 Ca 0.00 -0.50 -0.54 0.00 -0.55 0.00 0.00 66.41 64.82 1pn0 h THR 520 Cb 0.12 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1pn0 h THR 520 CO 0.00 0.00 0.50 -0.62 -0.25 0.00 0.00 175.52 175.15 1pn0 s ASP 521 N -4.97 7.21 0.20 5.36 2.15 -0.24 -4.96 116.67 121.43 1pn0 s ASP 521 Ca 0.06 1.79 -0.11 0.00 0.43 0.00 0.00 52.55 54.72 1pn0 s ASP 521 Cb 0.09 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 40.30 1pn0 s ASP 521 CO 0.53 -0.40 1.87 0.00 -0.17 0.00 0.00 175.17 177.00 1pn0 h ALA 522 N 6.93 0.91 -0.63 3.66 0.00 -1.87 0.40 119.26 128.65 1pn0 h ALA 522 Ca -0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1pn0 h ALA 522 Cb 1.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1pn0 h ALA 522 CO 0.80 0.30 0.32 1.15 0.00 0.00 0.00 179.25 181.82 1pn0 h THR 523 N 0.94 1.21 -0.50 0.00 2.02 -1.94 -1.40 112.91 113.23 1pn0 h THR 523 Ca 0.27 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 1pn0 h THR 523 Cb -0.08 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1pn0 h THR 523 CO -0.07 0.24 -0.05 -0.61 0.37 0.00 0.00 175.52 175.40 1pn0 h GLN 524 N 0.86 0.92 -0.24 6.66 5.75 -1.70 -2.68 115.11 124.68 1pn0 h GLN 524 Ca 0.22 -0.32 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 1pn0 h GLN 524 Cb 0.09 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1pn0 h GLN 524 CO -0.03 0.97 -0.03 1.98 -2.65 0.00 0.00 178.83 179.06 1pn0 h MET 525 N 0.78 0.36 -0.70 1.69 4.05 -0.74 -1.17 114.93 119.20 1pn0 h MET 525 Ca 0.14 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1pn0 h MET 525 Cb 0.59 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1pn0 h MET 525 CO 0.04 0.42 0.30 0.77 0.23 0.00 0.00 176.91 178.67 1pn0 h SER 526 N 0.35 0.92 -0.36 1.39 0.02 -0.94 0.15 113.55 115.08 1pn0 h SER 526 Ca 0.08 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1pn0 h SER 526 Cb 0.29 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1pn0 h SER 526 CO 0.01 0.80 -0.23 0.03 -1.14 0.00 0.00 176.83 176.31 1pn0 h ARG 527 N 1.00 0.86 -0.43 3.45 3.08 -1.03 -2.01 114.38 119.31 1pn0 h ARG 527 Ca 0.24 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1pn0 h ARG 527 Cb 0.16 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1pn0 h ARG 527 CO -0.02 1.00 0.14 0.82 -1.07 0.00 0.00 179.97 180.83 1pn0 h ILE 528 N 0.75 1.22 -0.88 2.04 2.04 -0.47 -1.64 117.51 120.57 1pn0 h ILE 528 Ca 0.10 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1pn0 h ILE 528 Cb 0.77 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1pn0 h ILE 528 CO 0.06 0.25 0.50 0.11 0.00 0.00 0.00 178.15 179.07 1pn0 h LYS 529 N 0.55 1.23 -0.56 2.37 1.57 -0.67 -0.51 116.57 120.54 1pn0 h LYS 529 Ca 0.14 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1pn0 h LYS 529 Cb 0.25 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1pn0 h LYS 529 CO -0.01 0.89 0.02 -0.22 -0.57 0.00 0.00 179.45 179.57 1pn0 h LYS 530 N 1.23 0.94 -0.45 3.15 3.64 -1.11 0.58 116.57 124.55 1pn0 h LYS 530 Ca 0.31 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1pn0 h LYS 530 Cb 0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1pn0 h LYS 530 CO -0.05 0.92 -0.11 0.35 -2.27 0.00 0.00 179.45 178.28 1pn0 h PHE 531 N 0.87 0.98 -0.37 1.91 3.57 -0.91 -1.56 116.94 121.44 1pn0 h PHE 531 Ca 0.17 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 1pn0 h PHE 531 Cb 0.48 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1pn0 h PHE 531 CO 0.03 0.97 -0.03 0.00 -2.23 0.00 0.00 178.31 177.05 1pn0 h ALA 532 N 0.87 1.26 -0.79 2.41 0.00 -0.72 -0.56 119.26 121.73 1pn0 h ALA 532 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1pn0 h ALA 532 Cb 0.65 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1pn0 h ALA 532 CO 0.04 0.49 0.42 0.00 0.00 0.00 0.00 179.25 180.21 1pn0 h ALA 533 N 1.41 1.01 0.07 0.00 0.00 -0.54 -0.38 119.26 120.83 1pn0 h ALA 533 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pn0 h ALA 533 Cb 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pn0 h ALA 533 CO 0.02 0.54 -0.06 -0.92 0.00 0.00 0.00 179.25 178.83 1pn0 h TYR 534 N 1.10 -0.17 -0.75 0.00 3.20 -0.43 -1.70 116.97 118.22 1pn0 h TYR 534 Ca 0.28 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.28 1pn0 h TYR 534 Cb 0.06 0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.30 1pn0 h TYR 534 CO 0.01 -0.10 0.33 -0.07 -1.64 0.00 0.00 178.16 176.68 1pn0 h LEU 535 N -0.15 0.34 -1.00 2.82 3.38 -0.50 -1.02 115.31 119.18 1pn0 h LEU 535 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pn0 h LEU 535 Cb 0.14 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1pn0 h LEU 535 CO -0.01 0.15 0.00 0.44 0.09 0.00 0.00 178.44 179.11 1pn0 h ASP 536 N 0.49 0.00 -4.14 -0.43 3.32 -0.93 -3.39 116.42 111.35 1pn0 h ASP 536 Ca 0.41 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.92 1pn0 h ASP 536 Cb 0.58 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.26 1pn0 h ASP 536 CO -0.37 0.00 0.43 -0.94 -1.72 0.00 0.00 179.24 176.64 1pn0 s SER 537 N -5.49 4.72 0.35 6.45 1.04 -0.39 -1.12 113.70 119.26 1pn0 s SER 537 Ca 0.03 2.36 0.12 0.00 0.48 0.00 0.00 55.95 58.94 1pn0 s SER 537 Cb 0.08 -2.59 0.91 0.00 0.10 0.00 0.00 66.02 64.52 1pn0 s SER 537 CO 0.54 -1.91 1.79 -0.08 0.98 0.00 0.00 173.24 174.57 1pn0 h GLU 538 N 0.29 0.57 -0.33 4.02 4.57 -1.87 -2.38 114.58 119.45 1pn0 h GLU 538 Ca -0.49 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1pn0 h GLU 538 Cb 1.30 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1pn0 h GLU 538 CO 0.53 0.38 0.00 0.09 -1.18 0.00 0.00 179.01 178.82 1pn0 n ASN 539 N -4.68 3.98 -4.70 1.04 3.02 -1.26 -4.25 115.26 108.41 1pn0 n ASN 539 Ca 0.23 -2.82 -0.29 0.00 -0.03 0.00 0.00 54.58 51.67 1pn0 n ASN 539 Cb 0.68 -0.51 0.16 0.00 -0.61 0.00 0.00 39.78 39.49 1pn0 n ASN 539 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1pn0 s SER 540 N -1.62 3.05 0.44 6.41 1.04 -0.90 -4.72 113.70 117.41 1pn0 s SER 540 Ca 0.41 1.33 0.14 0.00 0.48 0.00 0.00 55.95 58.31 1pn0 s SER 540 Cb 0.31 -2.00 0.99 0.00 0.10 0.00 0.00 66.02 65.42 1pn0 s SER 540 CO 0.11 -2.88 2.00 -0.37 0.98 0.00 0.00 173.24 173.08 1pn0 h VAL 541 N -1.72 1.13 -0.07 5.02 -1.51 -1.89 0.62 116.25 117.83 1pn0 h VAL 541 Ca -0.52 -0.59 -0.03 0.00 -1.23 0.00 0.00 66.70 64.34 1pn0 h VAL 541 Cb 1.31 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1pn0 h VAL 541 CO 0.56 0.17 -0.07 0.40 -1.23 0.00 0.00 177.57 177.40 1pn0 h ILE 542 N 0.04 1.37 -0.10 7.19 1.08 -1.91 -1.61 117.51 123.57 1pn0 h ILE 542 Ca 0.01 -1.23 -0.10 0.00 -0.39 0.00 0.00 64.86 63.15 1pn0 h ILE 542 Cb 0.30 2.04 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 1pn0 h ILE 542 CO 0.02 0.34 -0.38 0.28 -0.69 0.00 0.00 178.15 177.72 1pn0 h SER 543 N -0.27 0.21 0.62 1.72 0.02 -1.64 -2.19 113.55 112.01 1pn0 h SER 543 Ca 0.01 -0.08 -0.27 0.00 -0.84 0.00 0.00 61.79 60.61 1pn0 h SER 543 Cb 0.58 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1pn0 h SER 543 CO 0.02 0.57 -1.43 -0.09 -1.14 0.00 0.00 176.83 174.76 1pn0 h ARG 544 N 0.17 0.10 -0.02 3.45 2.43 -0.92 -1.63 114.38 117.97 1pn0 h ARG 544 Ca 0.02 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1pn0 h ARG 544 Cb 0.75 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1pn0 h ARG 544 CO 0.06 0.90 -0.09 0.66 -1.51 0.00 0.00 179.97 179.99 1pn0 n TYR 545 N -3.30 0.00 -3.21 2.20 4.01 -0.61 -4.23 117.16 112.02 1pn0 n TYR 545 Ca -0.12 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.23 1pn0 n TYR 545 Cb 1.01 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.98 1pn0 n TYR 545 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1pn0 s THR 546 N -1.33 5.08 0.60 -0.72 2.01 -0.83 -4.79 115.64 115.66 1pn0 s THR 546 Ca 0.15 1.03 -0.19 0.00 0.31 0.00 0.00 61.69 62.98 1pn0 s THR 546 Cb 0.11 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1pn0 s THR 546 CO 0.23 0.16 1.30 -2.84 -0.69 0.00 0.00 174.62 172.77 1pn0 s PRO 547 N 1.70 2.82 0.24 4.92 0.02 -1.26 -0.28 135.00 143.15 1pn0 s PRO 547 Ca 0.26 2.07 -0.31 0.00 0.02 0.00 0.00 61.00 63.04 1pn0 s PRO 547 Cb -0.16 -1.99 -0.14 0.00 0.02 0.00 0.00 34.50 32.23 1pn0 s PRO 547 CO 0.10 -1.39 1.23 1.17 -0.33 0.00 0.00 177.00 177.78 1pn0 n LYS 548 N -1.56 1.61 0.00 5.54 4.81 0.10 -1.44 118.16 127.22 1pn0 n LYS 548 Ca 0.14 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1pn0 n LYS 548 Cb 0.47 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1pn0 n LYS 548 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pn0 n GLY 549 N 1.77 2.70 3.90 3.14 0.00 -1.26 -4.90 105.19 110.54 1pn0 n GLY 549 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1pn0 n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn0 s ALA 550 N -2.64 3.59 0.26 4.61 0.00 -0.52 -5.03 121.76 122.02 1pn0 s ALA 550 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 1pn0 s ALA 550 Cb 0.00 -2.34 -0.12 0.00 0.00 0.00 0.00 23.12 20.66 1pn0 s ALA 550 CO 0.00 0.17 1.63 -3.47 0.00 0.00 0.00 175.76 174.08 1pn0 n ASP 551 N -1.10 3.83 0.00 0.00 -0.08 -1.26 -4.88 116.55 113.05 1pn0 n ASP 551 Ca -0.01 1.12 0.09 0.00 -1.51 0.00 0.00 54.79 54.48 1pn0 n ASP 551 Cb 0.54 -1.57 0.56 0.00 2.34 0.00 0.00 41.12 42.99 1pn0 n ASP 551 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1pn0 n ARG 552 N 2.76 0.64 -0.22 -0.67 1.74 -1.26 -1.37 116.66 118.29 1pn0 n ARG 552 Ca 0.11 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.25 1pn0 n ARG 552 Cb 0.36 -1.46 0.16 0.00 -1.02 0.00 0.00 32.46 30.49 1pn0 n ARG 552 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pn0 n ASN 553 N -0.96 3.01 -0.06 0.55 3.02 -1.26 -4.64 115.26 114.92 1pn0 n ASN 553 Ca 0.14 -2.39 0.13 0.00 -0.03 0.00 0.00 54.58 52.42 1pn0 n ASN 553 Cb 0.06 -0.30 0.36 0.00 -0.61 0.00 0.00 39.78 39.30 1pn0 n ASN 553 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pn0 n SER 554 N -0.12 0.54 0.01 6.41 3.41 -0.47 -4.01 113.62 119.38 1pn0 n SER 554 Ca 0.13 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1pn0 n SER 554 Cb 0.55 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1pn0 n SER 554 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pn0 n ARG 555 N -1.27 0.00 -4.44 4.33 5.12 -1.26 -4.80 116.66 114.34 1pn0 n ARG 555 Ca 0.08 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.68 1pn0 n ARG 555 Cb 0.33 -0.48 -0.16 0.00 -1.16 0.00 0.00 32.46 30.99 1pn0 n ARG 555 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1pn0 s ILE 556 N -2.00 2.00 -0.40 0.55 1.01 -1.26 -2.67 121.20 118.43 1pn0 s ILE 556 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 1pn0 s ILE 556 Cb 0.00 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1pn0 s ILE 556 CO 0.00 0.54 0.28 -0.62 0.00 0.00 0.00 174.94 175.14 1pn0 s ASP 557 N 1.02 6.06 -0.36 3.58 2.15 -0.15 -4.18 116.67 124.78 1pn0 s ASP 557 Ca -0.02 -0.86 -0.13 0.00 0.43 0.00 0.00 52.55 51.96 1pn0 s ASP 557 Cb -0.14 -2.14 -0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1pn0 s ASP 557 CO -0.06 -0.42 0.25 -0.69 -0.17 0.00 0.00 175.17 174.07 1pn0 s VAL 558 N 1.67 5.14 -0.04 1.11 1.01 -1.26 -1.12 120.40 126.92 1pn0 s VAL 558 Ca 0.05 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1pn0 s VAL 558 Cb -0.19 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1pn0 s VAL 558 CO 0.10 -0.11 -0.21 -0.63 0.00 0.00 0.00 175.10 174.24 1pn0 s ILE 559 N 1.68 1.73 -0.15 2.22 1.01 -0.28 -4.94 121.20 122.48 1pn0 s ILE 559 Ca 0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 1pn0 s ILE 559 Cb -0.18 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 1pn0 s ILE 559 CO 0.10 0.49 -0.09 -0.89 0.00 0.00 0.00 174.94 174.54 1pn0 s THR 560 N -0.27 3.32 -0.20 2.92 2.01 0.34 0.24 115.64 124.01 1pn0 s THR 560 Ca 0.02 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1pn0 s THR 560 Cb -0.11 -2.43 0.05 0.00 0.01 0.00 0.00 72.50 70.02 1pn0 s THR 560 CO 0.01 0.50 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.72 1pn0 s ILE 561 N 0.51 1.60 0.41 1.82 1.01 -0.12 -0.87 121.20 125.56 1pn0 s ILE 561 Ca -0.07 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.64 1pn0 s ILE 561 Cb -0.15 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1pn0 s ILE 561 CO 0.04 0.13 0.41 -1.38 0.00 0.00 0.00 174.94 174.13 1pn0 s HIS 562 N 1.41 2.75 -0.41 3.97 -3.43 -0.21 -1.80 115.29 117.57 1pn0 s HIS 562 Ca -0.02 -0.46 0.16 0.00 -0.80 0.00 0.00 55.06 53.94 1pn0 s HIS 562 Cb -0.17 -2.18 0.64 0.00 -1.43 0.00 0.00 32.58 29.44 1pn0 s HIS 562 CO -0.08 -0.16 1.55 -1.13 -2.00 0.00 0.00 174.74 172.92 1pn0 n SER 563 N -1.60 4.55 -4.97 7.38 3.41 -0.55 -0.86 113.62 120.99 1pn0 n SER 563 Ca 0.04 -2.82 -0.20 0.00 -0.26 0.00 0.00 58.87 55.63 1pn0 n SER 563 Cb 0.61 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 1pn0 n SER 563 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pn0 s HIS 565 N -2.12 3.56 -0.49 0.00 2.46 -1.26 -4.36 115.29 113.08 1pn0 s HIS 565 Ca 0.41 1.73 0.22 0.00 0.47 0.00 0.00 55.06 57.89 1pn0 s HIS 565 Cb -0.09 -2.92 0.96 0.00 -0.13 0.00 0.00 32.58 30.41 1pn0 s HIS 565 CO 0.30 0.07 1.67 2.89 -2.47 0.00 0.00 174.74 177.20 1pn0 n ARG 566 N 0.19 0.17 0.16 2.88 1.85 -1.26 -1.12 116.66 119.52 1pn0 n ARG 566 Ca 0.04 0.44 0.13 0.00 -1.00 0.00 0.00 57.85 57.46 1pn0 n ARG 566 Cb 0.51 -1.85 0.47 0.00 -1.05 0.00 0.00 32.46 30.54 1pn0 n ARG 566 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1pn0 h ASP 567 N 0.00 0.00 -0.00 2.89 3.32 -1.99 -3.33 116.42 117.32 1pn0 h ASP 567 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pn0 h ASP 567 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1pn0 h ASP 567 CO 0.00 0.00 -0.86 0.47 -1.72 0.00 0.00 179.24 177.13 1pn0 n ASP 568 N -2.49 1.03 -3.57 6.45 8.00 -0.28 -4.97 116.55 120.72 1pn0 n ASP 568 Ca 0.03 -1.02 -0.16 0.00 0.71 0.00 0.00 54.79 54.36 1pn0 n ASP 568 Cb 0.33 0.94 -0.06 0.00 -0.02 0.00 0.00 41.12 42.31 1pn0 n ASP 568 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1pn0 s ILE 569 N -2.76 0.02 0.21 0.53 2.07 -1.23 -4.96 121.20 115.07 1pn0 s ILE 569 Ca 0.08 -0.16 0.06 0.00 -1.41 0.00 0.00 60.65 59.22 1pn0 s ILE 569 Cb 0.15 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 1pn0 s ILE 569 CO 0.76 -0.09 0.15 -1.61 -1.91 0.00 0.00 174.94 172.25 1pn0 s GLU 570 N -1.77 2.87 0.27 3.50 0.41 -1.26 -4.72 118.70 117.99 1pn0 s GLU 570 Ca -0.09 -0.98 -0.01 0.00 -0.41 0.00 0.00 54.97 53.48 1pn0 s GLU 570 Cb -0.01 -2.58 0.50 0.00 -1.78 0.00 0.00 34.13 30.26 1pn0 s GLU 570 CO 0.04 0.44 1.81 0.52 -0.49 0.00 0.00 175.26 177.58 1pn0 h MET 571 N 1.98 0.84 0.00 1.61 2.86 -1.95 -1.14 114.93 119.14 1pn0 h MET 571 Ca -0.48 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1pn0 h MET 571 Cb 1.22 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1pn0 h MET 571 CO 0.62 0.56 0.00 -2.39 1.06 0.00 0.00 176.91 176.75 1pn0 n HIS 572 N -4.70 0.00 0.90 -0.22 1.44 -1.26 -1.57 115.22 109.81 1pn0 n HIS 572 Ca 0.17 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.01 1pn0 n HIS 572 Cb 0.34 -0.16 0.53 0.00 0.12 0.00 0.00 29.99 30.82 1pn0 n HIS 572 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1pn0 n ASP 573 N -1.16 0.24 -4.89 4.39 8.00 -0.43 -4.83 116.55 117.87 1pn0 n ASP 573 Ca 0.10 0.45 -0.31 0.00 0.71 0.00 0.00 54.79 55.74 1pn0 n ASP 573 Cb 0.10 -0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 40.67 1pn0 n ASP 573 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pn0 s PHE 574 N -3.03 3.45 -0.03 1.24 0.40 -0.61 -5.02 117.98 114.40 1pn0 s PHE 574 Ca 0.13 0.69 -0.38 0.00 -0.60 0.00 0.00 56.93 56.78 1pn0 s PHE 574 Cb 0.17 -2.12 -0.16 0.00 0.51 0.00 0.00 43.02 41.42 1pn0 s PHE 574 CO 0.56 0.31 1.48 -2.30 0.70 0.00 0.00 175.22 175.98 1pn0 n PRO 575 N -0.23 1.20 -4.73 0.24 -0.02 -1.26 -4.69 135.00 125.51 1pn0 n PRO 575 Ca -0.01 0.44 -0.25 0.00 -2.02 0.00 0.00 63.50 61.66 1pn0 n PRO 575 Cb 0.52 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.74 1pn0 n PRO 575 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pn0 s ALA 576 N 1.50 1.39 -2.10 3.55 0.00 -1.26 -0.94 121.76 123.88 1pn0 s ALA 576 Ca 0.89 -0.59 0.16 0.00 0.00 0.00 0.00 51.96 52.41 1pn0 s ALA 576 Cb -0.97 -0.49 0.48 0.00 0.00 0.00 0.00 23.12 22.13 1pn0 s ALA 576 CO 0.52 0.23 1.38 -0.35 0.00 0.00 0.00 175.76 177.54 1pn0 n PRO 577 N 3.28 1.94 -0.14 0.00 -0.04 -1.26 -4.28 135.00 134.51 1pn0 n PRO 577 Ca -0.19 -1.45 -0.04 0.00 -0.04 0.00 0.00 63.50 61.78 1pn0 n PRO 577 Cb 0.53 -1.36 0.05 0.00 -0.04 0.00 0.00 33.50 32.68 1pn0 n PRO 577 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pn0 h ALA 578 N 3.89 0.53 0.00 0.55 0.00 -1.93 -3.22 119.26 119.09 1pn0 h ALA 578 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1pn0 h ALA 578 Cb 0.57 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1pn0 h ALA 578 CO 0.00 -0.26 -1.55 1.28 0.00 0.00 0.00 179.25 178.72 1pn0 n LEU 579 N -5.04 0.00 -3.91 0.00 4.77 -0.12 -4.82 117.00 107.88 1pn0 n LEU 579 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 1pn0 n LEU 579 Cb 0.19 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 1pn0 n LEU 579 CO 0.24 0.09 -0.14 -2.28 -1.33 0.00 0.00 177.39 173.97 1pn0 s HIS 580 N -2.54 3.20 0.71 -1.77 2.46 -0.61 -4.68 115.29 112.06 1pn0 s HIS 580 Ca -0.04 -3.17 -0.14 0.00 0.47 0.00 0.00 55.06 52.18 1pn0 s HIS 580 Cb 0.05 -2.70 0.03 0.00 -0.13 0.00 0.00 32.58 29.83 1pn0 s HIS 580 CO 0.42 -0.68 1.13 -2.14 -2.47 0.00 0.00 174.74 171.00 1pn0 s PRO 581 N -0.62 2.42 -0.04 2.88 0.02 -1.22 -4.18 135.00 134.27 1pn0 s PRO 581 Ca 0.20 1.46 -0.30 0.00 0.02 0.00 0.00 61.00 62.38 1pn0 s PRO 581 Cb -0.19 -1.90 -0.07 0.00 0.02 0.00 0.00 34.50 32.37 1pn0 s PRO 581 CO -0.05 -1.56 1.85 0.21 -0.33 0.00 0.00 177.00 177.12 1pn0 s LYS 582 N -4.21 4.03 -1.39 5.54 2.20 -1.26 -2.36 119.74 122.29 1pn0 s LYS 582 Ca 0.68 2.33 -0.04 0.00 -0.36 0.00 0.00 55.97 58.58 1pn0 s LYS 582 Cb -0.22 -4.11 0.02 0.00 -1.51 0.00 0.00 37.83 32.01 1pn0 s LYS 582 CO 0.46 -1.05 0.31 0.91 -0.36 0.00 0.00 175.35 175.61 1pn0 n TRP 583 N 7.86 -1.61 -4.53 4.03 8.01 -1.26 -4.98 117.44 124.97 1pn0 n TRP 583 Ca 0.20 0.28 -0.23 0.00 -1.31 0.00 0.00 57.50 56.44 1pn0 n TRP 583 Cb 0.42 -3.53 -0.14 0.00 -2.01 0.00 0.00 31.31 26.05 1pn0 n TRP 583 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1pn0 s GLN 584 N -5.48 1.16 -0.05 -0.99 -0.21 -1.00 -5.06 119.66 108.02 1pn0 s GLN 584 Ca 0.19 -0.79 0.07 0.00 0.02 0.00 0.00 55.36 54.86 1pn0 s GLN 584 Cb -0.09 -1.20 0.11 0.00 1.00 0.00 0.00 33.01 32.83 1pn0 s GLN 584 CO 0.24 0.31 1.04 0.66 -2.12 0.00 0.00 175.29 175.41 1pn0 n TYR 585 N 2.03 0.00 -2.10 0.91 4.01 -1.26 -4.53 117.16 116.21 1pn0 n TYR 585 Ca -0.17 -0.40 -0.30 0.00 -0.16 0.00 0.00 57.90 56.87 1pn0 n TYR 585 Cb 0.54 -0.09 0.02 0.00 -0.31 0.00 0.00 39.34 39.51 1pn0 n TYR 585 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1pn0 n ASP 586 N -0.57 5.72 0.00 7.72 8.00 -1.26 -4.62 116.55 131.54 1pn0 n ASP 586 Ca 0.06 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.80 1pn0 n ASP 586 Cb 0.66 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1pn0 n ASP 586 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1pn0 n PHE 587 N -0.61 0.00 -4.31 1.24 3.72 -1.26 -5.00 117.46 111.25 1pn0 n PHE 587 Ca 0.46 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.53 1pn0 n PHE 587 Cb 0.65 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.04 1pn0 n PHE 587 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1pn0 s ILE 588 N -1.31 2.59 0.15 4.37 1.01 -1.26 -0.50 121.20 126.25 1pn0 s ILE 588 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.93 1pn0 s ILE 588 Cb 0.00 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1pn0 s ILE 588 CO 0.00 0.51 -0.12 -0.31 0.00 0.00 0.00 174.94 175.01 1pn0 s TYR 589 N 1.07 1.38 0.01 3.97 1.51 -0.05 -1.39 117.35 123.85 1pn0 s TYR 589 Ca -0.00 -0.65 0.05 0.00 -1.01 0.00 0.00 57.07 55.46 1pn0 s TYR 589 Cb -0.14 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 40.99 1pn0 s TYR 589 CO -0.04 0.15 -0.16 0.00 -1.11 0.00 0.00 175.55 174.39 1pn0 s ALA 590 N -2.82 1.30 -0.90 3.71 0.00 0.10 -1.04 121.76 122.12 1pn0 s ALA 590 Ca 0.15 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 1pn0 s ALA 590 Cb -0.01 -0.29 0.18 0.00 0.00 0.00 0.00 23.12 23.00 1pn0 s ALA 590 CO 0.03 0.30 0.96 0.34 0.00 0.00 0.00 175.76 177.38 1pn0 s ASP 591 N -0.66 6.74 0.28 0.00 2.15 -0.04 -0.54 116.67 124.61 1pn0 s ASP 591 Ca 0.05 -2.46 -0.17 0.00 0.43 0.00 0.00 52.55 50.40 1pn0 s ASP 591 Cb -0.07 -2.30 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1pn0 s ASP 591 CO 0.00 -0.78 0.63 0.00 -0.17 0.00 0.00 175.17 174.86 1pn0 s ASP 593 N -2.99 4.37 0.33 0.00 -1.08 -1.26 -4.33 116.67 111.72 1pn0 s ASP 593 Ca 0.16 2.03 -0.02 0.00 -0.52 0.00 0.00 52.55 54.21 1pn0 s ASP 593 Cb -0.04 -2.55 -0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1pn0 s ASP 593 CO 0.09 -2.13 0.44 -0.94 0.52 0.00 0.00 175.17 173.16 1pn0 s SER 594 N -2.78 0.89 0.23 -0.34 1.04 -0.86 -4.89 113.70 106.99 1pn0 s SER 594 Ca 0.66 -1.47 -0.07 0.00 0.48 0.00 0.00 55.95 55.55 1pn0 s SER 594 Cb -0.21 0.64 0.25 0.00 0.10 0.00 0.00 66.02 66.79 1pn0 s SER 594 CO 0.50 -1.25 1.89 -0.50 0.98 0.00 0.00 173.24 174.86 1pn0 h TRP 595 N 2.14 1.09 -0.02 5.02 4.06 -1.97 -3.25 115.95 123.01 1pn0 h TRP 595 Ca -0.28 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.70 1pn0 h TRP 595 Cb 1.24 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 1pn0 h TRP 595 CO 1.39 0.65 0.00 0.72 -3.56 0.00 0.00 178.44 177.64 1pn0 n HIS 596 N -4.50 0.01 -3.91 0.49 8.25 -1.26 -5.00 115.22 109.30 1pn0 n HIS 596 Ca 0.10 -0.02 -0.10 0.00 -0.26 0.00 0.00 57.72 57.44 1pn0 n HIS 596 Cb 0.06 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 1pn0 n HIS 596 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1pn0 s HIS 597 N -0.75 0.13 1.00 4.41 3.76 -1.23 -5.17 115.29 117.44 1pn0 s HIS 597 Ca 0.11 -0.30 -0.14 0.00 -0.15 0.00 0.00 55.06 54.57 1pn0 s HIS 597 Cb 0.07 -0.10 0.19 0.00 1.11 0.00 0.00 32.58 33.85 1pn0 s HIS 597 CO 0.11 -0.27 1.15 -1.25 -0.85 0.00 0.00 174.74 173.63 1pn0 s PRO 598 N -1.59 0.43 0.13 8.40 0.04 -1.26 -2.03 135.00 139.12 1pn0 s PRO 598 Ca -0.14 0.14 -0.34 0.00 0.04 0.00 0.00 61.00 60.70 1pn0 s PRO 598 Cb -0.07 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.56 1pn0 s PRO 598 CO 0.00 -2.65 1.58 1.58 0.04 0.00 0.00 177.00 177.56 1pn0 n HIS 599 N -4.05 2.20 1.43 0.56 -0.00 -1.26 -4.54 115.22 109.56 1pn0 n HIS 599 Ca 0.09 0.28 0.15 0.00 -0.00 0.00 0.00 57.72 58.24 1pn0 n HIS 599 Cb 0.59 -2.53 0.70 0.00 -0.00 0.00 0.00 29.99 28.75 1pn0 n HIS 599 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1pn0 n PRO 600 N 3.64 0.54 -3.89 1.57 -0.04 -1.26 -4.92 135.00 130.63 1pn0 n PRO 600 Ca 0.18 -0.09 -0.26 0.00 -0.04 0.00 0.00 63.50 63.28 1pn0 n PRO 600 Cb 0.28 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1pn0 n PRO 600 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pn0 n LYS 601 N -1.15 -4.35 0.09 0.54 4.76 -1.26 -4.89 118.16 111.89 1pn0 n LYS 601 Ca 0.14 0.52 -0.15 0.00 -2.87 0.00 0.00 58.31 55.95 1pn0 n LYS 601 Cb 0.25 -5.04 -0.10 0.00 -1.84 0.00 0.00 35.03 28.30 1pn0 n LYS 601 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1pn0 h SER 602 N -1.87 0.50 -0.84 4.39 0.02 -1.91 -1.58 113.55 112.26 1pn0 h SER 602 Ca -0.61 -0.47 0.11 0.00 -0.84 0.00 0.00 61.79 59.98 1pn0 h SER 602 Cb 1.37 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.67 1pn0 h SER 602 CO 0.63 1.32 0.46 1.88 -1.14 0.00 0.00 176.83 179.99 1pn0 h TYR 603 N 0.14 0.83 -0.38 3.45 -1.99 -1.90 0.16 116.97 117.29 1pn0 h TYR 603 Ca -0.12 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.56 1pn0 h TYR 603 Cb 1.82 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 40.29 1pn0 h TYR 603 CO 0.07 0.30 -0.09 1.96 -0.00 0.00 0.00 178.16 180.39 1pn0 h GLN 604 N 0.74 0.73 -0.32 4.88 4.20 -1.71 0.21 115.11 123.85 1pn0 h GLN 604 Ca 0.42 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1pn0 h GLN 604 Cb 0.46 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1pn0 h GLN 604 CO -0.28 0.88 0.02 0.00 -0.67 0.00 0.00 178.83 178.78 1pn0 h ALA 605 N 0.83 1.46 0.00 3.87 0.00 -0.75 -1.84 119.26 122.82 1pn0 h ALA 605 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pn0 h ALA 605 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pn0 h ALA 605 CO 0.04 0.39 -0.24 0.91 0.00 0.00 0.00 179.25 180.34 1pn0 n TRP 606 N -4.32 0.48 -2.35 0.00 8.01 0.52 -4.68 117.44 115.10 1pn0 n TRP 606 Ca 0.01 0.14 -0.05 0.00 -1.31 0.00 0.00 57.50 56.29 1pn0 n TRP 606 Cb 0.21 -0.66 0.01 0.00 -2.01 0.00 0.00 31.31 28.86 1pn0 n TRP 606 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pn0 n GLY 607 N 1.39 0.35 3.50 6.99 0.00 0.58 -1.74 105.19 116.26 1pn0 n GLY 607 Ca 0.05 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 1pn0 n GLY 607 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pn0 s VAL 608 N -2.56 3.50 0.21 1.61 1.01 -0.23 -1.15 120.40 122.78 1pn0 s VAL 608 Ca 0.05 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.18 1pn0 s VAL 608 Cb -0.02 -2.45 -0.11 0.00 0.00 0.00 0.00 36.38 33.79 1pn0 s VAL 608 CO 0.06 0.56 1.66 -0.62 0.00 0.00 0.00 175.10 176.77 1pn0 s ASP 609 N -0.28 6.43 0.40 3.32 2.15 -1.26 -4.39 116.67 123.04 1pn0 s ASP 609 Ca 0.03 2.82 0.13 0.00 0.43 0.00 0.00 52.55 55.96 1pn0 s ASP 609 Cb -0.13 -2.60 0.81 0.00 -0.30 0.00 0.00 42.92 40.70 1pn0 s ASP 609 CO 0.03 -0.93 1.89 -0.33 -0.17 0.00 0.00 175.17 175.66 1pn0 h GLU 610 N 6.48 0.02 0.00 4.34 5.08 -1.94 -0.63 114.58 127.94 1pn0 h GLU 610 Ca -0.44 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 1pn0 h GLU 610 Cb 1.20 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1pn0 h GLU 610 CO 0.92 0.31 -0.59 1.15 -1.00 0.00 0.00 179.01 179.81 1pn0 h THR 611 N 0.02 0.72 0.00 1.13 2.02 -1.92 -2.86 112.91 112.03 1pn0 h THR 611 Ca 0.00 -1.72 -0.11 0.00 0.77 0.00 0.00 66.41 65.35 1pn0 h THR 611 Cb 0.53 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1pn0 h THR 611 CO 0.04 0.24 -0.68 0.11 0.37 0.00 0.00 175.52 175.60 1pn0 h LYS 612 N -1.00 0.00 0.00 6.66 1.57 -1.91 -0.98 116.57 120.91 1pn0 h LYS 612 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1pn0 h LYS 612 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1pn0 h LYS 612 CO -0.08 0.41 0.00 0.41 -0.57 0.00 0.00 179.45 179.62 1pn0 n GLY 613 N 1.25 0.44 3.73 3.86 0.00 -0.24 -4.68 105.19 109.55 1pn0 n GLY 613 Ca -0.00 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.17 1pn0 n GLY 613 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn0 s ALA 614 N -1.73 -2.31 -0.08 4.61 0.00 -0.73 -4.55 121.76 116.98 1pn0 s ALA 614 Ca 0.00 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.47 1pn0 s ALA 614 Cb 0.00 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.66 1pn0 s ALA 614 CO 0.00 -1.09 -0.14 0.08 0.00 0.00 0.00 175.76 174.61 1pn0 s VAL 615 N -2.27 1.33 -0.10 0.00 1.01 0.10 -0.16 120.40 120.30 1pn0 s VAL 615 Ca 0.19 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1pn0 s VAL 615 Cb 0.03 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1pn0 s VAL 615 CO -0.03 0.40 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 1pn0 s VAL 616 N 0.65 1.23 -0.04 2.92 1.01 -0.31 -0.79 120.40 125.07 1pn0 s VAL 616 Ca -0.14 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 1pn0 s VAL 616 Cb -0.16 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1pn0 s VAL 616 CO 0.04 0.39 0.46 -0.69 0.00 0.00 0.00 175.10 175.31 1pn0 s VAL 617 N 1.22 5.05 -0.05 2.92 1.01 -0.03 -0.00 120.40 130.51 1pn0 s VAL 617 Ca -0.03 0.95 0.05 0.00 0.00 0.00 0.00 61.98 62.95 1pn0 s VAL 617 Cb -0.14 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1pn0 s VAL 617 CO -0.04 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.64 1pn0 s VAL 618 N -0.36 1.68 0.88 2.92 1.01 -0.20 -0.65 120.40 125.68 1pn0 s VAL 618 Ca 0.25 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1pn0 s VAL 618 Cb -0.16 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 34.90 1pn0 s VAL 618 CO 0.13 0.47 1.10 -0.13 0.00 0.00 0.00 175.10 176.67 1pn0 s ARG 619 N -0.02 1.43 0.63 2.72 0.52 0.51 -0.74 118.95 124.00 1pn0 s ARG 619 Ca -0.04 0.72 0.38 0.00 -0.52 0.00 0.00 55.73 56.26 1pn0 s ARG 619 Cb -0.13 -1.84 2.14 0.00 0.52 0.00 0.00 34.95 35.65 1pn0 s ARG 619 CO 0.03 -2.09 2.32 -1.35 0.02 0.00 0.00 175.30 174.22 1pn0 h PRO 620 N -1.44 0.00 -0.56 3.54 0.11 -1.87 -0.35 132.00 131.44 1pn0 h PRO 620 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pn0 h PRO 620 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pn0 h PRO 620 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1pn0 n ASP 621 N -3.45 3.07 0.00 -2.05 5.75 -1.26 -4.62 116.55 113.99 1pn0 n ASP 621 Ca -0.03 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1pn0 n ASP 621 Cb 0.08 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1pn0 n ASP 621 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pn0 n GLY 622 N 1.19 0.48 3.79 6.12 0.00 -0.14 -5.00 105.19 111.64 1pn0 n GLY 622 Ca 0.18 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1pn0 n GLY 622 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pn0 s TYR 623 N -2.00 3.58 0.16 1.61 1.51 -1.26 -0.45 117.35 120.50 1pn0 s TYR 623 Ca 0.00 0.74 -0.31 0.00 -1.01 0.00 0.00 57.07 56.49 1pn0 s TYR 623 Cb 0.00 -2.27 -0.09 0.00 -0.11 0.00 0.00 41.96 39.49 1pn0 s TYR 623 CO 0.00 0.46 1.41 0.99 -1.11 0.00 0.00 175.55 177.30 1pn0 s THR 624 N -0.31 3.05 0.00 -0.71 2.01 -0.41 -0.36 115.64 118.92 1pn0 s THR 624 Ca 0.19 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1pn0 s THR 624 Cb -0.14 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1pn0 s THR 624 CO 0.07 0.08 0.00 -1.54 -0.69 0.00 0.00 174.62 172.55 1pn0 n SER 625 N 3.41 1.39 -3.62 3.53 3.41 0.18 -0.74 113.62 121.18 1pn0 n SER 625 Ca 0.10 -0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.27 1pn0 n SER 625 Cb 0.41 0.90 -0.07 0.00 -0.26 0.00 0.00 64.21 65.20 1pn0 n SER 625 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pn0 s LEU 626 N -2.08 -0.65 -0.08 1.04 2.96 -1.18 -1.36 118.68 117.32 1pn0 s LEU 626 Ca 0.00 1.19 0.01 0.00 -0.22 0.00 0.00 54.13 55.11 1pn0 s LEU 626 Cb 0.00 2.30 0.02 0.00 0.50 0.00 0.00 46.19 49.01 1pn0 s LEU 626 CO 0.00 -0.26 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.00 1pn0 s VAL 627 N 0.14 0.94 0.00 1.68 1.01 -1.26 -0.85 120.40 122.06 1pn0 s VAL 627 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1pn0 s VAL 627 Cb -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1pn0 s VAL 627 CO 0.00 0.34 0.00 1.07 0.00 0.00 0.00 175.10 176.51 1pn0 n THR 628 N 4.46 0.00 -3.70 3.92 5.66 0.03 -0.45 114.28 124.20 1pn0 n THR 628 Ca -0.17 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.58 1pn0 n THR 628 Cb 0.51 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.30 1pn0 n THR 628 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1pn0 s ASP 629 N -0.80 4.72 0.54 1.09 1.47 -1.26 -0.72 116.67 121.70 1pn0 s ASP 629 Ca 0.00 -1.19 0.26 0.00 1.18 0.00 0.00 52.55 52.81 1pn0 s ASP 629 Cb 0.00 0.47 1.52 0.00 -0.34 0.00 0.00 42.92 44.56 1pn0 s ASP 629 CO 0.00 -1.20 2.12 -0.07 0.68 0.00 0.00 175.17 176.71 1pn0 h LEU 630 N 0.59 0.00 -0.01 2.11 3.38 -1.91 -1.02 115.31 118.45 1pn0 h LEU 630 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1pn0 h LEU 630 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1pn0 h LEU 630 CO 0.53 0.09 -0.05 -0.62 0.09 0.00 0.00 178.44 178.48 1pn0 n GLU 631 N -3.81 0.12 -0.48 1.13 4.71 -1.26 -4.33 120.64 116.73 1pn0 n GLU 631 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 1pn0 n GLU 631 Cb 0.18 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 1pn0 n GLU 631 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pn0 n GLY 632 N 1.45 2.45 0.20 0.62 0.00 -0.39 -4.47 105.19 105.04 1pn0 n GLY 632 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1pn0 n GLY 632 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pn0 h THR 633 N 0.99 1.25 -0.65 2.61 1.35 -1.81 -2.42 112.91 114.22 1pn0 h THR 633 Ca 0.00 -1.17 -0.05 0.00 -0.55 0.00 0.00 66.41 64.64 1pn0 h THR 633 Cb 0.98 1.57 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 1pn0 h THR 633 CO 0.00 0.34 0.23 0.00 -0.25 0.00 0.00 175.52 175.84 1pn0 h ALA 634 N 1.61 0.85 -0.65 6.62 0.00 -1.97 -0.01 119.26 125.70 1pn0 h ALA 634 Ca 0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1pn0 h ALA 634 Cb 0.60 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1pn0 h ALA 634 CO 0.04 0.50 0.18 0.93 0.00 0.00 0.00 179.25 180.90 1pn0 h GLU 635 N 0.93 1.00 -0.39 0.00 3.07 -1.85 -1.36 114.58 115.98 1pn0 h GLU 635 Ca 0.21 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1pn0 h GLU 635 Cb 0.26 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1pn0 h GLU 635 CO -0.01 0.87 0.07 0.82 -1.40 0.00 0.00 179.01 179.36 1pn0 h ILE 636 N 0.96 1.24 -0.30 3.13 2.04 -1.02 -0.99 117.51 122.58 1pn0 h ILE 636 Ca 0.21 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.26 1pn0 h ILE 636 Cb 0.30 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1pn0 h ILE 636 CO -0.00 0.29 0.08 0.44 0.00 0.00 0.00 178.15 178.96 1pn0 h ASP 637 N 0.50 0.06 -0.37 1.72 3.32 -0.66 -2.31 116.42 118.67 1pn0 h ASP 637 Ca 0.12 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1pn0 h ASP 637 Cb 0.36 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1pn0 h ASP 637 CO 0.01 0.07 -0.06 0.03 -1.72 0.00 0.00 179.24 177.56 1pn0 h ARG 638 N 0.20 0.79 0.46 3.56 3.08 -1.10 0.31 114.38 121.68 1pn0 h ARG 638 Ca 0.14 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1pn0 h ARG 638 Cb 0.13 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1pn0 h ARG 638 CO -0.16 0.84 -0.22 -0.92 -1.07 0.00 0.00 179.97 178.44 1pn0 h TYR 639 N 0.73 -0.57 -0.17 3.04 3.20 -0.91 -2.87 116.97 119.42 1pn0 h TYR 639 Ca 0.13 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 1pn0 h TYR 639 Cb 0.54 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1pn0 h TYR 639 CO 0.03 -0.34 -0.31 0.74 -1.64 0.00 0.00 178.16 176.64 1pn0 h PHE 640 N -0.65 0.38 -0.12 -3.82 0.04 -1.34 -2.92 116.94 108.52 1pn0 h PHE 640 Ca -0.06 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 1pn0 h PHE 640 Cb 0.49 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1pn0 h PHE 640 CO -0.04 0.62 0.04 0.77 -0.60 0.00 0.00 178.31 179.10 1pn0 h SER 641 N 0.29 0.14 1.03 2.17 0.02 -0.83 0.71 113.55 117.08 1pn0 h SER 641 Ca 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1pn0 h SER 641 Cb 0.70 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1pn0 h SER 641 CO 0.05 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.49 1pn0 n GLY 642 N -1.41 -1.45 0.90 -3.77 0.00 -1.09 -4.43 105.19 93.94 1pn0 n GLY 642 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1pn0 n GLY 642 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pn0 n ILE 643 N -1.92 0.40 -3.07 -0.61 5.41 -0.38 -4.85 119.36 114.34 1pn0 n ILE 643 Ca 0.05 0.03 -0.29 0.00 1.00 0.00 0.00 62.75 63.55 1pn0 n ILE 643 Cb 0.32 -1.57 -0.03 0.00 -0.71 0.00 0.00 39.64 37.65 1pn0 n ILE 643 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1pn0 s LEU 644 N -6.37 3.91 -0.17 1.39 1.43 0.10 -1.29 118.68 117.69 1pn0 s LEU 644 Ca -0.05 0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 53.87 1pn0 s LEU 644 Cb 0.02 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1pn0 s LEU 644 CO 0.06 -0.33 -0.02 -0.69 0.23 0.00 0.00 176.35 175.60 1pn0 s VAL 645 N -2.30 4.01 0.28 -1.59 1.01 -0.07 -4.80 120.40 116.94 1pn0 s VAL 645 Ca 0.47 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1pn0 s VAL 645 Cb -0.10 -2.77 -0.11 0.00 0.00 0.00 0.00 36.38 33.40 1pn0 s VAL 645 CO 0.33 0.48 1.49 -1.61 0.00 0.00 0.00 175.10 175.79 1pn0 s GLU 646 N 0.50 4.21 0.83 2.72 2.02 -1.26 -4.80 118.70 122.91 1pn0 s GLU 646 Ca -0.02 2.42 -0.11 0.00 0.02 0.00 0.00 54.97 57.27 1pn0 s GLU 646 Cb -0.14 -3.06 0.09 0.00 0.10 0.00 0.00 34.13 31.12 1pn0 s GLU 646 CO 0.02 -0.49 1.14 -2.14 0.02 0.00 0.00 175.26 173.81 1pn0 s PRO 647 N -0.65 1.69 0.29 0.39 0.02 -1.26 -4.91 135.00 130.56 1pn0 s PRO 647 Ca 0.59 1.45 0.01 0.00 0.02 0.00 0.00 61.00 63.08 1pn0 s PRO 647 Cb -0.44 -1.81 0.45 0.00 0.02 0.00 0.00 34.50 32.72 1pn0 s PRO 647 CO 0.47 -2.11 1.79 0.87 -0.33 0.00 0.00 177.00 177.69 1pn0 h LYS 648 N -1.29 0.62 -4.71 5.54 1.57 -1.97 -3.37 116.57 112.96 1pn0 h LYS 648 Ca -0.44 -0.17 -0.63 0.00 -1.87 0.00 0.00 60.65 57.55 1pn0 h LYS 648 Cb 1.26 -0.07 -0.36 0.00 0.08 0.00 0.00 32.23 33.13 1pn0 h LYS 648 CO 0.47 0.68 -0.82 -1.21 -0.57 0.00 0.00 179.45 177.99 1pn0 s GLU 649 N -4.87 2.29 0.39 3.15 2.02 -1.26 -5.10 118.70 115.33 1pn0 s GLU 649 Ca -0.08 -0.81 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 1pn0 s GLU 649 Cb 0.15 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 1pn0 s GLU 649 CO 0.79 -0.35 0.61 0.15 0.02 0.00 0.00 175.26 176.48 1pn0 s LYS 650 N 1.38 3.38 0.24 1.61 1.02 -1.26 -0.72 119.74 125.39 1pn0 s LYS 650 Ca 0.01 -0.30 -0.06 0.00 0.02 0.00 0.00 55.97 55.64 1pn0 s LYS 650 Cb -0.15 -2.60 0.25 0.00 -0.52 0.00 0.00 37.83 34.81 1pn0 s LYS 650 CO -0.09 -0.01 1.89 1.03 -0.92 0.00 0.00 175.35 177.25 1pn0 h SER 651 N 0.58 1.13 -3.16 2.83 0.87 -0.44 -3.33 113.55 112.04 1pn0 h SER 651 Ca -0.48 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.04 1pn0 h SER 651 Cb 1.23 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1pn0 h SER 651 CO 0.60 0.87 -0.04 0.61 -0.53 0.00 0.00 176.83 178.34 1pn0 n GLY 652 N -1.25 -1.80 3.70 5.77 0.00 -0.63 -4.85 105.19 106.12 1pn0 n GLY 652 Ca 0.11 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1pn0 n GLY 652 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn0 n ALA 653 N -0.30 1.22 -2.25 4.61 0.00 -1.26 -4.59 120.51 117.94 1pn0 n ALA 653 Ca 0.00 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1pn0 n ALA 653 Cb 0.05 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 1pn0 n ALA 653 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pn0 s GLN 654 N -2.53 4.25 -0.01 0.00 2.00 -0.28 -4.90 119.66 118.19 1pn0 s GLN 654 Ca 0.67 1.91 0.10 0.00 -2.00 0.00 0.00 55.36 56.03 1pn0 s GLN 654 Cb -0.46 -3.74 -0.12 0.00 0.80 0.00 0.00 33.01 29.49 1pn0 s GLN 654 CO 0.53 -0.68 0.32 0.25 -0.50 0.00 0.00 175.29 175.21 1pn0 n THR 655 N 5.08 0.00 -2.00 -0.34 -2.24 -1.26 -4.97 114.28 108.55 1pn0 n THR 655 Ca 0.14 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 1pn0 n THR 655 Cb 0.44 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 1pn0 n THR 655 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pn0 s GLU 656 N -2.23 4.16 0.62 -0.78 2.02 -1.26 -4.99 118.70 116.24 1pn0 s GLU 656 Ca 0.00 2.30 -0.16 0.00 0.02 0.00 0.00 54.97 57.14 1pn0 s GLU 656 Cb 0.07 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 1pn0 s GLU 656 CO 0.39 -0.39 1.10 0.00 0.02 0.00 0.00 175.26 176.38 1pn0 s ALA 657 N -1.17 2.58 -0.36 5.21 0.00 -1.26 -4.77 121.76 121.99 1pn0 s ALA 657 Ca 0.53 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 1pn0 s ALA 657 Cb -0.41 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 1pn0 s ALA 657 CO 0.55 -1.07 2.30 -3.47 0.00 0.00 0.00 175.76 174.07 1pn0 n ASP 658 N -2.13 2.66 0.23 0.00 -0.08 -1.26 -4.79 116.55 111.18 1pn0 n ASP 658 Ca 0.10 0.01 0.16 0.00 -1.51 0.00 0.00 54.79 53.55 1pn0 n ASP 658 Cb 0.52 -1.49 0.79 0.00 2.34 0.00 0.00 41.12 43.28 1pn0 n ASP 658 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1pn0 h TRP 659 N 15.94 0.00 0.00 -0.67 5.08 -1.91 -2.49 115.95 131.90 1pn0 h TRP 659 Ca -0.32 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.65 1pn0 h TRP 659 Cb 1.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.43 1pn0 h TRP 659 CO 0.96 0.00 -0.13 1.79 -1.28 0.00 0.00 178.44 179.77 1pn0 h THR 660 N 0.00 0.00 -2.63 0.12 1.35 -1.93 -3.38 112.91 106.43 1pn0 h THR 660 Ca 0.00 -0.58 -0.78 0.00 -0.55 0.00 0.00 66.41 64.50 1pn0 h THR 660 Cb 0.13 1.49 -0.24 0.00 -1.73 0.00 0.00 68.15 67.80 1pn0 h THR 660 CO 0.00 0.00 1.06 0.29 -0.25 0.00 0.00 175.52 176.62 1pn0 n LYS 661 N -2.38 3.89 -0.30 4.72 4.76 -0.94 -5.15 118.16 122.76 1pn0 n LYS 661 Ca 0.05 -4.20 0.00 0.00 -2.87 0.00 0.00 58.31 51.29 1pn0 n LYS 661 Cb 0.45 -2.69 0.00 0.00 -1.84 0.00 0.00 35.03 30.95 1pn0 n LYS 661 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90