#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 4.32 0.00 -2.82 2.20 -1.26 -5.01 119.74 117.18 1pn0 s LYS 2 Ca 0.00 0.46 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 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 0.19 -0.08 0.71 -0.36 0.00 0.00 175.35 175.81 1pn0 s TYR 3 N 0.50 2.85 0.19 4.03 2.02 -1.26 -1.37 117.35 124.32 1pn0 s TYR 3 Ca 0.26 -0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.89 1pn0 s TYR 3 Cb -0.15 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 1pn0 s TYR 3 CO 0.11 0.36 0.13 -1.54 -1.57 0.00 0.00 175.55 173.03 1pn0 s SER 4 N -1.38 0.17 -0.12 2.29 1.04 -0.47 -4.97 113.70 110.26 1pn0 s SER 4 Ca 0.17 -1.32 -0.12 0.00 0.48 0.00 0.00 55.95 55.15 1pn0 s SER 4 Cb -0.11 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.41 1pn0 s SER 4 CO 0.07 -0.83 0.34 -0.70 0.98 0.00 0.00 173.24 173.10 1pn0 s GLU 5 N -4.13 0.40 0.35 4.02 2.12 -1.26 -0.63 118.70 119.58 1pn0 s GLU 5 Ca 0.35 0.45 -0.13 0.00 0.36 0.00 0.00 54.97 55.99 1pn0 s GLU 5 Cb 0.07 0.19 0.04 0.00 0.26 0.00 0.00 34.13 34.69 1pn0 s GLU 5 CO 0.10 -0.05 0.69 -1.54 -0.54 0.00 0.00 175.26 173.92 1pn0 s SER 6 N 0.13 0.16 0.04 -1.70 1.04 -0.12 -4.94 113.70 108.31 1pn0 s SER 6 Ca -0.00 -1.13 0.05 0.00 0.48 0.00 0.00 55.95 55.34 1pn0 s SER 6 Cb -0.02 0.78 -0.02 0.00 0.10 0.00 0.00 66.02 66.85 1pn0 s SER 6 CO 0.01 -1.52 -0.14 -0.31 0.98 0.00 0.00 173.24 172.26 1pn0 s TYR 7 N -2.80 1.19 0.10 5.02 1.51 -1.26 -0.81 117.35 120.30 1pn0 s TYR 7 Ca 0.19 -0.35 -0.15 0.00 -1.01 0.00 0.00 57.07 55.75 1pn0 s TYR 7 Cb -0.04 -0.71 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1pn0 s TYR 7 CO 0.13 0.03 0.36 0.00 -1.11 0.00 0.00 175.55 174.95 1pn0 h ASP 9 N 2.56 0.35 -3.57 0.00 3.32 -1.18 -2.22 116.42 115.68 1pn0 h ASP 9 Ca -0.34 -0.92 -0.39 0.00 0.02 0.00 0.00 57.03 55.40 1pn0 h ASP 9 Cb 1.24 -0.12 -0.33 0.00 0.22 0.00 0.00 39.33 40.34 1pn0 h ASP 9 CO 0.48 1.38 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.92 1pn0 s VAL 10 N -2.40 0.49 -0.21 -1.35 1.01 -0.87 -1.03 120.40 116.04 1pn0 s VAL 10 Ca -0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1pn0 s VAL 10 Cb 0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 1pn0 s VAL 10 CO 0.79 0.20 -0.08 -0.22 0.00 0.00 0.00 175.10 175.79 1pn0 s LEU 11 N 0.67 2.73 -0.28 3.92 2.96 -0.35 -0.83 118.68 127.51 1pn0 s LEU 11 Ca -0.09 -0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 1pn0 s LEU 11 Cb -0.12 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1pn0 s LEU 11 CO 0.00 -0.02 0.27 -0.63 -1.32 0.00 0.00 176.35 174.66 1pn0 s ILE 12 N 1.44 5.25 -0.48 6.68 1.01 0.74 -0.90 121.20 134.92 1pn0 s ILE 12 Ca 0.06 0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.86 1pn0 s ILE 12 Cb -0.14 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.78 1pn0 s ILE 12 CO -0.05 0.20 0.53 -0.69 0.00 0.00 0.00 174.94 174.92 1pn0 s VAL 13 N 1.90 5.02 0.00 2.92 1.01 0.39 -1.29 120.40 130.34 1pn0 s VAL 13 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1pn0 s VAL 13 Cb -0.16 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1pn0 s VAL 13 CO 0.11 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.14 1pn0 n GLY 14 N 5.17 2.98 2.36 4.51 0.00 0.61 -0.11 105.19 120.70 1pn0 n GLY 14 Ca -0.08 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.30 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 1.11 4.64 -1.69 4.61 0.00 -1.23 -4.08 120.51 123.87 1pn0 n ALA 15 Ca 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1pn0 n ALA 15 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.54 0.25 0.25 0.00 0.00 -1.26 -4.66 105.19 99.23 1pn0 n GLY 16 Ca 0.35 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.55 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 0.22 0.06 1.61 0.11 -1.94 0.77 132.00 132.83 1pn0 h PRO 17 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1pn0 h PRO 17 Cb 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 1pn0 h PRO 17 CO 0.00 0.14 -0.04 0.00 -0.21 0.00 0.00 178.00 177.90 1pn0 h ALA 18 N 1.55 -0.09 -0.52 -0.75 0.00 -1.90 -1.16 119.26 116.39 1pn0 h ALA 18 Ca 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1pn0 h ALA 18 Cb 0.57 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1pn0 h ALA 18 CO -0.48 -0.55 0.20 0.78 0.00 0.00 0.00 179.25 179.20 1pn0 h GLY 19 N -0.10 0.85 1.02 0.00 0.00 -1.58 -0.74 103.07 102.52 1pn0 h GLY 19 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1pn0 h GLY 19 CO 0.01 0.45 0.14 1.41 0.00 0.00 0.00 176.54 178.55 1pn0 h LEU 20 N 0.71 0.92 -0.74 3.11 3.38 -0.79 -0.32 115.31 121.58 1pn0 h LEU 20 Ca 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1pn0 h LEU 20 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1pn0 h LEU 20 CO -0.01 0.92 0.39 -0.03 0.09 0.00 0.00 178.44 179.79 1pn0 h MET 21 N 0.88 1.05 -0.45 1.13 4.05 -0.99 0.16 114.93 120.75 1pn0 h MET 21 Ca 0.19 -0.14 0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1pn0 h MET 21 Cb 0.36 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1pn0 h MET 21 CO 0.00 0.80 0.25 0.00 0.23 0.00 0.00 176.91 178.18 1pn0 h ALA 22 N 1.20 0.57 -0.60 0.39 0.00 -0.54 0.52 119.26 120.79 1pn0 h ALA 22 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1pn0 h ALA 22 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1pn0 h ALA 22 CO -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1pn0 h ALA 23 N 1.22 0.86 -0.23 0.00 0.00 -0.61 0.99 119.26 121.48 1pn0 h ALA 23 Ca 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1pn0 h ALA 23 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pn0 h ALA 23 CO -0.11 0.67 0.12 -0.09 0.00 0.00 0.00 179.25 179.84 1pn0 h ARG 24 N 0.97 0.33 -0.22 0.00 9.65 -0.29 0.10 114.38 124.92 1pn0 h ARG 24 Ca 0.17 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1pn0 h ARG 24 Cb 0.55 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1pn0 h ARG 24 CO 0.03 0.30 0.04 0.28 2.80 0.00 0.00 179.97 183.42 1pn0 h VAL 25 N 0.26 1.23 0.00 0.20 2.07 -0.66 -2.73 116.25 116.61 1pn0 h VAL 25 Ca 0.08 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1pn0 h VAL 25 Cb 0.08 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1pn0 h VAL 25 CO -0.01 0.23 -0.14 -0.07 0.02 0.00 0.00 177.57 177.60 1pn0 h LEU 26 N 0.16 0.00 -1.28 2.57 3.38 -0.64 -2.86 115.31 116.64 1pn0 h LEU 26 Ca 0.07 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.19 1pn0 h LEU 26 Cb 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1pn0 h LEU 26 CO 0.00 0.14 0.58 0.28 0.09 0.00 0.00 178.44 179.53 1pn0 h SER 27 N 0.00 0.65 -0.76 -0.43 0.02 -0.46 -0.69 113.55 111.87 1pn0 h SER 27 Ca -0.00 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1pn0 h SER 27 Cb 0.41 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1pn0 h SER 27 CO 0.02 0.31 0.31 -0.08 -1.14 0.00 0.00 176.83 176.25 1pn0 h GLU 28 N 0.68 1.15 -0.04 3.45 4.57 -1.61 -0.94 114.58 121.85 1pn0 h GLU 28 Ca 0.46 -0.21 -0.19 0.00 -1.18 0.00 0.00 59.36 58.25 1pn0 h GLU 28 Cb 0.78 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1pn0 h GLU 28 CO -0.22 0.93 -0.79 1.88 -1.18 0.00 0.00 179.01 179.64 1pn0 h TYR 29 N 1.12 0.41 -0.54 0.92 0.05 -1.31 -2.46 116.97 115.16 1pn0 h TYR 29 Ca 0.26 -0.20 -0.09 0.00 0.05 0.00 0.00 58.73 58.75 1pn0 h TYR 29 Cb 0.21 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1pn0 h TYR 29 CO 0.02 0.96 -0.01 0.28 -1.05 0.00 0.00 178.16 178.36 1pn0 h VAL 30 N 0.19 1.26 -0.49 -2.88 2.07 -1.10 -0.81 116.25 114.48 1pn0 h VAL 30 Ca -0.04 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 1pn0 h VAL 30 Cb 1.37 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1pn0 h VAL 30 CO 0.13 0.39 0.13 -0.09 0.02 0.00 0.00 177.57 178.15 1pn0 h ARG 31 N 0.85 0.73 -0.01 1.57 2.43 -0.97 -1.64 114.38 117.34 1pn0 h ARG 31 Ca 0.16 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 1pn0 h ARG 31 Cb 0.52 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1pn0 h ARG 31 CO 0.03 0.66 -0.78 1.96 -1.51 0.00 0.00 179.97 180.33 1pn0 h GLN 32 N 0.71 0.12 -2.52 0.20 4.20 -1.07 -3.38 115.11 113.36 1pn0 h GLN 32 Ca 0.16 -0.11 -0.59 0.00 0.06 0.00 0.00 58.65 58.16 1pn0 h GLN 32 Cb 0.25 0.03 -0.39 0.00 0.30 0.00 0.00 27.48 27.67 1pn0 h GLN 32 CO -0.00 0.83 -0.89 0.15 -0.67 0.00 0.00 178.83 178.25 1pn0 s LYS 33 N -3.34 1.07 0.18 1.46 -0.14 -0.34 -5.00 119.74 113.62 1pn0 s LYS 33 Ca -0.02 -2.14 0.15 0.00 -1.36 0.00 0.00 55.97 52.60 1pn0 s LYS 33 Cb 0.11 -1.71 0.74 0.00 -1.68 0.00 0.00 37.83 35.30 1pn0 s LYS 33 CO 0.80 -1.34 1.47 -2.30 -0.76 0.00 0.00 175.35 173.23 1pn0 n PRO 34 N 2.96 0.10 0.26 -1.68 -0.02 -0.64 -0.98 135.00 134.98 1pn0 n PRO 34 Ca 0.25 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 1pn0 n PRO 34 Cb 0.44 -1.75 0.70 0.00 -0.02 0.00 0.00 33.50 32.87 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 -3.81 2.55 3.32 -1.95 -3.44 116.42 113.09 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 0.12 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.77 1pn0 h ASP 35 CO 0.00 0.13 0.79 -0.76 -1.72 0.00 0.00 179.24 177.67 1pn0 s LEU 36 N -7.16 4.34 -0.28 1.55 1.43 -0.16 -4.99 118.68 113.41 1pn0 s LEU 36 Ca -0.02 2.99 0.01 0.00 -1.03 0.00 0.00 54.13 56.07 1pn0 s LEU 36 Cb 0.13 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 42.74 1pn0 s LEU 36 CO 0.59 -0.84 -0.06 -0.75 0.23 0.00 0.00 176.35 175.51 1pn0 s LYS 37 N -1.72 2.31 -0.17 1.70 2.47 -1.26 -4.96 119.74 118.11 1pn0 s LYS 37 Ca 0.55 -1.32 -0.00 0.00 -1.56 0.00 0.00 55.97 53.63 1pn0 s LYS 37 Cb -0.46 -3.02 0.00 0.00 -1.46 0.00 0.00 37.83 32.89 1pn0 s LYS 37 CO 0.59 -0.60 -0.14 0.08 0.16 0.00 0.00 175.35 175.44 1pn0 s VAL 38 N 1.16 2.69 0.12 4.02 1.01 -1.26 -0.66 120.40 127.48 1pn0 s VAL 38 Ca -0.07 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1pn0 s VAL 38 Cb -0.20 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1pn0 s VAL 38 CO -0.03 0.50 -0.19 -0.13 0.00 0.00 0.00 175.10 175.25 1pn0 s ARG 39 N 1.02 1.75 -0.03 2.72 0.52 -0.01 -4.78 118.95 120.13 1pn0 s ARG 39 Ca -0.01 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 1pn0 s ARG 39 Cb -0.15 -2.09 0.03 0.00 0.52 0.00 0.00 34.95 33.26 1pn0 s ARG 39 CO -0.03 0.48 0.00 -1.50 0.02 0.00 0.00 175.30 174.27 1pn0 s ILE 40 N -1.13 0.17 0.26 1.52 2.07 -1.26 -0.19 121.20 122.65 1pn0 s ILE 40 Ca 0.17 0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.60 1pn0 s ILE 40 Cb -0.10 -0.28 -0.05 0.00 0.13 0.00 0.00 42.46 42.16 1pn0 s ILE 40 CO 0.09 0.15 -0.12 0.27 -1.91 0.00 0.00 174.94 173.43 1pn0 s ILE 41 N 1.11 1.91 -0.08 2.00 -4.36 -0.41 -0.76 121.20 120.60 1pn0 s ILE 41 Ca -0.09 -2.22 -0.13 0.00 -0.26 0.00 0.00 60.65 57.95 1pn0 s ILE 41 Cb -0.13 -2.31 0.03 0.00 1.25 0.00 0.00 42.46 41.30 1pn0 s ILE 41 CO -0.02 -0.41 0.34 -0.62 0.24 0.00 0.00 174.94 174.47 1pn0 s ASP 42 N -3.43 -0.29 0.00 4.36 -1.08 -0.62 -0.28 116.67 115.31 1pn0 s ASP 42 Ca 0.28 0.45 0.27 0.00 -0.52 0.00 0.00 52.55 53.03 1pn0 s ASP 42 Cb 0.00 0.55 0.97 0.00 -1.46 0.00 0.00 42.92 42.98 1pn0 s ASP 42 CO 0.11 -0.26 1.70 2.29 0.52 0.00 0.00 175.17 179.53 1pn0 n LYS 43 N 2.22 0.75 -3.69 4.34 2.85 -1.16 -0.87 118.16 122.60 1pn0 n LYS 43 Ca -0.17 -0.37 -0.37 0.00 -1.05 0.00 0.00 58.31 56.36 1pn0 n LYS 43 Cb 0.57 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.40 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 -2.50 3.67 0.40 -1.58 3.52 -1.26 -4.62 118.95 116.57 1pn0 s ARG 44 Ca 0.26 0.10 0.07 0.00 -0.13 0.00 0.00 55.73 56.03 1pn0 s ARG 44 Cb 0.20 -3.16 0.83 0.00 -1.56 0.00 0.00 34.95 31.26 1pn0 s ARG 44 CO 0.50 0.70 2.01 0.77 -0.81 0.00 0.00 175.30 178.48 1pn0 h SER 45 N 4.55 0.41 -4.58 -2.12 0.02 -1.88 -3.39 113.55 106.56 1pn0 h SER 45 Ca -0.52 -0.03 -0.35 0.00 -0.84 0.00 0.00 61.79 60.04 1pn0 h SER 45 Cb 1.22 -0.10 -0.14 0.00 0.14 0.00 0.00 62.40 63.51 1pn0 h SER 45 CO 0.62 0.36 -0.61 0.42 -1.14 0.00 0.00 176.83 176.49 1pn0 s THR 46 N -5.27 0.49 0.99 -2.27 -4.23 -1.26 -4.67 115.64 99.41 1pn0 s THR 46 Ca -0.08 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.31 1pn0 s THR 46 Cb 0.17 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.58 1pn0 s THR 46 CO 0.73 0.00 1.09 -1.59 -0.54 0.00 0.00 174.62 174.32 1pn0 s LYS 47 N -4.01 0.49 0.37 3.99 -2.85 -1.26 -5.02 119.74 111.46 1pn0 s LYS 47 Ca 0.37 0.52 -0.25 0.00 -1.00 0.00 0.00 55.97 55.61 1pn0 s LYS 47 Cb 0.07 -1.74 -0.09 0.00 -2.06 0.00 0.00 37.83 34.01 1pn0 s LYS 47 CO 0.14 -2.69 1.07 0.08 0.10 0.00 0.00 175.35 174.05 1pn0 s VAL 48 N -2.98 3.60 -0.03 1.79 1.01 -1.26 -4.98 120.40 117.56 1pn0 s VAL 48 Ca 0.65 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.98 1pn0 s VAL 48 Cb -0.18 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1pn0 s VAL 48 CO 0.57 0.10 0.07 -1.22 0.00 0.00 0.00 175.10 174.63 1pn0 n TYR 49 N 0.24 0.00 -3.67 5.22 4.01 -1.26 -4.23 117.16 117.47 1pn0 n TYR 49 Ca 0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 1pn0 n TYR 49 Cb 0.48 -0.04 -0.07 0.00 -0.31 0.00 0.00 39.34 39.40 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 -2.04 -0.31 0.81 7.72 0.01 -1.26 -4.62 114.94 115.27 1pn0 s ASN 50 Ca -0.00 0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1pn0 s ASN 50 Cb 0.02 0.41 0.00 0.00 0.41 0.00 0.00 41.25 42.09 1pn0 s ASN 50 CO 0.11 -0.60 0.00 0.61 -1.51 0.00 0.00 177.10 175.71 1pn0 n GLY 51 N 0.77 1.74 7.00 0.66 0.00 -1.26 -4.78 105.19 109.32 1pn0 n GLY 51 Ca -0.19 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 7.58 0.00 -2.00 1.61 6.02 -1.26 -2.89 117.38 126.44 1pn0 n GLN 52 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1pn0 n GLN 52 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 1pn0 n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pn0 s ALA 53 N -1.87 2.92 0.00 -1.58 0.00 -1.26 -4.77 121.76 115.20 1pn0 s ALA 53 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1pn0 s ALA 53 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1pn0 s ALA 53 CO 0.00 -1.03 0.03 -0.40 0.00 0.00 0.00 175.76 174.36 1pn0 n ASP 54 N -0.71 0.00 -4.70 0.00 5.68 -1.26 -0.55 116.55 115.01 1pn0 n ASP 54 Ca 0.09 -1.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.03 1pn0 n ASP 54 Cb 0.46 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.36 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 2.00 -0.18 6.12 0.00 -1.26 -0.30 107.32 113.70 1pn0 s GLY 55 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1pn0 s GLY 55 CO 0.00 0.13 -0.17 1.08 0.00 0.00 0.00 173.10 174.14 1pn0 s LEU 56 N 0.39 2.11 0.63 0.66 1.43 0.01 -4.34 118.68 119.56 1pn0 s LEU 56 Ca 0.07 -0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1pn0 s LEU 56 Cb -0.11 -1.37 0.07 0.00 0.03 0.00 0.00 46.19 44.81 1pn0 s LEU 56 CO -0.01 -0.05 0.88 -1.10 0.23 0.00 0.00 176.35 176.30 1pn0 s GLN 57 N 1.35 2.20 0.13 1.70 -1.52 -1.26 -1.61 119.66 120.64 1pn0 s GLN 57 Ca 0.03 -0.85 -0.29 0.00 -1.95 0.00 0.00 55.36 52.31 1pn0 s GLN 57 Cb -0.14 -2.40 -0.05 0.00 -0.22 0.00 0.00 33.01 30.20 1pn0 s GLN 57 CO -0.11 -1.03 1.59 0.00 -0.25 0.00 0.00 175.29 175.48 1pn0 h ARG 59 N -0.49 0.68 -0.67 0.00 9.65 -1.48 -0.80 114.38 121.27 1pn0 h ARG 59 Ca 0.07 -0.19 0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1pn0 h ARG 59 Cb 0.62 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 1pn0 h ARG 59 CO -0.38 0.74 0.42 1.15 2.80 0.00 0.00 179.97 184.70 1pn0 h THR 60 N 0.63 1.10 -0.56 0.20 2.02 -1.63 -1.21 112.91 113.47 1pn0 h THR 60 Ca 0.12 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1pn0 h THR 60 Cb 0.48 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1pn0 h THR 60 CO 0.03 0.15 0.16 -0.07 0.37 0.00 0.00 175.52 176.16 1pn0 h LEU 61 N 0.84 0.83 -0.90 2.58 3.38 -0.54 0.24 115.31 121.74 1pn0 h LEU 61 Ca 0.27 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1pn0 h LEU 61 Cb 0.00 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 1pn0 h LEU 61 CO -0.10 0.83 0.55 -0.33 0.09 0.00 0.00 178.44 179.48 1pn0 h GLU 62 N 0.78 0.94 -0.19 1.13 5.08 -0.84 0.65 114.58 122.15 1pn0 h GLU 62 Ca 0.18 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 1pn0 h GLU 62 Cb 0.31 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1pn0 h GLU 62 CO -0.00 0.62 -0.73 0.77 -1.00 0.00 0.00 179.01 178.67 1pn0 h SER 63 N 0.97 0.96 -0.33 1.42 0.02 -0.75 -2.60 113.55 113.25 1pn0 h SER 63 Ca 0.41 -0.61 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1pn0 h SER 63 Cb 0.25 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1pn0 h SER 63 CO -0.20 1.41 0.05 -0.07 -1.14 0.00 0.00 176.83 176.88 1pn0 h LEU 64 N 0.58 0.60 -0.45 5.07 3.38 -0.12 -2.03 115.31 122.34 1pn0 h LEU 64 Ca -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1pn0 h LEU 64 Cb 1.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1pn0 h LEU 64 CO 0.15 0.64 0.23 0.50 0.09 0.00 0.00 178.44 180.06 1pn0 h LYS 65 N 0.62 0.64 0.00 1.13 1.63 -0.74 -0.30 116.57 119.55 1pn0 h LYS 65 Ca 0.13 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1pn0 h LYS 65 Cb 0.32 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1pn0 h LYS 65 CO 0.01 0.52 0.00 0.09 -3.45 0.00 0.00 179.45 176.62 1pn0 n ASN 66 N -4.67 0.08 -0.65 4.20 5.03 -0.80 -1.27 115.26 117.18 1pn0 n ASN 66 Ca 0.01 0.53 0.07 0.00 0.87 0.00 0.00 54.58 56.06 1pn0 n ASN 66 Cb 0.10 -0.54 0.09 0.00 -1.02 0.00 0.00 39.78 38.41 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 -1.60 2.46 -0.17 3.41 4.77 -0.30 -0.39 117.00 125.19 1pn0 n LEU 67 Ca 0.01 -1.23 -0.02 0.00 -0.03 0.00 0.00 56.01 54.75 1pn0 n LEU 67 Cb 0.08 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1pn0 n LEU 67 CO 0.07 0.50 -0.02 0.61 -1.33 0.00 0.00 177.39 177.22 1pn0 n GLY 68 N 0.84 0.47 0.00 -0.72 0.00 -0.40 -4.93 105.19 100.45 1pn0 n GLY 68 Ca 0.10 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.24 0.13 -0.02 0.99 4.77 -0.28 -4.78 117.00 117.58 1pn0 n LEU 69 Ca -0.02 -0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.65 1pn0 n LEU 69 Cb 0.18 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1pn0 n LEU 69 CO 0.03 0.03 0.77 0.00 -1.33 0.00 0.00 177.39 176.89 1pn0 h ALA 70 N 0.82 0.11 -0.87 -1.18 0.00 -1.80 -2.90 119.26 113.43 1pn0 h ALA 70 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1pn0 h ALA 70 Cb 0.28 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1pn0 h ALA 70 CO 0.00 -0.25 0.51 -0.44 0.00 0.00 0.00 179.25 179.07 1pn0 h ASP 71 N -0.09 1.06 -0.61 0.00 3.32 -1.91 0.22 116.42 118.40 1pn0 h ASP 71 Ca 0.02 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1pn0 h ASP 71 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1pn0 h ASP 71 CO 0.00 0.82 0.13 0.11 -1.72 0.00 0.00 179.24 178.58 1pn0 h LYS 72 N 1.20 0.99 -0.27 3.56 1.57 -1.87 -0.78 116.57 120.97 1pn0 h LYS 72 Ca 0.31 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1pn0 h LYS 72 Cb -0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1pn0 h LYS 72 CO -0.06 0.92 0.03 0.82 -0.57 0.00 0.00 179.45 180.59 1pn0 h ILE 73 N 0.91 1.24 0.00 1.86 2.04 -1.15 -2.93 117.51 119.47 1pn0 h ILE 73 Ca 0.19 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1pn0 h ILE 73 Cb 0.38 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1pn0 h ILE 73 CO 0.01 0.26 -0.04 -0.07 0.00 0.00 0.00 178.15 178.31 1pn0 h LEU 74 N 0.26 0.00 -1.24 1.44 3.38 -0.30 -1.06 115.31 117.79 1pn0 h LEU 74 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pn0 h LEU 74 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1pn0 h LEU 74 CO 0.01 0.04 0.00 0.77 0.09 0.00 0.00 178.44 179.35 1pn0 h SER 75 N 0.00 0.00 0.00 -0.43 4.64 -0.95 -3.25 113.55 113.56 1pn0 h SER 75 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pn0 h SER 75 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1pn0 h SER 75 CO 0.01 0.00 -1.01 -0.62 -0.87 0.00 0.00 176.83 174.33 1pn0 n GLU 76 N -2.53 2.74 -1.43 4.77 1.02 -0.60 -5.09 120.64 119.53 1pn0 n GLU 76 Ca 0.01 -0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1pn0 n GLU 76 Cb 0.20 -1.01 0.09 0.00 -0.02 0.00 0.00 31.44 30.70 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 -2.01 2.28 -0.14 0.62 0.00 -0.50 -4.72 121.76 117.28 1pn0 s ALA 77 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 1pn0 s ALA 77 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1pn0 s ALA 77 CO 0.01 -1.67 -0.08 1.21 0.00 0.00 0.00 175.76 175.23 1pn0 s ASN 78 N -3.67 4.41 -0.52 0.00 2.47 -0.30 -4.87 114.94 112.46 1pn0 s ASN 78 Ca 0.60 -0.23 -0.21 0.00 0.42 0.00 0.00 52.86 53.45 1pn0 s ASN 78 Cb -0.15 -1.70 0.05 0.00 -1.45 0.00 0.00 41.25 38.00 1pn0 s ASN 78 CO 0.55 0.16 0.72 -0.62 -3.72 0.00 0.00 177.10 174.20 1pn0 s ASP 79 N 0.37 6.26 0.60 -4.21 2.15 -1.26 -0.95 116.67 119.63 1pn0 s ASP 79 Ca -0.07 -0.72 0.35 0.00 0.43 0.00 0.00 52.55 52.53 1pn0 s ASP 79 Cb -0.15 -2.34 1.89 0.00 -0.30 0.00 0.00 42.92 42.03 1pn0 s ASP 79 CO 0.04 -0.99 2.22 0.24 -0.17 0.00 0.00 175.17 176.51 1pn0 h MET 80 N 9.09 0.00 0.00 4.34 2.86 -1.84 -3.46 114.93 125.92 1pn0 h MET 80 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1pn0 h MET 80 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1pn0 h MET 80 CO 1.00 0.03 0.00 0.43 1.06 0.00 0.00 176.91 179.43 1pn0 n SER 81 N -3.46 0.00 -4.25 1.22 7.64 -1.26 -4.02 113.62 109.48 1pn0 n SER 81 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.61 1pn0 n SER 81 Cb 0.14 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.29 0.44 2.01 -1.26 -1.47 115.64 116.69 1pn0 s THR 82 Ca 0.00 -1.31 -0.04 0.00 0.31 0.00 0.00 61.69 60.65 1pn0 s THR 82 Cb 0.00 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.10 1pn0 s THR 82 CO 0.00 0.07 0.02 -0.63 -0.69 0.00 0.00 174.62 173.40 1pn0 s ILE 83 N -0.95 3.39 -0.08 1.82 1.01 0.54 -1.97 121.20 124.96 1pn0 s ILE 83 Ca 0.06 -1.00 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 1pn0 s ILE 83 Cb -0.09 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1pn0 s ILE 83 CO 0.03 0.04 0.40 0.00 0.00 0.00 0.00 174.94 175.41 1pn0 s ALA 84 N 1.38 3.59 -0.24 9.38 0.00 0.06 -1.34 121.76 134.59 1pn0 s ALA 84 Ca -0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 1pn0 s ALA 84 Cb -0.18 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1pn0 s ALA 84 CO -0.00 0.21 0.07 -0.51 0.00 0.00 0.00 175.76 175.53 1pn0 s LEU 85 N -0.08 3.51 -0.03 0.00 1.43 -0.27 -1.22 118.68 122.02 1pn0 s LEU 85 Ca 0.23 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 1pn0 s LEU 85 Cb -0.15 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1pn0 s LEU 85 CO 0.10 -0.01 -0.24 -0.31 0.23 0.00 0.00 176.35 176.12 1pn0 s TYR 86 N 1.46 2.39 0.24 0.29 1.51 0.10 -0.71 117.35 122.63 1pn0 s TYR 86 Ca 0.06 -0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 55.54 1pn0 s TYR 86 Cb -0.15 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1pn0 s TYR 86 CO 0.04 -0.02 0.56 0.54 -1.11 0.00 0.00 175.55 175.56 1pn0 s ASN 87 N -0.60 -0.18 0.38 2.29 2.20 -0.70 -1.74 114.94 116.58 1pn0 s ASN 87 Ca 0.09 -0.72 -0.24 0.00 -0.94 0.00 0.00 52.86 51.05 1pn0 s ASN 87 Cb -0.10 0.63 -0.10 0.00 -2.00 0.00 0.00 41.25 39.68 1pn0 s ASN 87 CO -0.01 -1.18 0.99 -2.84 -2.94 0.00 0.00 177.10 171.12 1pn0 s PRO 88 N -3.95 4.34 0.00 3.55 0.02 -1.23 -1.38 135.00 136.35 1pn0 s PRO 88 Ca 0.16 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.54 1pn0 s PRO 88 Cb -0.02 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.92 1pn0 s PRO 88 CO 0.05 0.04 0.00 -0.40 -0.33 0.00 0.00 177.00 176.37 1pn0 n ASP 89 N 0.07 0.00 0.30 2.53 5.68 -0.34 -4.88 116.55 119.91 1pn0 n ASP 89 Ca 0.04 -0.88 0.18 0.00 -0.50 0.00 0.00 54.79 53.64 1pn0 n ASP 89 Cb 0.51 0.00 0.97 0.00 -1.14 0.00 0.00 41.12 41.46 1pn0 n ASP 89 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1pn0 h GLU 90 N 0.00 0.00 -0.21 0.11 9.09 -1.98 0.40 114.58 121.99 1pn0 h GLU 90 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1pn0 h GLU 90 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1pn0 h GLU 90 CO 0.00 0.03 0.00 0.09 0.05 0.00 0.00 179.01 179.18 1pn0 n ASN 91 N -3.32 2.59 -0.20 3.06 5.03 -1.26 -4.93 115.26 116.22 1pn0 n ASN 91 Ca -0.02 -1.85 -0.03 0.00 0.87 0.00 0.00 54.58 53.55 1pn0 n ASN 91 Cb 0.15 -0.13 -0.01 0.00 -1.02 0.00 0.00 39.78 38.77 1pn0 n ASN 91 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pn0 n GLY 92 N 1.32 0.59 3.75 7.41 0.00 0.13 -5.02 105.19 113.37 1pn0 n GLY 92 Ca 0.17 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.05 3.56 0.31 1.61 3.76 -1.26 -4.64 115.29 116.59 1pn0 s HIS 93 Ca 0.00 0.92 -0.29 0.00 -0.15 0.00 0.00 55.06 55.54 1pn0 s HIS 93 Cb 0.00 -2.50 -0.10 0.00 1.11 0.00 0.00 32.58 31.09 1pn0 s HIS 93 CO 0.00 0.27 1.21 0.96 -0.85 0.00 0.00 174.74 176.33 1pn0 s ILE 94 N 0.23 3.08 0.04 0.60 -4.36 -1.25 -1.20 121.20 118.35 1pn0 s ILE 94 Ca 0.25 1.08 -0.08 0.00 -0.26 0.00 0.00 60.65 61.64 1pn0 s ILE 94 Cb -0.16 -3.68 -0.00 0.00 1.25 0.00 0.00 42.46 39.87 1pn0 s ILE 94 CO 0.11 0.25 0.15 0.00 0.24 0.00 0.00 174.94 175.69 1pn0 s ARG 95 N -1.69 0.66 -0.34 0.37 3.03 -0.48 -4.85 118.95 115.66 1pn0 s ARG 95 Ca 0.48 -0.70 -0.29 0.00 2.03 0.00 0.00 55.73 57.25 1pn0 s ARG 95 Cb -0.36 0.27 0.01 0.00 -1.03 0.00 0.00 34.95 33.84 1pn0 s ARG 95 CO 0.47 -0.18 1.14 0.50 -1.13 0.00 0.00 175.30 176.10 1pn0 s ARG 96 N -2.64 3.99 -0.02 3.89 3.52 -1.26 -1.72 118.95 124.70 1pn0 s ARG 96 Ca -0.05 1.05 0.20 0.00 -0.13 0.00 0.00 55.73 56.80 1pn0 s ARG 96 Cb -0.01 -3.79 -0.29 0.00 -1.56 0.00 0.00 34.95 29.30 1pn0 s ARG 96 CO -0.04 -1.02 0.51 0.25 -0.81 0.00 0.00 175.30 174.18 1pn0 n THR 97 N 6.08 0.00 -3.68 4.11 -2.24 0.11 -4.99 114.28 113.67 1pn0 n THR 97 Ca 0.13 -0.37 -0.06 0.00 -2.27 0.00 0.00 64.05 61.48 1pn0 n THR 97 Cb 0.47 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 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 -3.97 -0.28 -0.01 3.42 -1.08 -1.21 -5.03 116.67 108.51 1pn0 s ASP 98 Ca -0.04 -0.30 0.02 0.00 -0.52 0.00 0.00 52.55 51.70 1pn0 s ASP 98 Cb 0.13 0.52 -0.00 0.00 -1.46 0.00 0.00 42.92 42.11 1pn0 s ASP 98 CO 0.81 -0.92 -0.05 -0.13 0.52 0.00 0.00 175.17 175.40 1pn0 s ARG 99 N -3.41 0.46 0.13 4.34 0.52 -1.26 -1.11 118.95 118.61 1pn0 s ARG 99 Ca 0.09 -0.18 0.05 0.00 -0.52 0.00 0.00 55.73 55.17 1pn0 s ARG 99 Cb -0.02 -0.45 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 1pn0 s ARG 99 CO -0.01 0.09 -0.12 0.96 0.02 0.00 0.00 175.30 176.25 1pn0 s ILE 100 N -0.01 1.18 0.31 1.52 -4.36 -0.45 -4.99 121.20 114.40 1pn0 s ILE 100 Ca 0.01 -1.84 -0.29 0.00 -0.26 0.00 0.00 60.65 58.27 1pn0 s ILE 100 Cb -0.03 -1.61 -0.10 0.00 1.25 0.00 0.00 42.46 41.96 1pn0 s ILE 100 CO -0.00 -0.58 1.19 -2.16 0.24 0.00 0.00 174.94 173.63 1pn0 s PRO 101 N -3.12 4.49 0.31 0.37 0.04 -1.26 -0.34 135.00 135.49 1pn0 s PRO 101 Ca 0.11 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.23 1pn0 s PRO 101 Cb -0.02 -3.11 0.49 0.00 0.04 0.00 0.00 34.50 31.90 1pn0 s PRO 101 CO 0.02 0.02 1.69 0.22 0.04 0.00 0.00 177.00 178.99 1pn0 h ASP 102 N 3.57 0.01 -3.71 6.66 3.58 -1.53 -3.42 116.42 121.58 1pn0 h ASP 102 Ca -0.48 -0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.31 1pn0 h ASP 102 Cb 1.22 -0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.95 1pn0 h ASP 102 CO 0.66 0.53 -0.87 -0.89 -2.88 0.00 0.00 179.24 175.79 1pn0 s THR 103 N -3.83 1.91 0.12 2.25 2.01 -1.26 -4.87 115.64 111.97 1pn0 s THR 103 Ca -0.02 -0.96 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 1pn0 s THR 103 Cb 0.13 -1.64 -0.09 0.00 0.01 0.00 0.00 72.50 70.92 1pn0 s THR 103 CO 0.75 0.53 1.50 -0.76 -0.69 0.00 0.00 174.62 175.95 1pn0 s LEU 104 N 0.11 4.37 0.22 4.42 1.43 -1.26 -4.91 118.68 123.05 1pn0 s LEU 104 Ca -0.10 2.46 -0.32 0.00 -1.03 0.00 0.00 54.13 55.14 1pn0 s LEU 104 Cb -0.15 -3.58 -0.14 0.00 0.03 0.00 0.00 46.19 42.34 1pn0 s LEU 104 CO 0.05 -0.76 1.37 -2.65 0.23 0.00 0.00 176.35 174.60 1pn0 n PRO 105 N 4.25 1.85 -0.70 1.29 -0.02 -1.26 -2.20 135.00 138.22 1pn0 n PRO 105 Ca 0.13 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1pn0 n PRO 105 Cb 0.41 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 2.21 1.41 0.18 -1.23 0.00 -1.26 -4.89 105.19 101.60 1pn0 n GLY 106 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 0.77 -2.47 -0.61 2.10 -1.83 -3.46 117.51 112.01 1pn0 h ILE 107 Ca 0.00 -1.72 0.08 0.00 1.08 0.00 0.00 64.86 64.30 1pn0 h ILE 107 Cb 0.00 2.12 -0.14 0.00 -1.09 0.00 0.00 36.82 37.71 1pn0 h ILE 107 CO 0.00 0.38 0.42 -0.55 -1.08 0.00 0.00 178.15 177.32 1pn0 s SER 108 N -6.38 -0.40 0.20 2.19 0.15 -1.26 -5.01 113.70 103.19 1pn0 s SER 108 Ca 0.02 -0.04 0.26 0.00 0.70 0.00 0.00 55.95 56.89 1pn0 s SER 108 Cb 0.09 0.45 0.85 0.00 -1.71 0.00 0.00 66.02 65.70 1pn0 s SER 108 CO 0.70 -0.74 1.78 -2.11 1.20 0.00 0.00 173.24 174.07 1pn0 n ARG 109 N -0.30 0.24 -3.97 5.44 1.85 -1.26 -4.73 116.66 113.94 1pn0 n ARG 109 Ca -0.10 0.22 -0.31 0.00 -1.00 0.00 0.00 57.85 56.65 1pn0 n ARG 109 Cb 0.62 -1.79 -0.05 0.00 -1.05 0.00 0.00 32.46 30.19 1pn0 n ARG 109 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1pn0 s TYR 110 N -3.11 3.42 0.17 2.89 2.02 -1.26 -5.11 117.35 116.37 1pn0 s TYR 110 Ca 0.10 0.22 0.05 0.00 -0.37 0.00 0.00 57.07 57.07 1pn0 s TYR 110 Cb 0.13 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 1pn0 s TYR 110 CO 0.58 0.58 0.13 -1.01 -1.57 0.00 0.00 175.55 174.25 1pn0 s HIS 111 N -1.43 3.12 0.30 2.71 3.76 -1.26 -4.75 115.29 117.73 1pn0 s HIS 111 Ca 0.32 -0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 1pn0 s HIS 111 Cb -0.13 -1.49 -0.13 0.00 1.11 0.00 0.00 32.58 31.94 1pn0 s HIS 111 CO 0.24 0.52 1.16 0.94 -0.85 0.00 0.00 174.74 176.75 1pn0 n GLN 112 N -0.39 1.71 -4.21 1.40 7.27 -1.26 -4.71 117.38 117.18 1pn0 n GLN 112 Ca -0.08 0.60 -0.12 0.00 0.07 0.00 0.00 57.00 57.46 1pn0 n GLN 112 Cb 0.55 -2.08 -0.10 0.00 2.41 0.00 0.00 30.24 31.02 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 -0.94 0.33 0.01 1.69 -7.23 -0.63 -4.36 120.40 109.27 1pn0 s VAL 113 Ca 0.59 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1pn0 s VAL 113 Cb -0.65 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1pn0 s VAL 113 CO 0.60 -0.33 -0.14 0.68 -0.31 0.00 0.00 175.10 175.59 1pn0 s VAL 114 N -3.90 1.11 -0.28 1.32 -7.23 -0.13 -0.81 120.40 110.48 1pn0 s VAL 114 Ca 0.28 -0.80 -0.24 0.00 -1.81 0.00 0.00 61.98 59.42 1pn0 s VAL 114 Cb 0.07 -0.97 0.12 0.00 0.56 0.00 0.00 36.38 36.16 1pn0 s VAL 114 CO 0.06 0.16 1.00 -0.22 -0.31 0.00 0.00 175.10 175.79 1pn0 s LEU 115 N -0.73 -0.49 0.76 1.32 2.96 0.58 -1.15 118.68 121.94 1pn0 s LEU 115 Ca 0.04 0.92 -0.11 0.00 -0.22 0.00 0.00 54.13 54.76 1pn0 s LEU 115 Cb -0.07 1.92 0.05 0.00 0.50 0.00 0.00 46.19 48.59 1pn0 s LEU 115 CO 0.00 -0.16 1.08 -1.38 -1.32 0.00 0.00 176.35 174.58 1pn0 s HIS 116 N 0.36 2.74 0.46 5.38 -3.43 -1.26 -4.27 115.29 115.27 1pn0 s HIS 116 Ca 0.02 1.49 0.14 0.00 -0.80 0.00 0.00 55.06 55.90 1pn0 s HIS 116 Cb -0.05 -3.00 1.09 0.00 -1.43 0.00 0.00 32.58 29.19 1pn0 s HIS 116 CO -0.07 -1.65 2.05 0.37 -2.00 0.00 0.00 174.74 173.45 1pn0 h GLN 117 N -1.02 0.28 -1.00 -0.38 4.15 -0.69 -1.33 115.11 115.12 1pn0 h GLN 117 Ca -0.44 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.99 1pn0 h GLN 117 Cb 1.23 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.80 1pn0 h GLN 117 CO 0.53 0.19 0.66 0.78 -1.93 0.00 0.00 178.83 179.06 1pn0 h GLY 118 N 0.29 1.45 1.43 2.39 0.00 -1.78 0.37 103.07 107.22 1pn0 h GLY 118 Ca 0.16 -0.51 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 1pn0 h GLY 118 CO -0.03 0.45 -0.71 3.21 0.00 0.00 0.00 176.54 179.46 1pn0 h ARG 119 N 1.29 0.57 -0.14 4.80 2.47 -1.55 -1.34 114.38 120.48 1pn0 h ARG 119 Ca 0.39 -0.44 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1pn0 h ARG 119 Cb -0.03 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1pn0 h ARG 119 CO -0.11 1.06 0.04 0.82 0.56 0.00 0.00 179.97 182.34 1pn0 h ILE 120 N 0.40 1.20 -0.96 2.04 1.08 -1.27 -1.45 117.51 118.54 1pn0 h ILE 120 Ca -0.03 -0.61 0.10 0.00 -0.39 0.00 0.00 64.86 63.93 1pn0 h ILE 120 Cb 1.30 1.34 -0.07 0.00 -3.07 0.00 0.00 36.82 36.31 1pn0 h ILE 120 CO 0.13 0.18 0.62 -0.33 -0.69 0.00 0.00 178.15 178.06 1pn0 h GLU 121 N 0.03 0.96 -0.19 2.37 5.08 -0.21 -1.57 114.58 121.06 1pn0 h GLU 121 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1pn0 h GLU 121 Cb 0.25 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1pn0 h GLU 121 CO 0.00 0.64 0.07 -0.09 -1.00 0.00 0.00 179.01 178.62 1pn0 h ARG 122 N 0.99 0.29 -0.57 2.33 9.65 -0.67 0.31 114.38 126.71 1pn0 h ARG 122 Ca 0.45 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 59.23 1pn0 h ARG 122 Cb 0.40 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 1pn0 h ARG 122 CO -0.21 0.37 0.16 0.00 2.80 0.00 0.00 179.97 183.09 1pn0 h ARG 123 N 0.14 0.90 -0.36 0.20 2.47 -0.85 -1.06 114.38 115.82 1pn0 h ARG 123 Ca 0.06 -0.20 -0.13 0.00 -1.26 0.00 0.00 59.98 58.45 1pn0 h ARG 123 Cb 0.20 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1pn0 h ARG 123 CO -0.00 0.82 -0.27 0.82 0.56 0.00 0.00 179.97 181.90 1pn0 h ILE 124 N 0.81 1.28 -0.53 2.04 2.04 -1.08 -2.16 117.51 119.91 1pn0 h ILE 124 Ca 0.18 -1.43 0.07 0.00 1.00 0.00 0.00 64.86 64.68 1pn0 h ILE 124 Cb 0.31 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1pn0 h ILE 124 CO -0.00 0.47 0.20 -0.07 0.00 0.00 0.00 178.15 178.75 1pn0 h LEU 125 N 0.61 0.22 -0.85 1.44 3.38 -0.73 -0.59 115.31 118.79 1pn0 h LEU 125 Ca 0.07 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1pn0 h LEU 125 Cb 0.84 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1pn0 h LEU 125 CO 0.07 0.15 0.49 0.44 0.09 0.00 0.00 178.44 179.68 1pn0 h ASP 126 N 0.39 1.05 -0.52 -0.43 3.32 -0.99 -1.83 116.42 117.41 1pn0 h ASP 126 Ca 0.26 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1pn0 h ASP 126 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1pn0 h ASP 126 CO -0.25 0.83 -0.08 -1.28 -1.72 0.00 0.00 179.24 176.74 1pn0 h SER 127 N 1.18 0.98 -0.59 6.45 0.87 -0.93 -1.75 113.55 119.77 1pn0 h SER 127 Ca 0.30 -0.31 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1pn0 h SER 127 Cb -0.00 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.64 1pn0 h SER 127 CO -0.05 1.08 0.33 0.40 -0.53 0.00 0.00 176.83 178.05 1pn0 h ILE 128 N 0.89 0.99 -0.42 2.23 2.04 -0.91 0.50 117.51 122.83 1pn0 h ILE 128 Ca 0.15 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1pn0 h ILE 128 Cb 0.63 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1pn0 h ILE 128 CO 0.04 0.11 0.27 0.00 0.00 0.00 0.00 178.15 178.58 1pn0 h ALA 129 N 1.30 0.53 0.49 1.87 0.00 -1.02 -0.70 119.26 121.73 1pn0 h ALA 129 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1pn0 h ALA 129 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pn0 h ALA 129 CO -0.15 -0.03 -0.24 1.49 0.00 0.00 0.00 179.25 180.33 1pn0 h GLU 130 N 0.55 -0.63 -0.57 0.00 4.81 -0.97 -0.56 114.58 117.20 1pn0 h GLU 130 Ca 0.16 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1pn0 h GLU 130 Cb -0.05 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1pn0 h GLU 130 CO -0.04 -0.37 0.00 0.82 -0.73 0.00 0.00 179.01 178.69 1pn0 h ILE 131 N -0.78 1.26 -0.00 2.32 1.08 -0.88 -2.81 117.51 117.69 1pn0 h ILE 131 Ca -0.07 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.27 1pn0 h ILE 131 Cb 0.56 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1pn0 h ILE 131 CO 0.11 0.41 -0.30 -1.54 -0.69 0.00 0.00 178.15 176.14 1pn0 n SER 132 N -4.23 0.60 -3.66 1.72 3.41 -0.28 -4.63 113.62 106.55 1pn0 n SER 132 Ca 0.02 -0.42 -0.26 0.00 -0.26 0.00 0.00 58.87 57.95 1pn0 n SER 132 Cb 0.34 0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.14 -3.99 -0.61 4.04 2.03 -0.39 -1.19 116.55 115.31 1pn0 n ASP 133 Ca 0.09 -0.93 -0.04 0.00 0.52 0.00 0.00 54.79 54.44 1pn0 n ASP 133 Cb 0.33 -3.75 -0.02 0.00 -0.72 0.00 0.00 41.12 36.96 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 -4.10 0.00 0.54 5.18 -2.24 -0.36 -4.78 114.28 108.53 1pn0 n THR 134 Ca -0.16 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1pn0 n THR 134 Cb 0.63 -0.57 0.45 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.56 0.14 -4.06 -0.78 1.74 -0.33 -4.49 116.66 108.32 1pn0 n ARG 135 Ca -0.04 0.29 -0.32 0.00 -0.77 0.00 0.00 57.85 57.01 1pn0 n ARG 135 Cb 0.23 -1.72 -0.16 0.00 -1.02 0.00 0.00 32.46 29.79 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 -3.16 1.83 0.03 0.55 1.01 -1.26 -4.87 121.20 115.33 1pn0 s ILE 136 Ca 0.07 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1pn0 s ILE 136 Cb 0.11 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1pn0 s ILE 136 CO 0.42 0.43 -0.11 -0.54 0.00 0.00 0.00 174.94 175.14 1pn0 s LYS 137 N 1.37 0.76 0.05 2.79 1.02 -1.26 -4.68 119.74 119.79 1pn0 s LYS 137 Ca 0.04 -0.65 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 1pn0 s LYS 137 Cb -0.14 -0.71 -0.06 0.00 -0.52 0.00 0.00 37.83 36.41 1pn0 s LYS 137 CO -0.11 0.17 1.24 0.08 -0.92 0.00 0.00 175.35 175.81 1pn0 s VAL 138 N -0.83 3.95 -0.26 3.17 1.01 -1.26 -4.39 120.40 121.79 1pn0 s VAL 138 Ca -0.01 1.38 -0.10 0.00 0.00 0.00 0.00 61.98 63.25 1pn0 s VAL 138 Cb -0.07 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1pn0 s VAL 138 CO 0.01 0.08 0.17 -1.61 0.00 0.00 0.00 175.10 173.74 1pn0 s GLU 139 N 1.36 3.97 -0.07 2.72 2.02 0.06 -4.99 118.70 123.77 1pn0 s GLU 139 Ca 0.59 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.97 1pn0 s GLU 139 Cb -0.30 -3.58 0.07 0.00 0.10 0.00 0.00 34.13 30.42 1pn0 s GLU 139 CO 0.28 -0.09 0.67 -0.98 0.02 0.00 0.00 175.26 175.16 1pn0 s ARG 140 N 1.47 1.02 -0.17 1.61 1.70 -1.26 -1.59 118.95 121.73 1pn0 s ARG 140 Ca 0.07 0.30 -0.22 0.00 -0.47 0.00 0.00 55.73 55.41 1pn0 s ARG 140 Cb -0.15 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 1pn0 s ARG 140 CO 0.08 -0.30 0.69 -1.25 -1.08 0.00 0.00 175.30 173.43 1pn0 s PRO 141 N -1.07 4.26 0.04 3.89 0.04 -1.26 -4.07 135.00 136.84 1pn0 s PRO 141 Ca -0.10 0.75 0.05 0.00 0.04 0.00 0.00 61.00 61.73 1pn0 s PRO 141 Cb -0.01 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 1pn0 s PRO 141 CO 0.09 -0.22 -0.14 -0.51 0.04 0.00 0.00 177.00 176.26 1pn0 s LEU 142 N 1.81 2.19 -0.02 -3.56 1.02 -0.05 -1.20 118.68 118.87 1pn0 s LEU 142 Ca 0.32 -0.49 -0.01 0.00 0.02 0.00 0.00 54.13 53.98 1pn0 s LEU 142 Cb -0.16 -0.58 0.02 0.00 0.02 0.00 0.00 46.19 45.49 1pn0 s LEU 142 CO 0.12 0.01 0.04 -0.51 0.02 0.00 0.00 176.35 176.03 1pn0 s ILE 143 N -0.93 -0.03 0.34 -0.59 2.07 -0.33 -2.97 121.20 118.76 1pn0 s ILE 143 Ca 0.01 0.09 -0.28 0.00 -1.41 0.00 0.00 60.65 59.06 1pn0 s ILE 143 Cb -0.08 -0.08 -0.10 0.00 0.13 0.00 0.00 42.46 42.33 1pn0 s ILE 143 CO 0.01 0.04 1.24 -2.84 -1.91 0.00 0.00 174.94 171.49 1pn0 s PRO 144 N 0.50 4.32 -0.02 3.50 0.02 -1.26 -0.21 135.00 141.84 1pn0 s PRO 144 Ca -0.04 2.07 0.06 0.00 0.02 0.00 0.00 61.00 63.11 1pn0 s PRO 144 Cb -0.06 -2.99 -0.10 0.00 0.02 0.00 0.00 34.50 31.37 1pn0 s PRO 144 CO -0.02 -0.17 0.12 0.39 -0.33 0.00 0.00 177.00 176.99 1pn0 n GLU 145 N 0.68 0.86 -3.66 5.54 1.02 0.10 -4.88 120.64 120.29 1pn0 n GLU 145 Ca 0.01 -0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 56.95 1pn0 n GLU 145 Cb 0.43 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 30.61 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 -2.39 0.75 -0.05 3.49 2.20 -1.18 -4.98 119.74 117.57 1pn0 s LYS 146 Ca -0.03 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 1pn0 s LYS 146 Cb 0.04 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.74 1pn0 s LYS 146 CO 0.27 -0.17 -0.03 1.41 -0.36 0.00 0.00 175.35 176.48 1pn0 s MET 147 N -0.47 0.72 -0.08 4.03 -2.45 -1.26 -0.20 119.30 119.59 1pn0 s MET 147 Ca -0.06 -0.02 0.04 0.00 -1.25 0.00 0.00 55.69 54.39 1pn0 s MET 147 Cb -0.03 -0.85 0.00 0.00 1.25 0.00 0.00 34.83 35.20 1pn0 s MET 147 CO 0.04 -0.16 -0.20 -1.21 1.05 0.00 0.00 175.02 174.55 1pn0 s GLU 148 N 1.26 2.46 -0.14 4.11 2.02 -0.11 -4.98 118.70 123.32 1pn0 s GLU 148 Ca -0.06 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.25 1pn0 s GLU 148 Cb -0.14 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.17 1pn0 s GLU 148 CO -0.02 0.15 -0.22 0.42 0.02 0.00 0.00 175.26 175.61 1pn0 s ILE 149 N 0.38 2.07 -0.62 -1.63 1.01 -1.26 -0.60 121.20 120.55 1pn0 s ILE 149 Ca -0.15 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.36 1pn0 s ILE 149 Cb -0.16 -1.83 0.13 0.00 0.01 0.00 0.00 42.46 40.61 1pn0 s ILE 149 CO 0.06 0.55 0.64 -0.62 0.00 0.00 0.00 174.94 175.57 1pn0 s ASP 150 N 0.80 6.29 0.54 3.58 -1.08 -0.01 -4.92 116.67 121.88 1pn0 s ASP 150 Ca -0.07 -1.81 0.33 0.00 -0.52 0.00 0.00 52.55 50.47 1pn0 s ASP 150 Cb -0.16 -2.25 1.45 0.00 -1.46 0.00 0.00 42.92 40.50 1pn0 s ASP 150 CO -0.02 -0.92 2.02 0.28 0.52 0.00 0.00 175.17 177.06 1pn0 h SER 151 N 8.83 0.00 0.61 -0.34 0.02 -1.98 -2.22 113.55 118.47 1pn0 h SER 151 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 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 1.02 0.05 0.00 0.77 -1.14 0.00 0.00 176.83 177.54 1pn0 h SER 152 N 0.00 0.00 -0.50 3.07 4.64 -1.98 -2.62 113.55 116.16 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 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 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 -2.33 2.78 -0.08 4.77 5.02 -0.83 -4.69 118.16 122.79 1pn0 n LYS 153 Ca 0.01 -2.30 0.12 0.00 -2.02 0.00 0.00 58.31 54.13 1pn0 n LYS 153 Cb 0.20 -1.40 0.50 0.00 -0.02 0.00 0.00 35.03 34.32 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 3.00 2.02 -0.29 7.82 0.00 -1.56 -2.19 119.26 128.06 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 0.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1pn0 h ALA 154 CO 0.00 -0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.49 1pn0 n GLU 155 N -4.47 2.42 -2.92 0.00 -0.58 -1.26 -4.88 120.64 108.95 1pn0 n GLU 155 Ca 0.10 -2.17 -0.42 0.00 -0.42 0.00 0.00 57.16 54.24 1pn0 n GLU 155 Cb 0.37 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.70 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 -1.59 6.63 0.55 1.62 -1.08 -0.83 -4.93 116.67 117.04 1pn0 s ASP 156 Ca 0.35 0.54 0.33 0.00 -0.52 0.00 0.00 52.55 53.25 1pn0 s ASP 156 Cb 0.22 -2.42 1.46 0.00 -1.46 0.00 0.00 42.92 40.72 1pn0 s ASP 156 CO 0.31 -0.71 2.02 1.55 0.52 0.00 0.00 175.17 178.86 1pn0 h PRO 157 N 8.32 0.00 0.00 4.34 0.13 -1.89 -2.46 132.00 140.43 1pn0 h PRO 157 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1pn0 h PRO 157 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pn0 h PRO 157 CO 0.91 0.04 -0.63 0.39 -0.23 0.00 0.00 178.00 178.48 1pn0 n GLU 158 N -3.17 0.02 -1.86 0.86 -0.58 -1.26 -4.96 120.64 109.68 1pn0 n GLU 158 Ca -0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 1pn0 n GLU 158 Cb 0.28 -1.51 0.02 0.00 -0.57 0.00 0.00 31.44 29.67 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 -3.01 3.01 -0.66 0.62 0.00 -0.93 -5.03 121.76 115.75 1pn0 s ALA 159 Ca 0.10 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.94 1pn0 s ALA 159 Cb 0.17 -3.06 0.16 0.00 0.00 0.00 0.00 23.12 20.39 1pn0 s ALA 159 CO 0.74 -0.86 0.45 0.71 0.00 0.00 0.00 175.76 176.80 1pn0 s TYR 160 N -3.24 3.45 -0.88 0.00 1.51 -1.26 -4.61 117.35 112.31 1pn0 s TYR 160 Ca 0.56 -3.29 0.21 0.00 -1.01 0.00 0.00 57.07 53.54 1pn0 s TYR 160 Cb -0.11 -2.70 0.87 0.00 -0.11 0.00 0.00 41.96 39.91 1pn0 s TYR 160 CO 0.53 -0.59 1.66 -2.30 -1.11 0.00 0.00 175.55 173.75 1pn0 n PRO 161 N 2.21 0.06 -3.99 -1.71 -0.02 -1.12 -4.53 135.00 125.90 1pn0 n PRO 161 Ca 0.17 0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 1pn0 n PRO 161 Cb 0.35 -1.59 -0.15 0.00 -0.02 0.00 0.00 33.50 32.09 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 -3.06 2.70 -0.30 -1.45 1.01 -0.86 -0.83 120.40 117.61 1pn0 s VAL 162 Ca 0.09 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 1pn0 s VAL 162 Cb 0.12 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1pn0 s VAL 162 CO 0.39 0.17 0.24 -0.89 0.00 0.00 0.00 175.10 175.01 1pn0 s THR 163 N 1.28 5.28 -0.16 3.92 2.01 0.23 -0.25 115.64 127.95 1pn0 s THR 163 Ca -0.01 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 1pn0 s THR 163 Cb -0.17 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1pn0 s THR 163 CO -0.05 0.15 -0.03 -0.04 -0.69 0.00 0.00 174.62 173.96 1pn0 s MET 164 N 1.81 3.68 -0.26 4.92 -1.94 0.18 -0.93 119.30 126.75 1pn0 s MET 164 Ca 0.08 -0.51 -0.10 0.00 -1.71 0.00 0.00 55.69 53.45 1pn0 s MET 164 Cb -0.16 -2.96 -0.05 0.00 2.01 0.00 0.00 34.83 33.68 1pn0 s MET 164 CO 0.11 0.20 0.15 0.99 -0.01 0.00 0.00 175.02 176.47 1pn0 s THR 165 N 0.47 5.08 0.05 2.05 2.01 0.72 0.11 115.64 126.14 1pn0 s THR 165 Ca -0.03 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.14 1pn0 s THR 165 Cb -0.14 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1pn0 s THR 165 CO 0.03 0.29 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.31 1pn0 s LEU 166 N 1.57 2.63 -0.07 4.42 1.43 0.32 0.00 118.68 128.98 1pn0 s LEU 166 Ca 0.07 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1pn0 s LEU 166 Cb -0.15 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1pn0 s LEU 166 CO 0.08 0.24 -0.19 -0.60 0.23 0.00 0.00 176.35 176.12 1pn0 s ARG 167 N -1.55 2.75 -0.16 1.70 3.52 0.70 -0.68 118.95 125.23 1pn0 s ARG 167 Ca 0.15 -0.79 -0.25 0.00 -0.13 0.00 0.00 55.73 54.72 1pn0 s ARG 167 Cb -0.11 -2.34 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 1pn0 s ARG 167 CO 0.06 0.41 0.81 0.71 -0.81 0.00 0.00 175.30 176.48 1pn0 s TYR 168 N -0.20 3.43 0.21 5.12 1.51 -0.47 -1.19 117.35 125.76 1pn0 s TYR 168 Ca -0.01 1.24 -0.06 0.00 -1.01 0.00 0.00 57.07 57.23 1pn0 s TYR 168 Cb -0.13 -2.99 -0.06 0.00 -0.11 0.00 0.00 41.96 38.67 1pn0 s TYR 168 CO 0.03 -0.21 0.47 -1.64 -1.11 0.00 0.00 175.55 173.09 1pn0 s MET 169 N 2.02 3.66 0.68 -0.62 -1.94 -0.35 0.13 119.30 122.88 1pn0 s MET 169 Ca 0.38 0.00 -0.11 0.00 -1.71 0.00 0.00 55.69 54.25 1pn0 s MET 169 Cb -0.17 -2.74 -0.00 0.00 2.01 0.00 0.00 34.83 33.93 1pn0 s MET 169 CO 0.13 0.35 1.07 -1.54 -0.01 0.00 0.00 175.02 175.02 1pn0 s SER 170 N -2.68 5.66 0.19 3.03 1.04 -1.26 -4.63 113.70 115.05 1pn0 s SER 170 Ca 0.43 1.18 -0.12 0.00 0.48 0.00 0.00 55.95 57.92 1pn0 s SER 170 Cb -0.11 -2.06 0.14 0.00 0.10 0.00 0.00 66.02 64.09 1pn0 s SER 170 CO 0.26 -1.20 1.82 -0.08 0.98 0.00 0.00 173.24 175.02 1pn0 h GLU 171 N -0.54 0.66 -0.16 4.02 4.81 -1.98 -2.35 114.58 119.04 1pn0 h GLU 171 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1pn0 h GLU 171 Cb 1.24 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1pn0 h GLU 171 CO 0.63 0.44 0.11 -0.44 -0.73 0.00 0.00 179.01 179.02 1pn0 h ASP 172 N 0.68 0.18 0.37 1.04 5.19 -2.05 -2.54 116.42 119.29 1pn0 h ASP 172 Ca 0.24 -0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.51 1pn0 h ASP 172 Cb 0.04 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1pn0 h ASP 172 CO -0.11 0.13 -0.57 -0.33 -3.12 0.00 0.00 179.24 175.24 1pn0 h GLU 173 N 0.21 0.21 -6.43 3.56 5.08 -1.80 -3.44 114.58 111.97 1pn0 h GLU 173 Ca 0.06 -0.13 -0.54 0.00 -1.00 0.00 0.00 59.36 57.75 1pn0 h GLU 173 Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pn0 h GLU 173 CO -0.01 0.72 0.55 0.45 -1.00 0.00 0.00 179.01 179.71 1pn0 s SER 174 N -6.89 7.14 -0.40 1.42 0.15 -0.96 -4.98 113.70 109.18 1pn0 s SER 174 Ca -0.04 1.89 -0.28 0.00 0.70 0.00 0.00 55.95 58.22 1pn0 s SER 174 Cb 0.12 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 1pn0 s SER 174 CO 0.79 -0.45 1.07 -0.89 1.20 0.00 0.00 173.24 174.96 1pn0 s THR 175 N 1.29 4.39 0.81 6.45 2.01 -1.26 -4.93 115.64 124.40 1pn0 s THR 175 Ca 0.56 1.37 -0.12 0.00 0.31 0.00 0.00 61.69 63.82 1pn0 s THR 175 Cb -0.26 -4.49 0.08 0.00 0.01 0.00 0.00 72.50 67.84 1pn0 s THR 175 CO 0.27 -0.74 1.10 -2.84 -0.69 0.00 0.00 174.62 171.72 1pn0 s PRO 176 N 3.98 1.96 0.10 4.92 0.02 -1.26 -4.82 135.00 139.91 1pn0 s PRO 176 Ca 0.45 0.60 -0.28 0.00 0.02 0.00 0.00 61.00 61.79 1pn0 s PRO 176 Cb -0.10 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 1pn0 s PRO 176 CO 0.24 -1.70 0.88 -0.51 -0.33 0.00 0.00 177.00 175.58 1pn0 s LEU 177 N -5.81 4.50 0.31 -5.54 1.43 -1.26 -4.98 118.68 107.33 1pn0 s LEU 177 Ca 0.61 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 55.41 1pn0 s LEU 177 Cb -0.14 -3.45 0.49 0.00 0.03 0.00 0.00 46.19 43.12 1pn0 s LEU 177 CO 0.54 0.00 1.81 -0.61 0.23 0.00 0.00 176.35 178.33 1pn0 h GLN 178 N 5.38 0.58 -2.98 1.70 4.15 -2.00 -3.31 115.11 118.63 1pn0 h GLN 178 Ca -0.44 -0.15 -0.69 0.00 0.77 0.00 0.00 58.65 58.14 1pn0 h GLN 178 Cb 1.21 -0.07 -0.36 0.00 0.21 0.00 0.00 27.48 28.47 1pn0 h GLN 178 CO 0.71 0.64 -0.08 1.19 -1.93 0.00 0.00 178.83 179.36 1pn0 n PHE 179 N -4.23 3.72 -0.66 3.99 3.01 -1.26 -5.05 117.46 116.98 1pn0 n PHE 179 Ca 0.01 -3.89 0.00 0.00 1.01 0.00 0.00 57.45 54.58 1pn0 n PHE 179 Cb 0.29 -1.00 0.00 0.00 -0.01 0.00 0.00 39.48 38.77 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 1.78 -0.23 3.77 1.37 0.00 -1.25 -3.98 105.19 106.65 1pn0 n GLY 180 Ca 0.24 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 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 0.22 2.74 -0.09 1.61 2.46 -1.26 -4.82 115.29 116.15 1pn0 s HIS 181 Ca 0.00 1.38 0.03 0.00 0.47 0.00 0.00 55.06 56.94 1pn0 s HIS 181 Cb 0.00 -3.72 0.01 0.00 -0.13 0.00 0.00 32.58 28.73 1pn0 s HIS 181 CO 0.00 -2.28 -0.19 0.15 -2.47 0.00 0.00 174.74 169.95 1pn0 s LYS 182 N -2.29 2.53 0.33 2.88 1.02 -1.26 -5.11 119.74 117.84 1pn0 s LYS 182 Ca 0.58 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 1pn0 s LYS 182 Cb -0.39 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 34.84 1pn0 s LYS 182 CO 0.50 0.11 1.53 0.99 -0.92 0.00 0.00 175.35 177.56 1pn0 s THR 183 N 0.50 2.13 0.66 2.17 2.01 -1.26 -4.98 115.64 116.86 1pn0 s THR 183 Ca -0.16 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 1pn0 s THR 183 Cb -0.17 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1pn0 s THR 183 CO 0.06 0.02 1.07 -1.61 -0.69 0.00 0.00 174.62 173.48 1pn0 s GLU 184 N -1.21 2.98 0.54 4.92 0.41 -1.26 -5.04 118.70 120.04 1pn0 s GLU 184 Ca 0.58 1.16 -0.11 0.00 -0.41 0.00 0.00 54.97 56.18 1pn0 s GLU 184 Cb -0.47 -1.99 -0.05 0.00 -1.78 0.00 0.00 34.13 29.84 1pn0 s GLU 184 CO 0.54 -1.08 0.94 -0.80 -0.49 0.00 0.00 175.26 174.37 1pn0 s ASN 185 N -3.12 6.38 0.25 -0.19 0.02 -1.26 -4.96 114.94 112.05 1pn0 s ASN 185 Ca 0.62 1.33 0.00 0.00 -1.02 0.00 0.00 52.86 53.79 1pn0 s ASN 185 Cb -0.16 -2.42 0.00 0.00 0.02 0.00 0.00 41.25 38.69 1pn0 s ASN 185 CO 0.45 -0.68 0.00 0.61 0.02 0.00 0.00 177.10 177.51 1pn0 n GLY 186 N -2.15 -1.83 0.13 0.66 0.00 -1.26 -4.63 105.19 96.11 1pn0 n GLY 186 Ca 0.05 -1.32 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 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 0.44 -9.89 0.99 3.38 -2.06 -3.47 115.31 104.70 1pn0 h LEU 187 Ca 0.00 -0.88 -0.54 0.00 0.09 0.00 0.00 57.88 56.55 1pn0 h LEU 187 Cb 0.04 -0.14 0.10 0.00 0.09 0.00 0.00 40.66 40.74 1pn0 h LEU 187 CO 0.00 1.60 0.84 0.33 0.09 0.00 0.00 178.44 181.30 1pn0 n PHE 188 N -3.92 2.98 -3.82 1.13 7.35 -1.26 -5.03 117.46 114.89 1pn0 n PHE 188 Ca -0.22 0.35 -0.21 0.00 -0.76 0.00 0.00 57.45 56.61 1pn0 n PHE 188 Cb 0.91 -2.57 -0.17 0.00 0.35 0.00 0.00 39.48 38.00 1pn0 n PHE 188 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1pn0 s ARG 189 N -1.40 0.41 0.82 -4.13 1.81 -1.26 -4.93 118.95 110.26 1pn0 s ARG 189 Ca 0.58 0.14 -0.12 0.00 -1.72 0.00 0.00 55.73 54.61 1pn0 s ARG 189 Cb -0.48 -0.75 0.08 0.00 -0.45 0.00 0.00 34.95 33.36 1pn0 s ARG 189 CO 0.57 -0.25 1.13 -1.54 -0.68 0.00 0.00 175.30 174.53 1pn0 s SER 190 N 1.71 4.37 0.25 0.23 1.04 -1.26 -4.81 113.70 115.23 1pn0 s SER 190 Ca 0.00 1.02 -0.04 0.00 0.48 0.00 0.00 55.95 57.42 1pn0 s SER 190 Cb -0.13 -1.65 0.39 0.00 0.10 0.00 0.00 66.02 64.73 1pn0 s SER 190 CO -0.04 -2.02 1.86 0.78 0.98 0.00 0.00 173.24 174.80 1pn0 h ASN 191 N -1.13 0.90 -0.25 7.02 2.35 -2.01 -0.14 115.58 122.32 1pn0 h ASN 191 Ca -0.47 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1pn0 h ASN 191 Cb 1.30 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1pn0 h ASN 191 CO 0.63 0.56 0.14 0.25 -1.65 0.00 0.00 177.43 177.36 1pn0 h LEU 192 N 1.02 0.31 -1.03 1.61 5.85 -1.99 -0.44 115.31 120.64 1pn0 h LEU 192 Ca 0.41 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 1pn0 h LEU 192 Cb 0.22 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1pn0 h LEU 192 CO -0.19 0.29 0.06 1.56 -0.34 0.00 0.00 178.44 179.82 1pn0 h GLN 193 N 0.30 0.76 -0.39 1.25 4.20 -1.78 -0.81 115.11 118.64 1pn0 h GLN 193 Ca 0.09 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1pn0 h GLN 193 Cb 0.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1pn0 h GLN 193 CO -0.02 0.73 -0.03 1.15 -0.67 0.00 0.00 178.83 179.99 1pn0 h THR 194 N 0.73 1.27 -0.43 -0.54 2.02 -0.67 -1.89 112.91 113.39 1pn0 h THR 194 Ca 0.15 -1.06 -0.10 0.00 0.77 0.00 0.00 66.41 66.18 1pn0 h THR 194 Cb 0.35 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1pn0 h THR 194 CO 0.01 0.36 -0.13 -0.61 0.37 0.00 0.00 175.52 175.52 1pn0 h GLN 195 N 0.53 0.78 -0.68 6.66 5.75 -0.79 -0.95 115.11 126.40 1pn0 h GLN 195 Ca 0.11 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 1pn0 h GLN 195 Cb 0.52 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1pn0 h GLN 195 CO 0.03 0.87 0.40 0.93 -2.65 0.00 0.00 178.83 178.41 1pn0 h GLU 196 N 0.70 0.93 -0.31 1.69 4.39 -1.03 -1.34 114.58 119.61 1pn0 h GLU 196 Ca 0.12 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1pn0 h GLU 196 Cb 0.61 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1pn0 h GLU 196 CO 0.04 0.67 -0.04 1.49 -1.16 0.00 0.00 179.01 180.01 1pn0 h GLU 197 N 0.93 0.57 -0.59 2.33 4.81 -0.92 -2.76 114.58 118.95 1pn0 h GLU 197 Ca 0.24 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1pn0 h GLU 197 Cb -0.02 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1pn0 h GLU 197 CO -0.04 0.73 0.09 0.93 -0.73 0.00 0.00 179.01 179.99 1pn0 h GLU 198 N 0.35 0.95 0.00 1.92 5.08 -1.08 -2.20 114.58 119.60 1pn0 h GLU 198 Ca 0.08 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1pn0 h GLU 198 Cb 0.50 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1pn0 h GLU 198 CO 0.02 0.88 0.00 -0.25 -1.00 0.00 0.00 179.01 178.67 1pn0 n ASP 199 N -4.23 0.61 -0.12 1.42 8.00 -0.52 -2.79 116.55 118.92 1pn0 n ASP 199 Ca 0.04 0.68 0.14 0.00 0.71 0.00 0.00 54.79 56.36 1pn0 n ASP 199 Cb 0.27 -0.79 0.65 0.00 -0.02 0.00 0.00 41.12 41.23 1pn0 n ASP 199 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pn0 n ALA 200 N -1.76 2.72 -2.57 2.24 0.00 -0.83 -4.44 120.51 115.87 1pn0 n ALA 200 Ca 0.01 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.86 1pn0 n ALA 200 Cb 0.18 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.40 6.59 -0.01 0.00 0.01 -1.12 -4.92 114.94 113.09 1pn0 s ASN 201 Ca 0.31 0.76 -0.30 0.00 -0.71 0.00 0.00 52.86 52.92 1pn0 s ASN 201 Cb 0.20 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.66 1pn0 s ASN 201 CO 0.45 0.09 1.28 -0.47 -1.51 0.00 0.00 177.10 176.94 1pn0 s TYR 202 N -1.56 3.10 -0.30 2.20 5.04 -1.26 -4.86 117.35 119.70 1pn0 s TYR 202 Ca 0.38 1.07 -0.02 0.00 -2.44 0.00 0.00 57.07 56.06 1pn0 s TYR 202 Cb -0.13 -3.52 0.18 0.00 0.35 0.00 0.00 41.96 38.84 1pn0 s TYR 202 CO 0.21 -1.76 0.61 0.50 -1.34 0.00 0.00 175.55 173.76 1pn0 s ARG 203 N 2.10 0.57 0.77 4.97 3.52 -1.26 -5.12 118.95 124.50 1pn0 s ARG 203 Ca 0.59 1.07 -0.11 0.00 -0.13 0.00 0.00 55.73 57.15 1pn0 s ARG 203 Cb -0.28 0.60 0.06 0.00 -1.56 0.00 0.00 34.95 33.76 1pn0 s ARG 203 CO 0.25 -0.57 1.09 -0.51 -0.81 0.00 0.00 175.30 174.76 1pn0 s LEU 204 N 2.86 2.69 0.72 -0.88 1.43 -1.26 -4.63 118.68 119.62 1pn0 s LEU 204 Ca 0.18 1.30 -0.16 0.00 -1.03 0.00 0.00 54.13 54.41 1pn0 s LEU 204 Cb -0.15 -3.96 0.03 0.00 0.03 0.00 0.00 46.19 42.14 1pn0 s LEU 204 CO -0.21 -1.82 1.20 -2.65 0.23 0.00 0.00 176.35 173.10 1pn0 n PRO 205 N -3.34 0.66 -1.59 1.29 -0.02 -1.26 -4.83 135.00 125.92 1pn0 n PRO 205 Ca 0.07 0.29 -0.57 0.00 -2.02 0.00 0.00 63.50 61.27 1pn0 n PRO 205 Cb 0.56 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 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 -2.40 0.64 -0.04 -0.52 -0.58 -1.26 -1.41 120.64 115.07 1pn0 n GLU 206 Ca 0.15 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1pn0 n GLU 206 Cb 0.49 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 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 2.50 2.90 3.88 0.62 0.00 -1.26 -5.01 105.19 108.82 1pn0 n GLY 207 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.01 3.74 0.04 1.61 -0.14 -0.50 -5.10 119.74 119.38 1pn0 s LYS 208 Ca 0.00 0.21 0.04 0.00 -1.36 0.00 0.00 55.97 54.86 1pn0 s LYS 208 Cb 0.00 -2.62 -0.02 0.00 -1.68 0.00 0.00 37.83 33.51 1pn0 s LYS 208 CO 0.00 0.25 -0.13 -1.83 -0.76 0.00 0.00 175.35 172.88 1pn0 s GLU 209 N -3.16 0.85 0.16 1.68 -1.05 -1.26 -4.80 118.70 111.13 1pn0 s GLU 209 Ca 0.47 -0.72 -0.34 0.00 -0.15 0.00 0.00 54.97 54.23 1pn0 s GLU 209 Cb -0.11 -0.83 -0.15 0.00 -0.44 0.00 0.00 34.13 32.59 1pn0 s GLU 209 CO 0.25 0.20 1.28 0.00 0.95 0.00 0.00 175.26 177.95 1pn0 n ALA 210 N 1.92 -0.37 0.00 -0.84 0.00 -1.26 -2.08 120.51 117.88 1pn0 n ALA 210 Ca -0.18 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1pn0 n ALA 210 Cb 0.55 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 2.29 3.15 3.76 0.00 0.00 0.12 -4.94 105.19 109.56 1pn0 n GLY 211 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 3.54 -0.22 1.61 2.12 -0.89 -4.60 118.70 119.31 1pn0 s GLU 212 Ca 0.00 2.11 0.02 0.00 0.36 0.00 0.00 54.97 57.46 1pn0 s GLU 212 Cb 0.00 -2.45 0.04 0.00 0.26 0.00 0.00 34.13 31.98 1pn0 s GLU 212 CO 0.00 -0.83 -0.16 0.42 -0.54 0.00 0.00 175.26 174.16 1pn0 s ILE 213 N -1.35 2.13 -0.17 -3.70 -1.09 -0.47 -1.36 121.20 115.18 1pn0 s ILE 213 Ca 0.65 -1.26 -0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1pn0 s ILE 213 Cb -0.37 -2.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 1pn0 s ILE 213 CO 0.45 0.28 -0.07 -0.70 -1.23 0.00 0.00 174.94 173.67 1pn0 s GLU 214 N 1.21 3.49 -0.36 2.79 2.12 0.14 -1.37 118.70 126.72 1pn0 s GLU 214 Ca -0.01 -0.60 -0.21 0.00 0.36 0.00 0.00 54.97 54.50 1pn0 s GLU 214 Cb -0.16 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1pn0 s GLU 214 CO -0.09 0.09 0.67 0.99 -0.54 0.00 0.00 175.26 176.37 1pn0 s THR 215 N 0.74 4.85 -0.26 -1.70 2.01 0.20 -0.53 115.64 120.95 1pn0 s THR 215 Ca -0.03 0.62 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 1pn0 s THR 215 Cb -0.15 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.27 1pn0 s THR 215 CO 0.02 -0.35 -0.00 -0.69 -0.69 0.00 0.00 174.62 172.91 1pn0 s VAL 216 N 2.79 3.38 -0.16 3.82 1.01 0.12 -0.95 120.40 130.41 1pn0 s VAL 216 Ca 0.26 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 1pn0 s VAL 216 Cb -0.14 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1pn0 s VAL 216 CO 0.15 0.17 0.85 -1.00 0.00 0.00 0.00 175.10 175.28 1pn0 s HIS 217 N 1.41 3.43 0.02 5.22 3.76 0.01 -0.65 115.29 128.50 1pn0 s HIS 217 Ca 0.02 1.30 0.07 0.00 -0.15 0.00 0.00 55.06 56.30 1pn0 s HIS 217 Cb -0.17 -3.04 -0.02 0.00 1.11 0.00 0.00 32.58 30.46 1pn0 s HIS 217 CO -0.01 -0.24 -0.22 0.00 -0.85 0.00 0.00 174.74 173.42 1pn0 h LYS 219 N 5.12 0.50 -3.64 0.00 1.57 -1.33 -2.24 116.57 116.55 1pn0 h LYS 219 Ca -0.42 -0.63 -0.16 0.00 -1.87 0.00 0.00 60.65 57.57 1pn0 h LYS 219 Cb 1.15 0.20 -0.21 0.00 0.08 0.00 0.00 32.23 33.44 1pn0 h LYS 219 CO 0.45 1.25 -0.56 0.71 -0.57 0.00 0.00 179.45 180.73 1pn0 s TYR 220 N -3.06 0.08 -0.03 -1.35 2.02 -0.20 -4.58 117.35 110.24 1pn0 s TYR 220 Ca -0.07 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1pn0 s TYR 220 Cb 0.07 -0.08 0.00 0.00 -0.40 0.00 0.00 41.96 41.56 1pn0 s TYR 220 CO 0.90 -0.23 -0.08 0.08 -1.57 0.00 0.00 175.55 174.65 1pn0 s VAL 221 N -1.23 0.73 -0.22 0.71 1.01 -0.45 -1.21 120.40 119.75 1pn0 s VAL 221 Ca -0.13 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1pn0 s VAL 221 Cb -0.07 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.68 1pn0 s VAL 221 CO 0.01 0.24 -0.15 -0.63 0.00 0.00 0.00 175.10 174.56 1pn0 s ILE 222 N 0.25 2.05 -0.55 2.22 1.01 -0.08 -0.61 121.20 125.49 1pn0 s ILE 222 Ca -0.04 -1.25 -0.26 0.00 0.00 0.00 0.00 60.65 59.10 1pn0 s ILE 222 Cb -0.09 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.39 1pn0 s ILE 222 CO 0.00 0.25 1.07 -0.83 0.00 0.00 0.00 174.94 175.43 1pn0 s GLY 223 N 1.22 1.28 -0.32 6.18 0.00 0.12 -0.46 107.32 115.34 1pn0 s GLY 223 Ca -0.02 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 43.81 1pn0 s GLY 223 CO -0.09 2.28 1.17 0.00 0.00 0.00 0.00 173.10 176.46 1pn0 n ASP 225 N -0.65 5.06 0.00 0.00 5.75 -0.92 -4.30 116.55 121.49 1pn0 n ASP 225 Ca 0.42 -3.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 1pn0 n ASP 225 Cb 0.90 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.20 -2.83 0.32 6.12 0.00 -1.26 -3.95 105.19 103.79 1pn0 n GLY 226 Ca 0.33 -1.71 0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 -3.15 -0.02 0.00 -1.93 0.47 103.07 98.44 1pn0 h GLY 227 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1pn0 h GLY 227 CO 0.00 0.00 0.08 1.42 0.00 0.00 0.00 176.54 178.04 1pn0 n HIS 228 N -4.30 1.94 -0.40 5.60 8.25 -1.26 -4.81 115.22 120.24 1pn0 n HIS 228 Ca 0.02 -0.93 -0.18 0.00 -0.26 0.00 0.00 57.72 56.37 1pn0 n HIS 228 Cb 0.32 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 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 0.09 0.24 -0.07 0.41 2.88 0.14 -4.84 113.62 112.48 1pn0 n SER 229 Ca 0.31 0.23 -0.05 0.00 -1.33 0.00 0.00 58.87 58.02 1pn0 n SER 229 Cb 1.19 -0.27 0.15 0.00 -0.75 0.00 0.00 64.21 64.54 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 2.47 0.77 0.24 0.66 7.01 -1.88 -1.50 115.95 123.72 1pn0 h TRP 230 Ca -0.05 -0.15 -0.01 0.00 2.11 0.00 0.00 58.89 60.80 1pn0 h TRP 230 Cb 0.42 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1pn0 h TRP 230 CO 0.27 0.80 -0.12 0.28 -2.79 0.00 0.00 178.44 176.89 1pn0 h VAL 231 N 0.63 0.80 -0.35 2.65 2.07 -1.95 0.14 116.25 120.25 1pn0 h VAL 231 Ca 0.10 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1pn0 h VAL 231 Cb 0.61 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1pn0 h VAL 231 CO 0.04 0.04 -0.04 -0.09 0.02 0.00 0.00 177.57 177.54 1pn0 h ARG 232 N -0.42 0.04 -0.33 1.57 2.43 -1.87 -0.91 114.38 114.90 1pn0 h ARG 232 Ca -0.03 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1pn0 h ARG 232 Cb 0.32 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1pn0 h ARG 232 CO 0.05 0.03 -0.02 0.00 -1.51 0.00 0.00 179.97 178.52 1pn0 h ARG 233 N 0.05 0.51 -0.22 0.20 3.08 -1.11 -0.88 114.38 116.01 1pn0 h ARG 233 Ca 0.17 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 1pn0 h ARG 233 Cb 0.25 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1pn0 h ARG 233 CO -0.32 0.56 -0.38 1.15 -1.07 0.00 0.00 179.97 179.91 1pn0 h THR 234 N 0.49 1.30 0.00 2.04 2.02 -0.33 -2.09 112.91 116.34 1pn0 h THR 234 Ca 0.10 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 1pn0 h THR 234 Cb 0.35 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1pn0 h THR 234 CO 0.01 0.47 -0.04 -0.07 0.37 0.00 0.00 175.52 176.27 1pn0 h LEU 235 N 0.40 0.00 0.02 2.58 3.38 -0.38 -3.47 115.31 117.84 1pn0 h LEU 235 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1pn0 h LEU 235 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1pn0 h LEU 235 CO 0.07 0.04 -0.01 0.61 0.09 0.00 0.00 178.44 179.24 1pn0 n GLY 236 N 0.23 0.38 3.58 0.83 0.00 -0.41 -5.02 105.19 104.79 1pn0 n GLY 236 Ca 0.01 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.01 3.04 0.26 1.61 0.08 -1.06 -5.02 117.98 114.87 1pn0 s PHE 237 Ca 0.00 0.56 -0.30 0.00 0.12 0.00 0.00 56.93 57.31 1pn0 s PHE 237 Cb 0.00 -3.65 -0.09 0.00 -0.57 0.00 0.00 43.02 38.71 1pn0 s PHE 237 CO 0.00 -0.88 1.11 -2.00 -0.10 0.00 0.00 175.22 173.36 1pn0 s GLU 238 N 3.41 4.61 -0.51 0.44 2.12 -1.26 -4.73 118.70 122.78 1pn0 s GLU 238 Ca 0.35 1.81 -0.23 0.00 0.36 0.00 0.00 54.97 57.26 1pn0 s GLU 238 Cb -0.12 -3.20 0.04 0.00 0.26 0.00 0.00 34.13 31.11 1pn0 s GLU 238 CO 0.20 0.15 0.84 -1.64 -0.54 0.00 0.00 175.26 174.27 1pn0 s MET 239 N -1.19 3.31 0.05 4.30 -1.94 -1.26 -4.35 119.30 118.22 1pn0 s MET 239 Ca 0.46 -0.34 -0.27 0.00 -1.71 0.00 0.00 55.69 53.83 1pn0 s MET 239 Cb -0.32 -4.03 -0.05 0.00 2.01 0.00 0.00 34.83 32.44 1pn0 s MET 239 CO 0.40 -1.33 0.83 0.42 -0.01 0.00 0.00 175.02 175.33 1pn0 s ILE 240 N 3.51 4.71 0.00 2.53 -1.09 -0.07 -4.68 121.20 126.10 1pn0 s ILE 240 Ca 0.27 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 1pn0 s ILE 240 Cb -0.14 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 1pn0 s ILE 240 CO 0.19 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 1pn0 n GLY 241 N 2.45 4.03 3.73 6.18 0.00 -1.26 -1.29 105.19 119.03 1pn0 n GLY 241 Ca -0.00 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 1pn0 n GLY 241 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pn0 s GLU 242 N -2.83 2.31 -0.09 1.61 2.56 -1.19 -4.85 118.70 116.22 1pn0 s GLU 242 Ca 0.00 -1.66 0.02 0.00 0.00 0.00 0.00 54.97 53.33 1pn0 s GLU 242 Cb 0.00 -2.10 -0.02 0.00 2.00 0.00 0.00 34.13 34.01 1pn0 s GLU 242 CO 0.00 0.03 -0.14 -1.14 -0.56 0.00 0.00 175.26 173.45 1pn0 s GLN 243 N -3.87 2.96 0.71 4.30 0.74 -1.26 -2.48 119.66 120.75 1pn0 s GLN 243 Ca 0.39 -0.69 -0.09 0.00 0.05 0.00 0.00 55.36 55.02 1pn0 s GLN 243 Cb -0.00 -2.51 0.16 0.00 1.10 0.00 0.00 33.01 31.76 1pn0 s GLN 243 CO 0.23 0.41 0.96 0.25 -0.55 0.00 0.00 175.29 176.59 1pn0 n THR 244 N 2.94 0.00 0.72 -0.34 -2.24 0.34 -4.99 114.28 110.71 1pn0 n THR 244 Ca -0.18 -0.95 0.12 0.00 -2.27 0.00 0.00 64.05 60.78 1pn0 n THR 244 Cb 0.52 -1.39 0.22 0.00 -2.10 0.00 0.00 70.33 67.59 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 -3.41 2.96 -4.72 3.42 8.00 -1.26 -4.62 116.55 116.91 1pn0 n ASP 245 Ca 0.13 -1.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.29 1pn0 n ASP 245 Cb 0.46 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.72 3.36 -0.04 1.24 2.02 -1.26 -4.62 117.35 116.32 1pn0 s TYR 246 Ca 0.35 1.22 0.05 0.00 -0.37 0.00 0.00 57.07 58.32 1pn0 s TYR 246 Cb 0.21 -3.52 -0.01 0.00 -0.40 0.00 0.00 41.96 38.25 1pn0 s TYR 246 CO 0.31 -1.64 -0.19 0.42 -1.57 0.00 0.00 175.55 172.88 1pn0 s ILE 247 N 0.67 1.54 0.14 2.71 1.01 -1.26 -1.09 121.20 124.92 1pn0 s ILE 247 Ca 0.59 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1pn0 s ILE 247 Cb -0.33 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1pn0 s ILE 247 CO 0.32 0.44 -0.14 0.26 0.00 0.00 0.00 174.94 175.82 1pn0 s TRP 248 N -0.03 1.48 0.34 3.97 0.52 -0.23 -0.61 118.94 124.38 1pn0 s TRP 248 Ca -0.03 -0.57 0.09 0.00 0.02 0.00 0.00 56.10 55.61 1pn0 s TRP 248 Cb -0.12 -0.75 -0.06 0.00 -1.15 0.00 0.00 33.47 31.39 1pn0 s TRP 248 CO 0.02 0.19 -0.03 0.20 0.02 0.00 0.00 176.95 177.36 1pn0 s GLY 249 N -2.69 2.12 -0.01 0.98 0.00 0.12 -0.79 107.32 107.04 1pn0 s GLY 249 Ca 0.13 -2.01 0.01 0.00 0.00 0.00 0.00 44.72 42.85 1pn0 s GLY 249 CO 0.04 -1.95 -0.04 0.14 0.00 0.00 0.00 173.10 171.29 1pn0 s VAL 250 N -2.55 0.37 -0.09 1.40 1.01 0.64 -0.46 120.40 120.71 1pn0 s VAL 250 Ca 0.34 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1pn0 s VAL 250 Cb 0.01 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1pn0 s VAL 250 CO 0.18 0.13 -0.12 -0.76 0.00 0.00 0.00 175.10 174.54 1pn0 s LEU 251 N 0.24 1.55 -0.38 3.92 1.43 -0.27 -2.05 118.68 123.11 1pn0 s LEU 251 Ca -0.02 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 1pn0 s LEU 251 Cb -0.06 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.26 1pn0 s LEU 251 CO -0.00 -0.01 0.25 -1.81 0.23 0.00 0.00 176.35 175.00 1pn0 s ASP 252 N 1.06 5.93 0.07 2.29 1.11 -0.50 -0.31 116.67 126.32 1pn0 s ASP 252 Ca -0.07 -0.85 -0.09 0.00 0.18 0.00 0.00 52.55 51.73 1pn0 s ASP 252 Cb -0.15 -2.10 0.00 0.00 1.07 0.00 0.00 42.92 41.75 1pn0 s ASP 252 CO -0.01 -0.38 0.20 0.00 1.18 0.00 0.00 175.17 176.15 1pn0 s ALA 253 N 1.64 -0.30 -0.37 5.23 0.00 -0.53 -0.24 121.76 127.19 1pn0 s ALA 253 Ca 0.04 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 1pn0 s ALA 253 Cb -0.19 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1pn0 s ALA 253 CO 0.09 -0.47 0.61 0.08 0.00 0.00 0.00 175.76 176.07 1pn0 s VAL 254 N -3.46 4.91 0.52 0.00 1.01 -0.38 -0.43 120.40 122.56 1pn0 s VAL 254 Ca 0.02 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 1pn0 s VAL 254 Cb 0.03 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1pn0 s VAL 254 CO -0.09 -0.33 0.88 -2.16 0.00 0.00 0.00 175.10 173.40 1pn0 s PRO 255 N 2.65 3.62 -0.28 2.72 0.04 -1.26 -0.39 135.00 142.10 1pn0 s PRO 255 Ca 0.23 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1pn0 s PRO 255 Cb -0.15 -2.26 0.09 0.00 0.04 0.00 0.00 34.50 32.22 1pn0 s PRO 255 CO 0.15 -0.31 0.04 0.00 0.04 0.00 0.00 177.00 176.93 1pn0 s ALA 256 N -2.83 1.84 -0.06 8.56 0.00 0.11 -4.71 121.76 124.67 1pn0 s ALA 256 Ca 0.51 -1.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 1pn0 s ALA 256 Cb -0.10 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.48 1pn0 s ALA 256 CO 0.45 -1.50 0.53 0.45 0.00 0.00 0.00 175.76 175.70 1pn0 s SER 257 N 1.46 -0.48 -0.04 0.00 0.15 -1.26 -0.96 113.70 112.56 1pn0 s SER 257 Ca 0.05 0.55 0.20 0.00 0.70 0.00 0.00 55.95 57.45 1pn0 s SER 257 Cb -0.18 0.54 0.64 0.00 -1.71 0.00 0.00 66.02 65.32 1pn0 s SER 257 CO -0.15 -0.50 1.54 -0.46 1.20 0.00 0.00 173.24 174.87 1pn0 n ASN 258 N 1.29 4.04 -4.69 5.45 6.94 -1.25 -4.93 115.26 122.12 1pn0 n ASN 258 Ca -0.19 -2.16 -0.42 0.00 -0.02 0.00 0.00 54.58 51.78 1pn0 n ASN 258 Cb 0.57 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.45 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 2.14 0.34 -2.53 5.36 -1.26 -4.88 117.98 115.79 1pn0 s PHE 259 Ca 0.47 0.07 0.02 0.00 -0.96 0.00 0.00 56.93 56.54 1pn0 s PHE 259 Cb 0.27 -4.09 0.63 0.00 -0.34 0.00 0.00 43.02 39.49 1pn0 s PHE 259 CO 0.28 -4.51 1.99 -1.35 -1.46 0.00 0.00 175.22 170.18 1pn0 h PRO 260 N 8.77 0.85 -0.78 10.12 0.11 -1.99 -2.82 132.00 146.26 1pn0 h PRO 260 Ca -0.45 -0.05 -0.44 0.00 0.11 0.00 0.00 66.00 65.17 1pn0 h PRO 260 Cb 1.21 -0.19 -0.25 0.00 0.11 0.00 0.00 31.00 31.88 1pn0 h PRO 260 CO 0.94 0.56 0.38 -0.25 -0.21 0.00 0.00 178.00 179.42 1pn0 n ASP 261 N -4.45 4.06 0.27 -2.05 8.00 -1.26 -4.69 116.55 116.42 1pn0 n ASP 261 Ca 0.08 -3.71 0.16 0.00 0.71 0.00 0.00 54.79 52.03 1pn0 n ASP 261 Cb 0.09 -0.77 0.89 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.07 0.49 -0.34 0.53 6.09 -1.89 -0.85 117.51 122.61 1pn0 h ILE 262 Ca 0.49 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.98 1pn0 h ILE 262 Cb 2.08 0.94 0.00 0.00 0.47 0.00 0.00 36.82 40.31 1pn0 h ILE 262 CO 0.95 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 176.57 1pn0 n ARG 263 N -3.81 2.48 -3.99 2.19 5.12 -1.26 -4.77 116.66 112.62 1pn0 n ARG 263 Ca -0.01 -2.24 -0.26 0.00 -1.93 0.00 0.00 57.85 53.40 1pn0 n ARG 263 Cb 0.17 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 29.92 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 -1.55 6.04 0.49 0.55 0.15 -0.32 -4.68 113.70 114.37 1pn0 s SER 264 Ca 0.37 0.07 -0.23 0.00 0.70 0.00 0.00 55.95 56.86 1pn0 s SER 264 Cb 0.22 -1.74 -0.06 0.00 -1.71 0.00 0.00 66.02 62.73 1pn0 s SER 264 CO 0.31 0.06 1.34 -0.60 1.20 0.00 0.00 173.24 175.56 1pn0 s ARG 265 N -3.14 3.46 -0.02 5.44 3.52 -0.83 -4.42 118.95 122.95 1pn0 s ARG 265 Ca 0.33 2.21 -0.15 0.00 -0.13 0.00 0.00 55.73 57.99 1pn0 s ARG 265 Cb -0.11 -2.44 0.03 0.00 -1.56 0.00 0.00 34.95 30.87 1pn0 s ARG 265 CO 0.27 -0.93 0.33 0.00 -0.81 0.00 0.00 175.30 174.16 1pn0 s ALA 267 N -1.26 2.50 -0.14 0.00 0.00 -0.36 -0.85 121.76 121.64 1pn0 s ALA 267 Ca -0.13 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1pn0 s ALA 267 Cb -0.05 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.94 1pn0 s ALA 267 CO 0.04 0.16 -0.14 0.42 0.00 0.00 0.00 175.76 176.24 1pn0 s ILE 268 N 0.51 1.55 -0.28 0.00 1.01 0.28 -0.72 121.20 123.55 1pn0 s ILE 268 Ca -0.10 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1pn0 s ILE 268 Cb -0.16 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1pn0 s ILE 268 CO 0.04 0.45 0.13 -1.00 0.00 0.00 0.00 174.94 174.57 1pn0 s HIS 269 N 1.44 3.16 0.62 3.97 3.76 -0.71 -0.88 115.29 126.65 1pn0 s HIS 269 Ca 0.04 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.52 1pn0 s HIS 269 Cb -0.13 -2.32 0.04 0.00 1.11 0.00 0.00 32.58 31.28 1pn0 s HIS 269 CO -0.10 -0.37 0.90 -1.54 -0.85 0.00 0.00 174.74 172.79 1pn0 s SER 270 N 1.64 5.18 0.12 1.40 1.04 -0.86 -3.58 113.70 118.64 1pn0 s SER 270 Ca 0.06 0.38 -0.18 0.00 0.48 0.00 0.00 55.95 56.69 1pn0 s SER 270 Cb -0.16 -1.21 -0.04 0.00 0.10 0.00 0.00 66.02 64.71 1pn0 s SER 270 CO 0.06 -1.30 1.72 0.00 0.98 0.00 0.00 173.24 174.70 1pn0 h ALA 271 N -0.26 0.38 0.00 5.32 0.00 -1.87 -3.40 119.26 119.44 1pn0 h ALA 271 Ca -0.44 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1pn0 h ALA 271 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pn0 h ALA 271 CO 0.58 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1pn0 n GLU 272 N -4.80 0.00 -0.11 0.00 4.71 -1.26 -4.64 120.64 114.53 1pn0 n GLU 272 Ca -0.02 -0.07 0.09 0.00 -0.01 0.00 0.00 57.16 57.16 1pn0 n GLU 272 Cb 0.08 -0.45 0.14 0.00 -1.01 0.00 0.00 31.44 30.20 1pn0 n GLU 272 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1pn0 n SER 273 N 0.00 2.92 0.00 1.62 7.64 -1.26 -5.09 113.62 119.45 1pn0 n SER 273 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1pn0 n SER 273 Cb 0.29 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 1.09 -3.16 3.72 0.23 0.00 -1.26 -4.81 105.19 101.00 1pn0 n GLY 274 Ca 0.14 -2.15 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.48 4.85 0.03 1.61 0.01 -1.26 -2.04 113.70 116.42 1pn0 s SER 275 Ca 0.00 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 56.73 1pn0 s SER 275 Cb 0.00 -0.96 -0.02 0.00 0.21 0.00 0.00 66.02 65.25 1pn0 s SER 275 CO 0.00 -0.09 -0.13 -0.63 0.41 0.00 0.00 173.24 172.80 1pn0 s ILE 276 N -2.30 0.99 -0.14 1.44 1.01 -0.06 -1.08 121.20 121.06 1pn0 s ILE 276 Ca 0.34 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1pn0 s ILE 276 Cb -0.06 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.53 1pn0 s ILE 276 CO 0.22 0.01 -0.21 -0.32 0.00 0.00 0.00 174.94 174.63 1pn0 s MET 277 N -1.00 3.04 -0.15 2.79 -2.45 -0.27 -0.55 119.30 120.71 1pn0 s MET 277 Ca 0.01 -0.85 -0.13 0.00 -1.25 0.00 0.00 55.69 53.47 1pn0 s MET 277 Cb -0.07 -2.45 -0.05 0.00 1.25 0.00 0.00 34.83 33.51 1pn0 s MET 277 CO 0.01 -0.01 0.28 0.42 1.05 0.00 0.00 175.02 176.76 1pn0 s ILE 278 N 0.82 5.31 -0.40 10.11 1.01 -0.03 -1.03 121.20 136.99 1pn0 s ILE 278 Ca -0.07 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.12 1pn0 s ILE 278 Cb -0.15 -3.61 0.12 0.00 0.01 0.00 0.00 42.46 38.82 1pn0 s ILE 278 CO -0.02 0.43 0.16 -0.63 0.00 0.00 0.00 174.94 174.87 1pn0 s ILE 279 N 0.21 1.73 0.22 2.92 -1.09 0.47 -1.90 121.20 123.77 1pn0 s ILE 279 Ca 0.16 -2.36 -0.30 0.00 -2.23 0.00 0.00 60.65 55.93 1pn0 s ILE 279 Cb -0.13 -2.25 -0.09 0.00 -1.58 0.00 0.00 42.46 38.41 1pn0 s ILE 279 CO 0.04 -0.74 1.29 -2.16 -1.23 0.00 0.00 174.94 172.13 1pn0 s PRO 280 N 0.69 4.41 0.19 2.79 0.04 -1.26 -0.54 135.00 141.32 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 -0.22 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1pn0 s PRO 280 CO -0.08 -0.20 0.03 0.54 0.04 0.00 0.00 177.00 177.33 1pn0 n ARG 281 N 2.23 1.46 -1.31 4.56 5.12 -0.12 -4.71 116.66 123.90 1pn0 n ARG 281 Ca 0.04 -1.35 -0.30 0.00 -1.93 0.00 0.00 57.85 54.31 1pn0 n ARG 281 Cb 0.43 0.31 0.11 0.00 -1.16 0.00 0.00 32.46 32.15 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 -2.72 1.87 -1.48 5.56 1.03 -1.26 -4.33 118.70 117.37 1pn0 s GLU 282 Ca 0.03 0.92 -0.07 0.00 0.03 0.00 0.00 54.97 55.88 1pn0 s GLU 282 Cb -0.00 -1.87 0.05 0.00 -0.80 0.00 0.00 34.13 31.51 1pn0 s GLU 282 CO 0.02 -1.84 0.70 0.09 -1.33 0.00 0.00 175.26 172.89 1pn0 n ASN 283 N -3.63 -2.26 0.00 0.83 3.02 -1.26 -1.34 115.26 110.62 1pn0 n ASN 283 Ca 0.08 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1pn0 n ASN 283 Cb 0.54 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 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 -2.90 -1.08 -4.83 6.41 3.02 -1.26 -5.00 115.26 109.62 1pn0 n ASN 284 Ca -0.14 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.09 1pn0 n ASN 284 Cb 0.60 -1.84 -0.02 0.00 -0.61 0.00 0.00 39.78 37.92 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 3.56 -0.01 3.41 1.43 -0.45 -4.45 118.68 122.17 1pn0 s LEU 285 Ca 0.00 1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1pn0 s LEU 285 Cb 0.00 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.72 1pn0 s LEU 285 CO 0.00 -0.79 0.02 -0.69 0.23 0.00 0.00 176.35 175.12 1pn0 s VAL 286 N -2.60 -0.04 -0.08 -1.59 1.01 0.42 -0.94 120.40 116.59 1pn0 s VAL 286 Ca 0.60 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 1pn0 s VAL 286 Cb -0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1pn0 s VAL 286 CO 0.34 0.05 0.37 -0.60 0.00 0.00 0.00 175.10 175.27 1pn0 s ARG 287 N 0.64 4.07 -0.18 2.72 3.52 0.30 -1.46 118.95 128.56 1pn0 s ARG 287 Ca -0.05 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.85 1pn0 s ARG 287 Cb -0.08 -3.32 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 1pn0 s ARG 287 CO -0.02 0.45 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.69 1pn0 s PHE 288 N -0.26 2.71 -0.25 5.12 0.40 0.57 -0.40 117.98 125.88 1pn0 s PHE 288 Ca 0.21 -1.64 -0.19 0.00 -0.60 0.00 0.00 56.93 54.71 1pn0 s PHE 288 Cb -0.15 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1pn0 s PHE 288 CO 0.09 -0.79 0.55 0.71 0.70 0.00 0.00 175.22 176.48 1pn0 s TYR 289 N 1.31 3.29 -0.17 0.36 1.51 -0.20 -1.12 117.35 122.33 1pn0 s TYR 289 Ca 0.03 0.71 0.01 0.00 -1.01 0.00 0.00 57.07 56.81 1pn0 s TYR 289 Cb -0.14 -2.75 0.03 0.00 -0.11 0.00 0.00 41.96 38.99 1pn0 s TYR 289 CO -0.12 -0.27 -0.14 0.08 -1.11 0.00 0.00 175.55 173.99 1pn0 s VAL 290 N 2.27 1.70 0.32 0.71 1.01 0.39 -1.11 120.40 125.69 1pn0 s VAL 290 Ca 0.23 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 1pn0 s VAL 290 Cb -0.16 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 1pn0 s VAL 290 CO 0.09 0.38 1.20 -1.58 0.00 0.00 0.00 175.10 175.19 1pn0 s GLN 291 N 1.41 4.45 0.47 2.72 0.74 -0.24 0.11 119.66 129.31 1pn0 s GLN 291 Ca 0.03 1.98 0.06 0.00 0.05 0.00 0.00 55.36 57.48 1pn0 s GLN 291 Cb -0.14 -3.07 -0.02 0.00 1.10 0.00 0.00 33.01 30.88 1pn0 s GLN 291 CO -0.10 -0.02 0.20 -0.51 -0.55 0.00 0.00 175.29 174.31 1pn0 s LEU 292 N -1.73 2.85 -0.11 3.68 1.43 0.22 -4.75 118.68 120.27 1pn0 s LEU 292 Ca 0.48 -1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.05 1pn0 s LEU 292 Cb -0.35 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1pn0 s LEU 292 CO 0.46 -0.75 1.79 -1.58 0.23 0.00 0.00 176.35 176.50 1pn0 s GLN 293 N -3.99 3.90 -0.72 1.70 2.00 -1.26 -4.52 119.66 116.77 1pn0 s GLN 293 Ca 0.32 2.09 -0.25 0.00 -2.00 0.00 0.00 55.36 55.52 1pn0 s GLN 293 Cb 0.02 -4.09 -0.15 0.00 0.80 0.00 0.00 33.01 29.59 1pn0 s GLN 293 CO 0.18 -1.19 2.44 0.00 -0.50 0.00 0.00 175.29 176.22 1pn0 n ALA 294 N 8.28 0.61 -3.59 1.58 0.00 -1.26 -4.87 120.51 121.25 1pn0 n ALA 294 Ca 0.20 -0.94 -0.06 0.00 0.00 0.00 0.00 53.44 52.65 1pn0 n ALA 294 Cb 0.43 -2.97 -0.01 0.00 0.00 0.00 0.00 19.45 16.91 1pn0 n ALA 294 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pn0 n THR 305 N 7.85 0.00 -2.73 0.00 -2.24 -1.26 -4.91 114.28 110.99 1pn0 n THR 305 Ca 0.49 -0.94 -0.08 0.00 -2.27 0.00 0.00 64.05 61.25 1pn0 n THR 305 Cb 0.37 0.66 0.06 0.00 -2.10 0.00 0.00 70.33 69.33 1pn0 n THR 305 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1pn0 n LYS 306 N -0.35 0.74 -3.88 -0.78 3.00 -1.26 -5.11 118.16 110.52 1pn0 n LYS 306 Ca -0.02 -1.63 -0.36 0.00 -0.00 0.00 0.00 58.31 56.30 1pn0 n LYS 306 Cb 0.37 -1.22 -0.13 0.00 0.00 0.00 0.00 35.03 34.05 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 0.54 3.05 0.35 5.64 0.08 -1.26 -4.97 117.98 121.40 1pn0 s PHE 307 Ca 0.29 -0.53 0.08 0.00 0.12 0.00 0.00 56.93 56.89 1pn0 s PHE 307 Cb 0.24 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1pn0 s PHE 307 CO -0.19 -0.36 0.15 0.95 -0.10 0.00 0.00 175.22 175.68 1pn0 s THR 308 N 1.38 2.97 0.28 0.64 -4.23 -1.26 -5.00 115.64 110.42 1pn0 s THR 308 Ca 0.05 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1pn0 s THR 308 Cb -0.15 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 70.99 1pn0 s THR 308 CO 0.02 -0.17 1.84 -0.65 -0.54 0.00 0.00 174.62 175.12 1pn0 h PRO 309 N 1.52 0.99 -0.74 3.99 0.11 -1.98 -1.95 132.00 133.95 1pn0 h PRO 309 Ca -0.44 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1pn0 h PRO 309 Cb 1.25 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1pn0 h PRO 309 CO 0.63 0.66 0.48 0.93 -0.21 0.00 0.00 178.00 180.49 1pn0 h GLU 310 N 1.02 0.94 -0.53 1.05 3.07 -1.99 0.24 114.58 118.39 1pn0 h GLU 310 Ca 0.49 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 59.17 1pn0 h GLU 310 Cb 0.44 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1pn0 h GLU 310 CO -0.25 0.62 -0.14 0.28 -1.40 0.00 0.00 179.01 178.12 1pn0 h VAL 311 N 0.97 1.27 -0.61 3.13 2.07 -1.76 -0.74 116.25 120.58 1pn0 h VAL 311 Ca 0.28 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 1pn0 h VAL 311 Cb -0.07 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1pn0 h VAL 311 CO -0.07 0.46 0.22 0.58 0.02 0.00 0.00 177.57 178.77 1pn0 h VAL 312 N 0.90 1.24 -0.60 2.57 2.07 -0.70 -1.64 116.25 120.08 1pn0 h VAL 312 Ca 0.13 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1pn0 h VAL 312 Cb 0.71 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1pn0 h VAL 312 CO 0.05 0.30 0.17 0.40 0.02 0.00 0.00 177.57 178.51 1pn0 h ILE 313 N 0.86 1.24 -0.51 4.57 2.04 -0.35 -0.81 117.51 124.54 1pn0 h ILE 313 Ca 0.20 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1pn0 h ILE 313 Cb 0.24 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1pn0 h ILE 313 CO -0.01 0.32 0.24 0.00 0.00 0.00 0.00 178.15 178.70 1pn0 h ALA 314 N 1.29 0.66 -0.37 1.87 0.00 -0.63 -1.06 119.26 121.01 1pn0 h ALA 314 Ca 0.20 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1pn0 h ALA 314 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1pn0 h ALA 314 CO -0.00 0.23 -0.32 -0.97 0.00 0.00 0.00 179.25 178.19 1pn0 h ASN 315 N 0.68 0.85 -0.68 0.00 -1.24 -1.07 -2.81 115.58 111.30 1pn0 h ASN 315 Ca 0.18 -0.35 0.02 0.00 0.71 0.00 0.00 56.30 56.85 1pn0 h ASN 315 Cb 0.13 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.90 1pn0 h ASN 315 CO -0.02 1.09 0.44 0.00 -1.29 0.00 0.00 177.43 177.65 1pn0 h ALA 316 N 0.95 0.88 -0.97 1.57 0.00 -0.82 -1.29 119.26 119.58 1pn0 h ALA 316 Ca 0.07 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1pn0 h ALA 316 Cb 0.86 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1pn0 h ALA 316 CO 0.08 0.24 0.63 0.87 0.00 0.00 0.00 179.25 181.06 1pn0 h LYS 317 N 0.87 1.14 -0.40 0.00 1.57 -0.99 0.04 116.57 118.80 1pn0 h LYS 317 Ca 0.26 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 1pn0 h LYS 317 Cb -0.03 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 1pn0 h LYS 317 CO -0.08 0.75 -0.32 0.87 -0.57 0.00 0.00 179.45 180.10 1pn0 h LYS 318 N 1.17 0.91 -0.20 3.15 1.57 -1.15 -2.92 116.57 119.10 1pn0 h LYS 318 Ca 0.41 -0.44 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1pn0 h LYS 318 Cb 0.10 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1pn0 h LYS 318 CO -0.14 1.09 -0.45 0.82 -0.57 0.00 0.00 179.45 180.20 1pn0 h ILE 319 N 0.76 1.31 0.00 1.86 2.04 -0.49 -2.99 117.51 120.00 1pn0 h ILE 319 Ca 0.08 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1pn0 h ILE 319 Cb 0.90 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1pn0 h ILE 319 CO 0.08 0.51 0.00 -0.26 0.00 0.00 0.00 178.15 178.48 1pn0 h PHE 320 N 0.40 0.00 -1.14 1.37 0.04 -0.95 -3.44 116.94 113.21 1pn0 h PHE 320 Ca 0.03 0.00 -0.76 0.00 2.80 0.00 0.00 57.97 60.03 1pn0 h PHE 320 Cb 0.95 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.15 1pn0 h PHE 320 CO 0.03 0.00 0.12 1.58 -0.60 0.00 0.00 178.31 179.45 1pn0 n HIS 321 N -3.09 0.79 0.30 -0.55 -0.00 -1.11 -0.30 115.22 111.25 1pn0 n HIS 321 Ca 0.01 0.97 0.07 0.00 0.46 0.00 0.00 57.72 59.24 1pn0 n HIS 321 Cb 0.34 -2.14 0.23 0.00 -0.12 0.00 0.00 29.99 28.30 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 1.69 2.41 -2.00 1.57 -0.04 -1.26 -3.80 135.00 133.57 1pn0 n PRO 322 Ca 0.20 -1.85 -0.32 0.00 -0.04 0.00 0.00 63.50 61.49 1pn0 n PRO 322 Cb 0.11 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.48 3.13 0.51 0.54 2.02 0.59 -5.05 117.35 117.60 1pn0 s TYR 323 Ca 0.34 1.47 -0.09 0.00 -0.37 0.00 0.00 57.07 58.42 1pn0 s TYR 323 Cb 0.19 -2.93 -0.05 0.00 -0.40 0.00 0.00 41.96 38.78 1pn0 s TYR 323 CO 0.21 -0.98 0.87 0.95 -1.57 0.00 0.00 175.55 175.03 1pn0 s THR 324 N -2.65 4.79 -0.22 -0.71 -4.23 -1.26 -4.77 115.64 106.58 1pn0 s THR 324 Ca 0.61 0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 61.64 1pn0 s THR 324 Cb -0.14 -3.82 0.10 0.00 1.34 0.00 0.00 72.50 69.98 1pn0 s THR 324 CO 0.41 -0.84 0.47 0.12 -0.54 0.00 0.00 174.62 174.23 1pn0 s PHE 325 N -2.76 -0.91 0.05 3.99 5.36 -1.26 -3.76 117.98 118.68 1pn0 s PHE 325 Ca 0.52 1.68 -0.03 0.00 -0.96 0.00 0.00 56.93 58.13 1pn0 s PHE 325 Cb -0.10 0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 42.95 1pn0 s PHE 325 CO 0.43 -0.52 0.03 -0.51 -1.46 0.00 0.00 175.22 173.19 1pn0 s ASP 326 N 2.67 0.35 -0.28 6.13 1.01 -0.14 -4.84 116.67 121.57 1pn0 s ASP 326 Ca -0.02 -0.82 -0.08 0.00 0.71 0.00 0.00 52.55 52.34 1pn0 s ASP 326 Cb -0.12 0.22 -0.01 0.00 1.01 0.00 0.00 42.92 44.02 1pn0 s ASP 326 CO -0.14 -0.59 0.10 -0.69 0.21 0.00 0.00 175.17 174.06 1pn0 s VAL 327 N -3.51 4.30 0.14 -1.27 1.01 -1.26 0.04 120.40 119.85 1pn0 s VAL 327 Ca 0.03 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.71 1pn0 s VAL 327 Cb 0.05 -3.12 -0.16 0.00 0.00 0.00 0.00 36.38 33.15 1pn0 s VAL 327 CO -0.09 0.19 1.36 1.56 0.00 0.00 0.00 175.10 178.13 1pn0 h GLN 328 N 8.27 0.00 -2.09 2.72 4.20 -1.00 -3.47 115.11 123.74 1pn0 h GLN 328 Ca -0.35 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 1pn0 h GLN 328 Cb 1.15 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.72 1pn0 h GLN 328 CO 0.60 0.89 0.08 -1.14 -0.67 0.00 0.00 178.83 178.59 1pn0 s GLN 329 N -2.92 0.79 -0.18 1.46 0.74 -1.22 -4.97 119.66 113.36 1pn0 s GLN 329 Ca 0.01 0.96 0.01 0.00 0.05 0.00 0.00 55.36 56.39 1pn0 s GLN 329 Cb 0.10 0.37 0.03 0.00 1.10 0.00 0.00 33.01 34.61 1pn0 s GLN 329 CO 0.80 -0.10 -0.16 -1.17 -0.55 0.00 0.00 175.29 174.12 1pn0 s LEU 330 N 0.45 2.11 -0.02 3.68 2.96 -1.26 -1.25 118.68 125.35 1pn0 s LEU 330 Ca -0.01 -0.70 0.21 0.00 -0.22 0.00 0.00 54.13 53.42 1pn0 s LEU 330 Cb -0.05 -1.34 -0.28 0.00 0.50 0.00 0.00 46.19 45.02 1pn0 s LEU 330 CO -0.01 -0.06 0.51 0.47 -1.32 0.00 0.00 176.35 175.94 1pn0 n ASP 331 N 4.67 0.15 -3.56 3.68 9.92 0.67 -5.01 116.55 127.06 1pn0 n ASP 331 Ca -0.18 0.06 -0.06 0.00 -0.53 0.00 0.00 54.79 54.08 1pn0 n ASP 331 Cb 0.49 1.57 -0.02 0.00 -0.64 0.00 0.00 41.12 42.52 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 -3.32 -0.24 0.02 1.24 -0.00 -1.20 -4.84 118.94 110.61 1pn0 s TRP 332 Ca -0.07 0.12 -0.27 0.00 -0.00 0.00 0.00 56.10 55.88 1pn0 s TRP 332 Cb 0.12 0.54 0.09 0.00 -0.00 0.00 0.00 33.47 34.22 1pn0 s TRP 332 CO 0.88 -0.44 0.76 -0.59 -0.00 0.00 0.00 176.95 177.56 1pn0 s PHE 333 N -2.86 -0.48 0.36 5.86 -0.71 -1.26 -1.41 117.98 117.47 1pn0 s PHE 333 Ca 0.07 0.49 -0.17 0.00 -1.04 0.00 0.00 56.93 56.29 1pn0 s PHE 333 Cb -0.01 0.51 0.05 0.00 -1.21 0.00 0.00 43.02 42.36 1pn0 s PHE 333 CO -0.06 -0.64 0.80 -0.08 -1.34 0.00 0.00 175.22 173.89 1pn0 s THR 334 N -2.70 0.00 0.02 -4.49 -1.32 -0.87 -4.97 115.64 101.31 1pn0 s THR 334 Ca -0.01 -0.97 -0.08 0.00 -1.21 0.00 0.00 61.69 59.42 1pn0 s THR 334 Cb -0.01 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 1pn0 s THR 334 CO -0.05 0.00 0.16 0.00 -2.21 0.00 0.00 174.62 172.52 1pn0 s ALA 335 N -2.51 -0.33 0.17 11.08 0.00 -1.26 -0.26 121.76 128.65 1pn0 s ALA 335 Ca 0.15 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 1pn0 s ALA 335 Cb -0.05 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1pn0 s ALA 335 CO 0.10 -0.27 0.44 1.52 0.00 0.00 0.00 175.76 177.55 1pn0 s TYR 336 N -1.90 -0.05 0.10 0.00 -0.85 0.03 -4.99 117.35 109.69 1pn0 s TYR 336 Ca -0.11 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1pn0 s TYR 336 Cb -0.05 0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 1pn0 s TYR 336 CO -0.01 -0.81 0.26 -1.01 -1.52 0.00 0.00 175.55 172.47 1pn0 s HIS 337 N -3.87 3.50 -0.26 -3.49 3.76 -1.26 -1.07 115.29 112.60 1pn0 s HIS 337 Ca 0.09 0.26 -0.26 0.00 -0.15 0.00 0.00 55.06 54.99 1pn0 s HIS 337 Cb 0.01 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 31.93 1pn0 s HIS 337 CO -0.05 0.54 0.93 0.42 -0.85 0.00 0.00 174.74 175.72 1pn0 s ILE 338 N -1.61 4.73 0.19 0.60 -1.09 -0.25 -4.89 121.20 118.87 1pn0 s ILE 338 Ca 0.36 1.67 -0.24 0.00 -2.23 0.00 0.00 60.65 60.22 1pn0 s ILE 338 Cb -0.12 -4.23 0.05 0.00 -1.58 0.00 0.00 42.46 36.58 1pn0 s ILE 338 CO 0.28 -0.20 0.83 -0.83 -1.23 0.00 0.00 174.94 173.78 1pn0 s GLY 339 N 1.39 -0.23 -0.01 6.18 0.00 -1.26 -0.51 107.32 112.89 1pn0 s GLY 339 Ca 0.39 0.06 0.02 0.00 0.00 0.00 0.00 44.72 45.19 1pn0 s GLY 339 CO 0.09 0.01 -0.07 1.20 0.00 0.00 0.00 173.10 174.33 1pn0 s GLN 340 N -3.56 0.60 -0.04 2.90 1.11 -1.04 -3.58 119.66 116.05 1pn0 s GLN 340 Ca 0.10 -0.23 -0.08 0.00 0.01 0.00 0.00 55.36 55.16 1pn0 s GLN 340 Cb -0.03 -0.59 0.01 0.00 -1.01 0.00 0.00 33.01 31.39 1pn0 s GLN 340 CO 0.02 0.12 0.19 1.03 0.01 0.00 0.00 175.29 176.66 1pn0 s ARG 341 N -0.02 0.36 -0.07 2.91 0.52 -0.24 -3.18 118.95 119.24 1pn0 s ARG 341 Ca 0.01 0.00 -0.15 0.00 -0.52 0.00 0.00 55.73 55.07 1pn0 s ARG 341 Cb -0.04 0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.62 1pn0 s ARG 341 CO -0.00 -0.07 0.36 0.54 0.02 0.00 0.00 175.30 176.15 1pn0 s VAL 342 N -0.54 0.03 0.34 3.52 0.11 -0.42 -1.03 120.40 122.42 1pn0 s VAL 342 Ca -0.06 -0.26 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 1pn0 s VAL 342 Cb -0.04 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 1pn0 s VAL 342 CO 0.01 -0.14 0.64 0.42 -3.33 0.00 0.00 175.10 172.70 1pn0 s THR 343 N -0.74 4.94 0.13 5.04 -4.23 -0.72 -0.90 115.64 119.16 1pn0 s THR 343 Ca -0.08 0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.74 1pn0 s THR 343 Cb -0.04 -3.74 -0.20 0.00 1.34 0.00 0.00 72.50 69.85 1pn0 s THR 343 CO 0.03 -0.42 1.29 -0.33 -0.54 0.00 0.00 174.62 174.65 1pn0 h GLU 344 N 1.44 0.01 -6.43 3.99 4.39 -1.93 -3.46 114.58 112.59 1pn0 h GLU 344 Ca -0.48 -0.02 -0.69 0.00 0.34 0.00 0.00 59.36 58.52 1pn0 h GLU 344 Cb 1.19 0.01 -0.22 0.00 -0.10 0.00 0.00 28.75 29.63 1pn0 h GLU 344 CO 0.65 0.99 -0.78 0.15 -1.16 0.00 0.00 179.01 178.86 1pn0 s LYS 345 N -2.75 2.33 0.00 2.33 -0.14 -1.26 -5.00 119.74 115.25 1pn0 s LYS 345 Ca 0.01 -0.82 0.04 0.00 -1.36 0.00 0.00 55.97 53.84 1pn0 s LYS 345 Cb 0.10 -2.31 0.04 0.00 -1.68 0.00 0.00 37.83 33.98 1pn0 s LYS 345 CO 0.82 0.58 0.66 1.19 -0.76 0.00 0.00 175.35 177.85 1pn0 n PHE 346 N 1.88 0.01 -3.64 3.18 3.01 -1.26 -4.94 117.46 115.70 1pn0 n PHE 346 Ca -0.16 -0.04 -0.15 0.00 1.01 0.00 0.00 57.45 58.11 1pn0 n PHE 346 Cb 0.52 -0.00 -0.08 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 -0.38 -0.58 -0.23 4.37 0.15 -1.26 -1.32 113.70 114.45 1pn0 s SER 347 Ca 0.05 0.93 -0.02 0.00 0.70 0.00 0.00 55.95 57.61 1pn0 s SER 347 Cb 0.03 0.92 0.01 0.00 -1.71 0.00 0.00 66.02 65.28 1pn0 s SER 347 CO 0.05 -0.35 -0.07 -0.75 1.20 0.00 0.00 173.24 173.33 1pn0 s LYS 348 N -0.30 3.05 -0.93 5.44 2.47 0.07 -4.68 119.74 124.87 1pn0 s LYS 348 Ca -0.05 -0.84 0.00 0.00 -1.56 0.00 0.00 55.97 53.53 1pn0 s LYS 348 Cb -0.03 -2.96 0.00 0.00 -1.46 0.00 0.00 37.83 33.38 1pn0 s LYS 348 CO 0.04 -0.31 0.00 -0.25 0.16 0.00 0.00 175.35 174.99 1pn0 n ASP 349 N 4.71 -5.36 -3.88 1.43 8.00 -1.26 -1.04 116.55 119.15 1pn0 n ASP 349 Ca -0.18 0.22 -0.31 0.00 0.71 0.00 0.00 54.79 55.23 1pn0 n ASP 349 Cb 0.49 -3.63 -0.01 0.00 -0.02 0.00 0.00 41.12 37.95 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 -1.00 -3.74 0.00 -1.24 4.71 -1.26 -4.82 120.64 113.28 1pn0 n GLU 350 Ca -0.09 0.45 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 1pn0 n GLU 350 Cb 0.51 -5.21 0.00 0.00 -1.01 0.00 0.00 31.44 25.72 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 -4.23 0.00 -4.19 3.49 5.12 -0.21 -4.98 116.66 111.66 1pn0 n ARG 351 Ca 0.04 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.62 1pn0 n ARG 351 Cb 0.51 -0.77 -0.14 0.00 -1.16 0.00 0.00 32.46 30.91 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 -1.88 3.27 0.20 1.55 1.01 -0.75 -1.34 120.40 122.47 1pn0 s VAL 352 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.53 1pn0 s VAL 352 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1pn0 s VAL 352 CO 0.00 0.46 -0.07 -0.36 0.00 0.00 0.00 175.10 175.13 1pn0 s PHE 353 N 1.07 2.65 0.14 5.22 0.08 0.22 -0.75 117.98 126.61 1pn0 s PHE 353 Ca 0.01 -0.22 0.10 0.00 0.12 0.00 0.00 56.93 56.93 1pn0 s PHE 353 Cb -0.15 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1pn0 s PHE 353 CO -0.01 0.55 -0.23 0.96 -0.10 0.00 0.00 175.22 176.38 1pn0 s ILE 354 N -1.88 2.08 0.11 0.64 -4.36 -0.43 0.16 121.20 117.52 1pn0 s ILE 354 Ca 0.27 -1.80 -0.10 0.00 -0.26 0.00 0.00 60.65 58.76 1pn0 s ILE 354 Cb -0.08 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.74 1pn0 s ILE 354 CO 0.16 -0.06 0.25 0.00 0.24 0.00 0.00 174.94 175.53 1pn0 s ALA 355 N -1.39 -0.35 0.00 2.27 0.00 -0.57 -4.87 121.76 116.86 1pn0 s ALA 355 Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1pn0 s ALA 355 Cb -0.09 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1pn0 s ALA 355 CO 0.07 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1pn0 n GLY 356 N -0.12 1.13 0.30 0.00 0.00 -1.26 -3.19 105.19 102.05 1pn0 n GLY 356 Ca -0.14 -0.74 0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 9.14 0.00 -0.08 1.61 5.19 -1.86 0.21 116.42 130.63 1pn0 h ASP 357 Ca 0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1pn0 h ASP 357 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1pn0 h ASP 357 CO 0.00 0.00 0.10 0.00 -3.12 0.00 0.00 179.24 176.22 1pn0 h ALA 358 N 1.99 1.58 0.00 3.45 0.00 -1.48 -2.99 119.26 121.81 1pn0 h ALA 358 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1pn0 h ALA 358 Cb 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1pn0 h ALA 358 CO -0.00 -0.14 -1.91 0.00 0.00 0.00 0.00 179.25 177.21 1pn0 s HIS 360 N -2.56 -0.80 0.12 0.00 0.00 -0.81 -1.75 115.29 109.49 1pn0 s HIS 360 Ca -0.07 1.62 0.07 0.00 -3.00 0.00 0.00 55.06 53.68 1pn0 s HIS 360 Cb 0.06 0.41 -0.04 0.00 -4.00 0.00 0.00 32.58 29.01 1pn0 s HIS 360 CO 0.61 -0.43 -0.16 0.95 -1.00 0.00 0.00 174.74 174.70 1pn0 s THR 361 N 1.66 1.48 0.13 -5.38 -4.23 -0.20 -4.10 115.64 105.01 1pn0 s THR 361 Ca -0.09 -1.65 -0.24 0.00 -1.18 0.00 0.00 61.69 58.53 1pn0 s THR 361 Cb -0.08 -1.53 0.08 0.00 1.34 0.00 0.00 72.50 72.32 1pn0 s THR 361 CO -0.15 -0.28 1.10 -1.38 -0.54 0.00 0.00 174.62 173.36 1pn0 s HIS 362 N -1.76 0.04 0.72 3.99 -3.43 -1.25 -1.08 115.29 112.51 1pn0 s HIS 362 Ca 0.08 -0.35 -0.11 0.00 -0.80 0.00 0.00 55.06 53.88 1pn0 s HIS 362 Cb -0.07 0.66 0.02 0.00 -1.43 0.00 0.00 32.58 31.76 1pn0 s HIS 362 CO 0.04 -0.74 1.07 -1.54 -2.00 0.00 0.00 174.74 171.57 1pn0 s SER 363 N -3.42 5.10 -0.05 7.38 1.04 -1.24 -4.89 113.70 117.62 1pn0 s SER 363 Ca 0.22 1.70 0.10 0.00 0.48 0.00 0.00 55.95 58.45 1pn0 s SER 363 Cb -0.02 -2.51 0.37 0.00 0.10 0.00 0.00 66.02 63.97 1pn0 s SER 363 CO 0.03 -1.63 1.22 -0.81 0.98 0.00 0.00 173.24 173.03 1pn0 n PRO 364 N -3.21 2.37 0.23 4.02 -0.04 -1.26 -4.48 135.00 132.62 1pn0 n PRO 364 Ca 0.08 -1.48 0.14 0.00 -0.04 0.00 0.00 63.50 62.20 1pn0 n PRO 364 Cb 0.53 -1.55 0.78 0.00 -0.04 0.00 0.00 33.50 33.21 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 2.15 0.00 -0.08 0.54 1.79 -1.99 -0.89 116.57 118.10 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 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1pn0 h LYS 365 CO 0.11 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.48 1pn0 n ALA 366 N -2.44 2.46 -4.15 3.86 0.00 -1.26 -5.01 120.51 113.97 1pn0 n ALA 366 Ca -0.00 -2.48 -0.31 0.00 0.00 0.00 0.00 53.44 50.65 1pn0 n ALA 366 Cb 0.20 -0.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.13 -0.26 0.02 0.00 0.00 -0.34 -4.86 105.19 98.62 1pn0 n GLY 367 Ca 0.17 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.56 0.12 0.29 1.61 1.13 -1.26 -4.56 117.38 110.16 1pn0 n GLN 368 Ca -0.29 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.65 1pn0 n GLN 368 Cb 0.68 -1.55 -0.06 0.00 0.11 0.00 0.00 30.24 29.43 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 4.80 -0.80 0.89 1.08 0.00 -1.89 -0.95 103.07 106.20 1pn0 h GLY 369 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.65 1pn0 h GLY 369 CO 0.00 -0.29 0.42 1.98 0.00 0.00 0.00 176.54 178.65 1pn0 h MET 370 N -1.02 0.81 0.02 4.80 1.85 -1.87 -1.16 114.93 118.37 1pn0 h MET 370 Ca -0.08 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 58.99 1pn0 h MET 370 Cb 0.59 -0.18 -0.05 0.00 0.43 0.00 0.00 31.60 32.39 1pn0 h MET 370 CO 0.13 0.54 -0.35 -0.91 -0.40 0.00 0.00 176.91 175.92 1pn0 h ASN 371 N 0.84 -1.04 -0.30 1.39 2.35 -1.75 -1.36 115.58 115.70 1pn0 h ASN 371 Ca 0.27 0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 56.04 1pn0 h ASN 371 Cb 0.00 0.41 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1pn0 h ASN 371 CO -0.10 -0.41 -0.18 0.74 -1.65 0.00 0.00 177.43 175.83 1pn0 h THR 372 N -0.52 1.27 -0.41 2.81 2.02 -0.94 -1.03 112.91 116.11 1pn0 h THR 372 Ca 0.05 -1.28 -0.13 0.00 0.77 0.00 0.00 66.41 65.82 1pn0 h THR 372 Cb 0.59 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1pn0 h THR 372 CO -0.27 0.43 -0.26 0.28 0.37 0.00 0.00 175.52 176.07 1pn0 h SER 373 N 0.68 0.95 -0.21 4.18 0.02 -1.06 0.81 113.55 118.92 1pn0 h SER 373 Ca 0.10 -0.42 -0.12 0.00 -0.84 0.00 0.00 61.79 60.50 1pn0 h SER 373 Cb 0.68 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1pn0 h SER 373 CO 0.05 1.17 -0.30 0.24 -1.14 0.00 0.00 176.83 176.85 1pn0 h MET 374 N 0.73 0.71 0.00 3.45 2.07 -1.12 -2.78 114.93 117.99 1pn0 h MET 374 Ca 0.09 -0.32 -0.07 0.00 -2.07 0.00 0.00 59.70 57.33 1pn0 h MET 374 Cb 0.84 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.54 1pn0 h MET 374 CO 0.07 0.92 -0.33 0.52 1.07 0.00 0.00 176.91 179.16 1pn0 h MET 375 N 0.60 0.00 -0.08 1.72 2.86 -0.82 0.02 114.93 119.24 1pn0 h MET 375 Ca 0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1pn0 h MET 375 Cb 0.81 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1pn0 h MET 375 CO 0.07 0.33 0.04 -0.44 1.06 0.00 0.00 176.91 177.97 1pn0 h ASP 376 N 0.00 0.10 1.83 1.22 3.32 -0.58 -2.03 116.42 120.29 1pn0 h ASP 376 Ca -0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1pn0 h ASP 376 Cb 0.59 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1pn0 h ASP 376 CO 0.04 0.19 -0.05 0.71 -1.72 0.00 0.00 179.24 178.41 1pn0 h THR 377 N 0.01 0.09 -0.53 0.35 1.35 -1.32 -0.92 112.91 111.94 1pn0 h THR 377 Ca 0.03 -1.07 -0.06 0.00 -0.55 0.00 0.00 66.41 64.75 1pn0 h THR 377 Cb 0.11 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 1pn0 h THR 377 CO -0.00 0.05 0.07 0.22 -0.25 0.00 0.00 175.52 175.61 1pn0 h TYR 378 N 0.00 0.89 0.06 4.73 3.20 -0.90 0.83 116.97 125.79 1pn0 h TYR 378 Ca -0.00 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 1pn0 h TYR 378 Cb 0.98 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1pn0 h TYR 378 CO 0.00 0.77 -0.03 -0.97 -1.64 0.00 0.00 178.16 176.29 1pn0 h ASN 379 N 0.80 -0.07 -0.09 -2.11 -0.73 -1.02 -3.32 115.58 109.04 1pn0 h ASN 379 Ca 0.17 -0.46 -0.13 0.00 1.87 0.00 0.00 56.30 57.75 1pn0 h ASN 379 Cb 0.38 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1pn0 h ASN 379 CO 0.01 0.44 -0.36 0.25 -0.37 0.00 0.00 177.43 177.41 1pn0 h LEU 380 N -0.62 0.62 -0.84 0.34 5.85 -1.15 -3.30 115.31 116.20 1pn0 h LEU 380 Ca -0.01 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1pn0 h LEU 380 Cb 0.53 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1pn0 h LEU 380 CO 0.01 0.93 0.51 1.23 -0.34 0.00 0.00 178.44 180.78 1pn0 h GLY 381 N 1.03 1.21 1.90 3.75 0.00 -0.92 -0.56 103.07 109.49 1pn0 h GLY 381 Ca 0.05 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 1pn0 h GLY 381 CO 0.07 0.48 -0.66 0.11 0.00 0.00 0.00 176.54 176.54 1pn0 h TRP 382 N 1.15 0.13 -0.10 5.60 5.08 -1.66 -0.22 115.95 125.94 1pn0 h TRP 382 Ca 0.30 -0.06 -0.03 0.00 1.08 0.00 0.00 58.89 60.18 1pn0 h TRP 382 Cb -0.06 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 26.08 1pn0 h TRP 382 CO -0.00 0.73 -0.07 0.87 -1.28 0.00 0.00 178.44 178.69 1pn0 h LYS 383 N 0.07 0.21 -0.69 0.12 1.57 -1.53 -1.11 116.57 115.22 1pn0 h LYS 383 Ca -0.01 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1pn0 h LYS 383 Cb 1.18 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1pn0 h LYS 383 CO 0.09 0.60 0.20 1.25 -0.57 0.00 0.00 179.45 181.03 1pn0 h LEU 384 N -0.18 1.00 -0.33 2.94 5.85 -1.12 -2.04 115.31 121.43 1pn0 h LEU 384 Ca 0.02 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1pn0 h LEU 384 Cb 0.55 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1pn0 h LEU 384 CO 0.02 0.94 0.19 1.23 -0.34 0.00 0.00 178.44 180.48 1pn0 h GLY 385 N 1.08 0.48 1.46 3.75 0.00 -0.91 0.10 103.07 109.04 1pn0 h GLY 385 Ca 0.22 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1pn0 h GLY 385 CO -0.01 0.20 -0.07 1.41 0.00 0.00 0.00 176.54 178.08 1pn0 h LEU 386 N 0.42 0.63 -0.14 3.11 3.38 -1.09 -2.26 115.31 119.37 1pn0 h LEU 386 Ca 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1pn0 h LEU 386 Cb 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1pn0 h LEU 386 CO -0.02 0.74 0.02 0.58 0.09 0.00 0.00 178.44 179.85 1pn0 h VAL 387 N 0.60 1.22 0.00 1.22 2.07 -0.86 0.97 116.25 121.48 1pn0 h VAL 387 Ca 0.11 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1pn0 h VAL 387 Cb 0.48 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1pn0 h VAL 387 CO 0.03 0.21 -0.19 -0.07 0.02 0.00 0.00 177.57 177.57 1pn0 h LEU 388 N 0.01 0.00 -1.34 2.57 3.38 -0.70 -1.80 115.31 117.43 1pn0 h LEU 388 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1pn0 h LEU 388 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1pn0 h LEU 388 CO 0.00 0.19 0.00 0.35 0.09 0.00 0.00 178.44 179.07 1pn0 n THR 389 N -4.05 0.45 -1.27 0.22 -2.24 -0.86 -4.91 114.28 101.62 1pn0 n THR 389 Ca -0.02 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.19 1pn0 n THR 389 Cb 0.27 0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.10 1.11 0.03 3.38 0.00 -0.68 -4.90 105.19 105.23 1pn0 n GLY 390 Ca 0.13 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.72 0.65 -4.09 1.61 1.74 0.28 -4.68 116.66 109.43 1pn0 n ARG 391 Ca -0.09 -0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 56.76 1pn0 n ARG 391 Cb 0.31 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 30.06 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 -3.48 0.62 0.31 7.54 0.00 -0.83 -1.30 121.76 124.63 1pn0 s ALA 392 Ca -0.06 -1.08 -0.28 0.00 0.00 0.00 0.00 51.96 50.53 1pn0 s ALA 392 Cb 0.13 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 23.33 1pn0 s ALA 392 CO 0.88 -0.23 1.13 0.15 0.00 0.00 0.00 175.76 177.69 1pn0 s LYS 393 N -3.10 4.49 0.49 0.00 1.02 -0.71 -4.34 119.74 117.60 1pn0 s LYS 393 Ca 0.02 1.83 0.20 0.00 0.02 0.00 0.00 55.97 58.04 1pn0 s LYS 393 Cb 0.01 -3.05 1.24 0.00 -0.52 0.00 0.00 37.83 35.52 1pn0 s LYS 393 CO -0.05 0.06 1.99 -0.09 -0.92 0.00 0.00 175.35 176.34 1pn0 h ARG 394 N 3.49 0.16 -0.20 1.68 2.43 -1.95 -1.68 114.38 118.32 1pn0 h ARG 394 Ca -0.47 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.74 1pn0 h ARG 394 Cb 1.22 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1pn0 h ARG 394 CO 0.66 0.11 0.35 -0.44 -1.51 0.00 0.00 179.97 179.13 1pn0 h ASP 395 N 0.17 0.00 0.53 -3.80 3.32 -1.96 -0.24 116.42 114.43 1pn0 h ASP 395 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1pn0 h ASP 395 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1pn0 h ASP 395 CO -0.04 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.64 1pn0 h ILE 396 N 0.00 0.00 0.00 0.35 3.07 -1.67 -2.52 117.51 116.74 1pn0 h ILE 396 Ca 0.09 -0.24 -0.05 0.00 1.55 0.00 0.00 64.86 66.21 1pn0 h ILE 396 Cb 0.80 1.15 -0.01 0.00 -0.27 0.00 0.00 36.82 38.48 1pn0 h ILE 396 CO -0.00 0.00 -0.24 -0.07 -1.05 0.00 0.00 178.15 176.78 1pn0 h LEU 397 N 0.00 0.00 -2.33 0.16 3.38 -1.26 -1.88 115.31 113.38 1pn0 h LEU 397 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1pn0 h LEU 397 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1pn0 h LEU 397 CO 0.00 0.24 0.10 0.11 0.09 0.00 0.00 178.44 178.98 1pn0 h LYS 398 N 0.00 0.00 0.00 1.13 1.57 -1.64 -2.45 116.57 115.18 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1pn0 h LYS 398 CO 0.03 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 1pn0 n THR 399 N -3.85 0.76 0.26 -0.16 -2.24 -0.71 -2.87 114.28 105.47 1pn0 n THR 399 Ca -0.01 0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.72 1pn0 n THR 399 Cb 0.20 -0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 67.36 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 -0.62 -0.79 4.78 3.20 -1.60 -1.07 116.97 120.87 1pn0 h TYR 400 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1pn0 h TYR 400 Cb 0.46 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 1pn0 h TYR 400 CO 0.00 -0.29 0.46 1.49 -1.64 0.00 0.00 178.16 178.18 1pn0 h GLU 401 N -0.92 1.07 -0.53 1.82 4.81 -1.75 0.16 114.58 119.25 1pn0 h GLU 401 Ca -0.07 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1pn0 h GLU 401 Cb 0.60 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1pn0 h GLU 401 CO 0.11 0.77 0.36 0.93 -0.73 0.00 0.00 179.01 180.44 1pn0 h GLU 402 N 1.08 0.54 0.08 1.92 5.08 -1.41 -1.47 114.58 120.41 1pn0 h GLU 402 Ca 0.28 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.30 1pn0 h GLU 402 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1pn0 h GLU 402 CO -0.05 0.36 -1.70 0.93 -1.00 0.00 0.00 179.01 177.55 1pn0 h GLU 403 N 0.56 0.18 0.00 2.33 5.08 -0.87 -3.41 114.58 118.44 1pn0 h GLU 403 Ca 0.22 -0.30 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 1pn0 h GLU 403 Cb 0.18 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1pn0 h GLU 403 CO -0.06 1.14 -1.38 0.00 -1.00 0.00 0.00 179.01 177.71 1pn0 h ARG 404 N -0.33 0.00 -0.17 2.33 2.47 -0.60 -3.29 114.38 114.79 1pn0 h ARG 404 Ca -0.39 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.21 1pn0 h ARG 404 Cb 1.76 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.08 1pn0 h ARG 404 CO -0.02 0.38 -0.36 0.37 0.56 0.00 0.00 179.97 180.91 1pn0 h GLN 405 N 0.00 0.54 -0.29 0.04 -0.00 -1.44 -1.78 115.11 112.17 1pn0 h GLN 405 Ca -0.17 -0.35 -0.03 0.00 -0.00 0.00 0.00 58.65 58.10 1pn0 h GLN 405 Cb 1.67 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 29.18 1pn0 h GLN 405 CO 0.06 0.97 0.07 -1.35 0.00 0.00 0.00 178.83 178.58 1pn0 h PRO 406 N 0.18 0.42 -0.49 -2.39 0.11 -1.75 -1.15 132.00 126.94 1pn0 h PRO 406 Ca 0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1pn0 h PRO 406 Cb 0.96 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1pn0 h PRO 406 CO 0.08 0.39 0.13 0.35 -0.21 0.00 0.00 178.00 178.74 1pn0 h PHE 407 N 0.42 0.80 -0.69 0.65 3.57 -1.59 -1.40 116.94 118.69 1pn0 h PHE 407 Ca 0.10 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1pn0 h PHE 407 Cb 0.16 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1pn0 h PHE 407 CO 0.00 0.71 0.45 0.00 -2.23 0.00 0.00 178.31 177.25 1pn0 h ALA 408 N 1.00 0.89 -0.81 2.41 0.00 -0.52 0.61 119.26 122.83 1pn0 h ALA 408 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1pn0 h ALA 408 Cb 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1pn0 h ALA 408 CO -0.00 0.28 0.53 0.37 0.00 0.00 0.00 179.25 180.42 1pn0 h GLN 409 N 0.92 1.03 -0.46 0.00 5.75 -1.01 0.22 115.11 121.56 1pn0 h GLN 409 Ca 0.26 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.62 1pn0 h GLN 409 Cb -0.08 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.22 1pn0 h GLN 409 CO -0.07 0.68 -0.03 0.00 -2.65 0.00 0.00 178.83 176.76 1pn0 h ALA 410 N 1.31 1.08 -0.43 3.38 0.00 -0.49 0.41 119.26 124.52 1pn0 h ALA 410 Ca 0.31 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1pn0 h ALA 410 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1pn0 h ALA 410 CO -0.09 0.58 0.10 1.25 0.00 0.00 0.00 179.25 181.09 1pn0 h LEU 411 N 0.72 0.66 -0.69 0.00 5.85 -0.26 -0.37 115.31 121.22 1pn0 h LEU 411 Ca 0.14 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1pn0 h LEU 411 Cb 0.49 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1pn0 h LEU 411 CO 0.02 0.72 0.14 0.40 -0.34 0.00 0.00 178.44 179.39 1pn0 h ILE 412 N 0.57 1.26 -0.51 4.05 5.03 -0.59 -0.08 117.51 127.24 1pn0 h ILE 412 Ca 0.14 -1.00 -0.03 0.00 -0.12 0.00 0.00 64.86 63.84 1pn0 h ILE 412 Cb 0.32 0.58 -0.02 0.00 -3.03 0.00 0.00 36.82 34.68 1pn0 h ILE 412 CO 0.00 0.38 0.19 0.44 -0.68 0.00 0.00 178.15 178.48 1pn0 h ASP 413 N 1.05 0.72 -0.04 1.72 3.32 -0.71 0.15 116.42 122.62 1pn0 h ASP 413 Ca 0.21 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pn0 h ASP 413 Cb 0.40 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1pn0 h ASP 413 CO 0.01 0.70 0.03 0.15 -1.72 0.00 0.00 179.24 178.41 1pn0 h PHE 414 N 0.69 0.05 -0.28 4.55 3.57 -0.82 -2.97 116.94 121.72 1pn0 h PHE 414 Ca 0.17 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 1pn0 h PHE 414 Cb 0.22 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1pn0 h PHE 414 CO 0.01 0.06 -0.23 0.22 -2.23 0.00 0.00 178.31 176.14 1pn0 h ASP 415 N 0.03 0.53 -0.40 0.41 3.58 -0.76 -1.66 116.42 118.15 1pn0 h ASP 415 Ca 0.01 -0.17 0.07 0.00 0.42 0.00 0.00 57.03 57.36 1pn0 h ASP 415 Cb 0.02 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 40.86 1pn0 h ASP 415 CO -0.00 0.76 -0.01 -0.74 -2.88 0.00 0.00 179.24 176.36 1pn0 h HIS 416 N 0.47 -0.05 -0.04 0.28 2.76 -0.55 -0.05 115.15 117.97 1pn0 h HIS 416 Ca 0.07 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1pn0 h HIS 416 Cb 0.65 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1pn0 h HIS 416 CO 0.02 -0.09 -0.12 0.37 -1.30 0.00 0.00 177.93 176.81 1pn0 h GLN 417 N 0.09 0.16 -0.43 5.26 4.15 -1.45 -3.18 115.11 119.71 1pn0 h GLN 417 Ca 0.20 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1pn0 h GLN 417 Cb 0.28 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1pn0 h GLN 417 CO -0.34 0.73 0.22 0.35 -1.93 0.00 0.00 178.83 177.85 1pn0 h PHE 418 N -0.38 0.61 -0.43 3.99 3.57 -1.11 -1.07 116.94 122.12 1pn0 h PHE 418 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1pn0 h PHE 418 Cb 0.73 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1pn0 h PHE 418 CO 0.13 0.49 0.11 0.66 -2.23 0.00 0.00 178.31 177.46 1pn0 h SER 419 N 0.55 0.59 0.19 0.41 4.64 -1.15 -0.95 113.55 117.84 1pn0 h SER 419 Ca 0.15 -0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 1pn0 h SER 419 Cb 0.10 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1pn0 h SER 419 CO -0.02 0.59 -0.74 0.03 -0.87 0.00 0.00 176.83 175.82 1pn0 h ARG 420 N 0.63 0.47 -0.62 4.77 3.08 -1.43 -1.49 114.38 119.79 1pn0 h ARG 420 Ca 0.14 -0.38 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 1pn0 h ARG 420 Cb 0.23 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1pn0 h ARG 420 CO -0.00 1.02 0.02 -0.07 -1.07 0.00 0.00 179.97 179.87 1pn0 h LEU 421 N 0.32 1.04 -0.99 3.04 3.38 -0.84 -1.91 115.31 119.34 1pn0 h LEU 421 Ca -0.03 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 1pn0 h LEU 421 Cb 1.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1pn0 h LEU 421 CO 0.13 1.08 -0.41 0.15 0.09 0.00 0.00 178.44 179.48 1pn0 h PHE 422 N 0.98 0.22 -0.00 1.13 3.04 -1.10 -3.16 116.94 118.05 1pn0 h PHE 422 Ca 0.18 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1pn0 h PHE 422 Cb 0.53 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.99 1pn0 h PHE 422 CO 0.04 0.57 -0.51 0.43 -2.02 0.00 0.00 178.31 176.82 1pn0 n SER 423 N -4.03 0.66 -4.91 0.41 7.64 -0.57 -4.55 113.62 108.28 1pn0 n SER 423 Ca -0.01 -0.45 -0.28 0.00 1.01 0.00 0.00 58.87 59.14 1pn0 n SER 423 Cb 0.47 0.31 0.02 0.00 -1.01 0.00 0.00 64.21 64.01 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 -2.91 1.59 0.12 0.23 0.00 -0.74 -4.84 107.32 100.76 1pn0 s GLY 424 Ca 0.13 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 1pn0 s GLY 424 CO 0.69 -0.30 1.00 -1.60 0.00 0.00 0.00 173.10 172.89 1pn0 s ARG 425 N -4.99 4.66 0.35 2.90 3.52 -1.26 -4.82 118.95 119.31 1pn0 s ARG 425 Ca 0.53 1.52 -0.28 0.00 -0.13 0.00 0.00 55.73 57.36 1pn0 s ARG 425 Cb -0.11 -3.36 -0.10 0.00 -1.56 0.00 0.00 34.95 29.82 1pn0 s ARG 425 CO 0.47 0.16 1.34 -1.25 -0.81 0.00 0.00 175.30 175.21 1pn0 s PRO 426 N -0.00 4.27 0.29 5.12 0.04 -1.26 0.16 135.00 143.62 1pn0 s PRO 426 Ca 0.48 2.28 -0.30 0.00 0.04 0.00 0.00 61.00 63.50 1pn0 s PRO 426 Cb -0.25 -3.02 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 1pn0 s PRO 426 CO 0.31 -0.28 1.61 0.00 0.04 0.00 0.00 177.00 178.67 1pn0 s ALA 427 N -1.15 3.76 -0.01 8.56 0.00 0.74 -4.55 121.76 129.11 1pn0 s ALA 427 Ca 0.50 1.59 0.12 0.00 0.00 0.00 0.00 51.96 54.17 1pn0 s ALA 427 Cb -0.41 -3.66 -0.21 0.00 0.00 0.00 0.00 23.12 18.85 1pn0 s ALA 427 CO 0.54 -0.99 0.86 0.87 0.00 0.00 0.00 175.76 177.04 1pn0 h LYS 428 N 4.93 0.00 -2.71 0.00 1.57 -1.91 -3.48 116.57 114.97 1pn0 h LYS 428 Ca -0.47 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.40 1pn0 h LYS 428 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1pn0 h LYS 428 CO 0.80 0.60 0.42 0.16 -0.57 0.00 0.00 179.45 180.86 1pn0 s ASP 429 N -6.23 -0.06 0.39 0.86 1.47 -1.26 -5.01 116.67 106.82 1pn0 s ASP 429 Ca -0.03 -0.77 0.28 0.00 1.18 0.00 0.00 52.55 53.21 1pn0 s ASP 429 Cb 0.09 0.64 1.22 0.00 -0.34 0.00 0.00 42.92 44.53 1pn0 s ASP 429 CO 0.82 -1.25 1.84 1.62 0.68 0.00 0.00 175.17 178.88 1pn0 h VAL 430 N 2.00 0.00 -0.00 2.11 3.04 -2.04 -1.64 116.25 119.72 1pn0 h VAL 430 Ca -0.27 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1pn0 h VAL 430 Cb 1.24 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1pn0 h VAL 430 CO 0.34 0.00 -0.39 0.00 -1.01 0.00 0.00 177.57 176.51 1pn0 n ALA 431 N -1.90 3.30 -1.90 3.17 0.00 -1.26 -4.62 120.51 117.30 1pn0 n ALA 431 Ca 0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1pn0 n ALA 431 Cb 0.23 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.33 3.97 0.26 0.00 2.03 -0.62 -4.81 116.55 116.05 1pn0 n ASP 432 Ca 0.07 -2.84 0.13 0.00 0.52 0.00 0.00 54.79 52.67 1pn0 n ASP 432 Cb 0.33 -1.63 0.69 0.00 -0.72 0.00 0.00 41.12 39.79 1pn0 n ASP 432 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1pn0 h GLU 433 N 6.72 0.00 0.00 -0.67 9.09 -1.85 -2.32 114.58 125.55 1pn0 h GLU 433 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 1pn0 h GLU 433 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 1pn0 h GLU 433 CO 1.77 0.13 -0.12 0.52 0.05 0.00 0.00 179.01 181.36 1pn0 h MET 434 N 0.00 0.00 -7.13 1.06 2.86 -1.98 -3.47 114.93 106.27 1pn0 h MET 434 Ca -0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1pn0 h MET 434 Cb 0.40 0.00 0.07 0.00 0.06 0.00 0.00 31.60 32.14 1pn0 h MET 434 CO 0.02 0.00 0.40 0.20 1.06 0.00 0.00 176.91 178.59 1pn0 s GLY 435 N -4.17 2.40 0.05 8.32 0.00 -0.88 -4.85 107.32 108.19 1pn0 s GLY 435 Ca 0.06 0.65 -0.29 0.00 0.00 0.00 0.00 44.72 45.14 1pn0 s GLY 435 CO 0.68 1.00 0.95 0.14 0.00 0.00 0.00 173.10 175.86 1pn0 s VAL 436 N -2.06 4.72 -0.02 1.40 1.01 0.12 -4.41 120.40 121.16 1pn0 s VAL 436 Ca 0.69 2.01 -0.30 0.00 0.00 0.00 0.00 61.98 64.38 1pn0 s VAL 436 Cb -0.21 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1pn0 s VAL 436 CO 0.32 0.24 1.16 -0.55 0.00 0.00 0.00 175.10 176.26 1pn0 s SER 437 N 0.52 7.11 0.38 3.32 0.15 -1.26 -0.19 113.70 123.73 1pn0 s SER 437 Ca 0.48 1.83 0.17 0.00 0.70 0.00 0.00 55.95 59.13 1pn0 s SER 437 Cb -0.22 -2.56 0.77 0.00 -1.71 0.00 0.00 66.02 62.30 1pn0 s SER 437 CO 0.28 -0.50 1.80 0.24 1.20 0.00 0.00 173.24 176.26 1pn0 h MET 438 N 7.18 0.00 -0.33 5.44 2.86 -1.95 -0.71 114.93 127.42 1pn0 h MET 438 Ca -0.37 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.18 1pn0 h MET 438 Cb 1.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1pn0 h MET 438 CO 0.84 0.36 -0.14 -0.44 1.06 0.00 0.00 176.91 178.59 1pn0 h ASP 439 N 0.00 0.70 -0.79 1.22 3.32 -2.00 -1.47 116.42 117.40 1pn0 h ASP 439 Ca -0.00 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 1pn0 h ASP 439 Cb 0.75 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1pn0 h ASP 439 CO 0.05 0.94 0.29 0.58 -1.72 0.00 0.00 179.24 179.38 1pn0 h VAL 440 N 0.45 1.26 -0.32 -1.35 2.07 -1.87 -1.82 116.25 114.68 1pn0 h VAL 440 Ca 0.08 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1pn0 h VAL 440 Cb 0.67 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1pn0 h VAL 440 CO 0.05 0.35 0.11 0.15 0.02 0.00 0.00 177.57 178.24 1pn0 h PHE 441 N 1.15 0.50 -0.18 1.57 3.57 -1.01 0.23 116.94 122.78 1pn0 h PHE 441 Ca 0.26 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1pn0 h PHE 441 Cb 0.25 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1pn0 h PHE 441 CO 0.02 0.50 0.06 -0.22 -2.23 0.00 0.00 178.31 176.44 1pn0 h LYS 442 N 0.36 0.14 -0.40 1.11 3.64 -1.12 0.39 116.57 120.69 1pn0 h LYS 442 Ca 0.10 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1pn0 h LYS 442 Cb 0.22 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1pn0 h LYS 442 CO -0.01 0.09 0.02 0.93 -2.27 0.00 0.00 179.45 178.21 1pn0 h GLU 443 N 0.14 0.63 -0.18 1.90 4.39 -1.03 -0.23 114.58 120.20 1pn0 h GLU 443 Ca 0.08 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 1pn0 h GLU 443 Cb 0.05 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1pn0 h GLU 443 CO -0.08 0.64 -0.30 0.00 -1.16 0.00 0.00 179.01 178.10 1pn0 h ALA 444 N 1.42 1.16 -0.19 3.43 0.00 -0.41 -0.78 119.26 123.89 1pn0 h ALA 444 Ca 0.13 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1pn0 h ALA 444 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pn0 h ALA 444 CO 0.01 0.54 -0.10 0.35 0.00 0.00 0.00 179.25 180.05 1pn0 h PHE 445 N 0.31 0.47 -0.06 0.00 3.04 0.20 0.23 116.94 121.13 1pn0 h PHE 445 Ca 0.04 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 1pn0 h PHE 445 Cb 0.69 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 1pn0 h PHE 445 CO 0.02 0.72 0.02 0.28 -2.02 0.00 0.00 178.31 177.33 1pn0 h VAL 446 N 0.09 1.12 -0.57 1.41 2.07 -0.84 0.80 116.25 120.33 1pn0 h VAL 446 Ca 0.04 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1pn0 h VAL 446 Cb 0.60 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1pn0 h VAL 446 CO 0.03 0.10 0.25 0.50 0.02 0.00 0.00 177.57 178.48 1pn0 h LYS 447 N -0.05 0.84 -0.76 1.57 3.64 -1.17 -2.57 116.57 118.08 1pn0 h LYS 447 Ca 0.02 -0.14 0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1pn0 h LYS 447 Cb 0.14 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1pn0 h LYS 447 CO -0.00 0.71 0.50 0.78 -2.27 0.00 0.00 179.45 179.16 1pn0 h GLY 448 N 0.78 0.99 2.00 5.01 0.00 -0.15 -1.95 103.07 109.75 1pn0 h GLY 448 Ca 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1pn0 h GLY 448 CO -0.02 0.19 -0.12 3.43 0.00 0.00 0.00 176.54 180.03 1pn0 h ASN 449 N 0.73 0.00 0.10 0.19 -0.26 -0.42 0.48 115.58 116.40 1pn0 h ASN 449 Ca 0.34 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.07 1pn0 h ASN 449 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1pn0 h ASN 449 CO -0.12 0.12 -0.05 -0.08 -1.06 0.00 0.00 177.43 176.24 1pn0 h GLU 450 N 0.00 -0.13 -0.11 0.81 4.81 -1.37 -2.65 114.58 115.94 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 0.21 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1pn0 h GLU 450 CO 0.01 0.23 0.07 0.35 -0.73 0.00 0.00 179.01 178.94 1pn0 h PHE 451 N -0.50 0.13 -0.02 0.92 3.57 -1.33 -2.93 116.94 116.78 1pn0 h PHE 451 Ca -0.01 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1pn0 h PHE 451 Cb 0.41 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1pn0 h PHE 451 CO 0.04 0.08 0.02 0.00 -2.23 0.00 0.00 178.31 176.22 1pn0 h ALA 452 N 1.04 1.79 0.00 2.41 0.00 -0.10 -0.93 119.26 123.47 1pn0 h ALA 452 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pn0 h ALA 452 Cb -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pn0 h ALA 452 CO -0.01 -0.03 -0.00 0.66 0.00 0.00 0.00 179.25 179.87 1pn0 h SER 453 N 0.00 0.00 0.00 0.00 4.64 -1.27 -3.45 113.55 113.47 1pn0 h SER 453 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1pn0 h SER 453 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 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 -1.02 0.76 0.20 -0.77 0.00 -0.35 -1.29 105.19 102.71 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 -2.14 0.00 0.80 2.61 -2.24 -1.26 -4.25 114.28 107.80 1pn0 n THR 455 Ca 0.00 -0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 1pn0 n THR 455 Cb 0.01 0.57 0.22 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.86 2.46 -1.70 6.98 0.00 -1.26 -4.68 120.51 121.45 1pn0 n ALA 456 Ca 0.09 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.33 1pn0 n ALA 456 Cb 0.36 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 1.16 1.37 -3.69 0.00 5.41 -1.26 -4.98 119.36 117.37 1pn0 n ILE 457 Ca 0.17 -0.34 -0.29 0.00 1.00 0.00 0.00 62.75 63.29 1pn0 n ILE 457 Cb 0.55 -1.65 -0.15 0.00 -0.71 0.00 0.00 39.64 37.67 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 0.12 3.61 0.26 4.38 3.84 -1.26 -4.16 114.94 121.73 1pn0 s ASN 458 Ca 0.62 -1.33 -0.30 0.00 0.21 0.00 0.00 52.86 52.06 1pn0 s ASN 458 Cb -0.58 -0.67 -0.09 0.00 -0.55 0.00 0.00 41.25 39.36 1pn0 s ASN 458 CO 0.54 -0.39 1.18 -0.31 -2.79 0.00 0.00 177.10 175.34 1pn0 s TYR 459 N 1.80 3.41 0.69 0.43 2.02 0.22 -4.95 117.35 120.97 1pn0 s TYR 459 Ca 0.07 1.53 -0.14 0.00 -0.37 0.00 0.00 57.07 58.15 1pn0 s TYR 459 Cb -0.17 -3.43 0.02 0.00 -0.40 0.00 0.00 41.96 37.98 1pn0 s TYR 459 CO -0.23 -1.09 1.12 -0.51 -1.57 0.00 0.00 175.55 173.26 1pn0 s ASP 460 N -0.42 4.84 0.29 2.29 1.01 -1.26 -4.54 116.67 118.87 1pn0 s ASP 460 Ca 0.49 2.03 -0.29 0.00 0.71 0.00 0.00 52.55 55.48 1pn0 s ASP 460 Cb -0.34 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 40.90 1pn0 s ASP 460 CO 0.42 -1.81 1.25 1.21 0.21 0.00 0.00 175.17 176.44 1pn0 n GLU 461 N -2.65 1.84 -1.30 8.23 2.13 -1.26 -4.87 120.64 122.76 1pn0 n GLU 461 Ca 0.11 0.65 -0.00 0.00 0.66 0.00 0.00 57.16 58.57 1pn0 n GLU 461 Cb 0.52 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.04 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 1.38 -0.09 0.07 4.31 0.23 -0.73 -4.97 115.26 115.45 1pn0 n ASN 462 Ca 0.09 -1.06 0.13 0.00 -0.53 0.00 0.00 54.58 53.21 1pn0 n ASN 462 Cb 0.33 0.16 0.62 0.00 -2.08 0.00 0.00 39.78 38.80 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 0.10 -3.09 -4.53 5.85 -1.95 -1.64 115.31 110.05 1pn0 h LEU 463 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1pn0 h LEU 463 Cb 0.06 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1pn0 h LEU 463 CO 0.02 0.06 0.00 1.33 -0.34 0.00 0.00 178.44 179.51 1pn0 n VAL 464 N -4.46 1.69 -3.52 1.05 0.24 -1.26 -4.83 118.33 107.24 1pn0 n VAL 464 Ca 0.05 -1.38 -0.25 0.00 -2.04 0.00 0.00 64.34 60.72 1pn0 n VAL 464 Cb 0.35 0.13 -0.14 0.00 -1.47 0.00 0.00 33.84 32.71 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 -1.89 -0.16 -0.52 3.34 2.01 -0.62 -4.76 115.64 113.05 1pn0 s THR 465 Ca 0.37 -0.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 1pn0 s THR 465 Cb 0.25 -0.87 0.14 0.00 0.01 0.00 0.00 72.50 72.03 1pn0 s THR 465 CO 0.15 -0.55 0.38 -0.62 -0.69 0.00 0.00 174.62 173.29 1pn0 s ASP 466 N 2.17 5.61 -0.10 3.53 -1.08 -0.23 -1.78 116.67 124.79 1pn0 s ASP 466 Ca 0.07 -2.21 -0.08 0.00 -0.52 0.00 0.00 52.55 49.81 1pn0 s ASP 466 Cb -0.16 -1.96 -0.27 0.00 -1.46 0.00 0.00 42.92 39.07 1pn0 s ASP 466 CO -0.28 -0.58 0.44 0.11 0.52 0.00 0.00 175.17 175.37 1pn0 h LYS 467 N 8.01 0.29 -0.83 4.34 1.57 -1.93 -3.34 116.57 124.68 1pn0 h LYS 467 Ca -0.12 -0.50 0.06 0.00 -1.87 0.00 0.00 60.65 58.22 1pn0 h LYS 467 Cb 1.04 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1pn0 h LYS 467 CO 0.79 1.24 0.55 0.87 -0.57 0.00 0.00 179.45 182.32 1pn0 h LYS 468 N 0.04 0.91 -0.00 3.15 1.57 -1.98 -1.33 116.57 118.93 1pn0 h LYS 468 Ca -0.40 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1pn0 h LYS 468 Cb 2.03 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1pn0 h LYS 468 CO 0.10 0.60 -0.17 0.43 -0.57 0.00 0.00 179.45 179.85 1pn0 n SER 469 N -4.48 0.62 -4.86 0.86 7.64 -1.26 -4.90 113.62 107.24 1pn0 n SER 469 Ca 0.12 -0.62 -0.31 0.00 1.01 0.00 0.00 58.87 59.07 1pn0 n SER 469 Cb 0.19 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.33 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 -2.52 6.64 -0.89 6.43 0.01 -0.50 -4.90 113.70 117.97 1pn0 s SER 470 Ca 0.26 1.15 -0.04 0.00 1.31 0.00 0.00 55.95 58.63 1pn0 s SER 470 Cb 0.20 -2.32 0.22 0.00 0.21 0.00 0.00 66.02 64.32 1pn0 s SER 470 CO 0.50 -0.26 0.79 -0.54 0.41 0.00 0.00 173.24 174.14 1pn0 s LYS 471 N -3.31 3.36 0.50 12.44 1.02 0.15 -4.94 119.74 128.97 1pn0 s LYS 471 Ca 0.52 -3.10 0.15 0.00 0.02 0.00 0.00 55.97 53.56 1pn0 s LYS 471 Cb -0.10 -4.07 1.20 0.00 -0.52 0.00 0.00 37.83 34.34 1pn0 s LYS 471 CO 0.24 -1.25 2.12 0.37 -0.92 0.00 0.00 175.35 175.90 1pn0 h GLN 472 N 6.41 0.03 0.00 1.68 5.75 -1.92 -1.38 115.11 125.68 1pn0 h GLN 472 Ca 0.13 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1pn0 h GLN 472 Cb 0.86 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.41 1pn0 h GLN 472 CO 0.85 0.05 0.00 -0.85 -2.65 0.00 0.00 178.83 176.23 1pn0 n GLU 473 N -4.50 0.16 0.18 1.69 0.00 -1.26 -1.75 120.64 115.16 1pn0 n GLU 473 Ca -0.03 0.57 0.13 0.00 0.00 0.00 0.00 57.16 57.83 1pn0 n GLU 473 Cb 0.12 -1.94 0.30 0.00 0.00 0.00 0.00 31.44 29.92 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 -5.90 -1.84 3.38 -1.54 -3.37 115.31 106.04 1pn0 h LEU 474 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1pn0 h LEU 474 Cb 0.12 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.56 1pn0 h LEU 474 CO 0.00 0.00 -0.85 0.00 0.09 0.00 0.00 178.44 177.68 1pn0 n ALA 475 N -1.98 1.39 0.27 1.53 0.00 -0.72 -4.18 120.51 116.82 1pn0 n ALA 475 Ca 0.04 -2.53 0.10 0.00 0.00 0.00 0.00 53.44 51.05 1pn0 n ALA 475 Cb 0.47 -0.98 0.72 0.00 0.00 0.00 0.00 19.45 19.66 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 5.16 0.00 -0.39 0.00 1.57 -1.03 -1.40 116.57 120.48 1pn0 h LYS 476 Ca 0.17 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 1pn0 h LYS 476 Cb 0.96 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.18 1pn0 h LYS 476 CO 0.29 0.04 0.02 0.09 -0.57 0.00 0.00 179.45 179.32 1pn0 n ASN 477 N -4.21 3.08 -3.21 0.86 3.02 -0.44 -4.46 115.26 109.91 1pn0 n ASN 477 Ca -0.03 -3.51 -0.25 0.00 -0.03 0.00 0.00 54.58 50.76 1pn0 n ASN 477 Cb 0.12 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 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 -2.87 3.43 0.25 0.00 1.01 -1.26 -4.92 120.40 116.03 1pn0 s VAL 479 Ca 0.42 0.88 -0.31 0.00 0.00 0.00 0.00 61.98 62.97 1pn0 s VAL 479 Cb 0.22 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.91 1pn0 s VAL 479 CO -0.08 0.01 1.51 0.52 0.00 0.00 0.00 175.10 177.07 1pn0 n VAL 480 N 4.55 0.80 0.00 2.92 0.31 -1.26 -1.22 118.33 124.43 1pn0 n VAL 480 Ca 0.14 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1pn0 n VAL 480 Cb 0.42 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 2.42 0.70 3.85 2.92 0.00 0.15 -4.81 105.19 110.43 1pn0 n GLY 481 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.21 3.71 0.43 2.61 -4.23 -0.36 -0.61 115.64 114.98 1pn0 s THR 482 Ca 0.00 -1.38 -0.25 0.00 -1.18 0.00 0.00 61.69 58.88 1pn0 s THR 482 Cb 0.00 -3.23 -0.08 0.00 1.34 0.00 0.00 72.50 70.54 1pn0 s THR 482 CO 0.00 -0.21 1.24 0.00 -0.54 0.00 0.00 174.62 175.11 1pn0 s ARG 483 N -3.96 3.88 -0.33 3.99 1.04 -1.26 -1.21 118.95 121.10 1pn0 s ARG 483 Ca 0.39 1.98 -0.29 0.00 -1.04 0.00 0.00 55.73 56.78 1pn0 s ARG 483 Cb -0.06 -2.61 -0.00 0.00 -2.04 0.00 0.00 34.95 30.23 1pn0 s ARG 483 CO 0.26 -0.51 1.43 0.12 -0.04 0.00 0.00 175.30 176.56 1pn0 s PHE 484 N -1.37 2.41 0.04 5.89 5.36 0.24 -4.73 117.98 125.82 1pn0 s PHE 484 Ca 0.60 0.72 -0.30 0.00 -0.96 0.00 0.00 56.93 56.99 1pn0 s PHE 484 Cb -0.34 -4.08 -0.04 0.00 -0.34 0.00 0.00 43.02 38.22 1pn0 s PHE 484 CO 0.43 -2.12 0.98 0.21 -1.46 0.00 0.00 175.22 173.25 1pn0 s LYS 485 N 4.64 4.60 0.45 10.12 2.20 -1.26 -4.97 119.74 135.52 1pn0 s LYS 485 Ca 0.62 1.44 -0.25 0.00 -0.36 0.00 0.00 55.97 57.43 1pn0 s LYS 485 Cb -0.17 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.64 1pn0 s LYS 485 CO 0.28 0.02 1.37 0.45 -0.36 0.00 0.00 175.35 177.12 1pn0 s SER 486 N 0.70 5.91 0.03 1.43 0.15 -1.26 -4.89 113.70 115.77 1pn0 s SER 486 Ca 0.51 2.80 0.01 0.00 0.70 0.00 0.00 55.95 59.96 1pn0 s SER 486 Cb -0.22 -2.64 -0.02 0.00 -1.71 0.00 0.00 66.02 61.42 1pn0 s SER 486 CO 0.29 -1.14 -0.05 -1.10 1.20 0.00 0.00 173.24 172.43 1pn0 s GLN 487 N -2.48 0.44 0.42 5.44 -1.52 -1.26 -4.91 119.66 115.79 1pn0 s GLN 487 Ca 0.62 -0.73 -0.26 0.00 -1.95 0.00 0.00 55.36 53.04 1pn0 s GLN 487 Cb -0.41 -0.07 -0.09 0.00 -0.22 0.00 0.00 33.01 32.22 1pn0 s GLN 487 CO 0.52 -0.01 1.35 -2.14 -0.25 0.00 0.00 175.29 174.77 1pn0 s PRO 488 N -1.72 3.88 0.21 2.91 0.02 -1.26 -1.42 135.00 137.61 1pn0 s PRO 488 Ca -0.11 2.27 -0.02 0.00 0.02 0.00 0.00 61.00 63.16 1pn0 s PRO 488 Cb -0.09 -2.73 -0.04 0.00 0.02 0.00 0.00 34.50 31.66 1pn0 s PRO 488 CO -0.01 -0.61 0.16 0.14 -0.33 0.00 0.00 177.00 176.36 1pn0 s VAL 489 N -1.23 0.00 -0.25 3.83 -7.23 0.06 -4.69 120.40 110.88 1pn0 s VAL 489 Ca 0.58 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.76 1pn0 s VAL 489 Cb -0.40 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.07 1pn0 s VAL 489 CO 0.52 0.00 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.61 1pn0 s VAL 490 N -4.11 3.36 0.10 1.32 1.01 0.44 -1.17 120.40 121.34 1pn0 s VAL 490 Ca 0.38 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 1pn0 s VAL 490 Cb 0.06 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 1pn0 s VAL 490 CO 0.12 0.24 1.53 -0.60 0.00 0.00 0.00 175.10 176.39 1pn0 s ARG 491 N 1.43 4.25 0.21 2.72 3.52 0.25 -0.43 118.95 130.90 1pn0 s ARG 491 Ca 0.03 2.23 -0.05 0.00 -0.13 0.00 0.00 55.73 57.80 1pn0 s ARG 491 Cb -0.16 -3.37 0.18 0.00 -1.56 0.00 0.00 34.95 30.04 1pn0 s ARG 491 CO -0.02 -0.60 1.67 1.25 -0.81 0.00 0.00 175.30 176.79 1pn0 h HIS 492 N 7.41 0.98 -0.47 5.12 -0.00 -1.59 0.16 115.15 126.76 1pn0 h HIS 492 Ca -0.42 -0.18 0.09 0.00 -0.00 0.00 0.00 60.37 59.86 1pn0 h HIS 492 Cb 1.20 -0.25 -0.07 0.00 -0.00 0.00 0.00 27.41 28.28 1pn0 h HIS 492 CO 0.71 0.93 0.02 0.66 -0.00 0.00 0.00 177.93 180.25 1pn0 h SER 493 N 0.81 -0.15 0.00 3.26 4.64 -1.83 -3.28 113.55 117.00 1pn0 h SER 493 Ca 0.14 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1pn0 h SER 493 Cb 0.59 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1pn0 h SER 493 CO 0.04 -0.04 0.00 -1.84 -0.87 0.00 0.00 176.83 174.12 1pn0 n GLU 494 N -5.19 1.62 -1.37 4.77 0.00 -1.23 -5.02 120.64 114.21 1pn0 n GLU 494 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 57.16 56.97 1pn0 n GLU 494 Cb 0.25 -0.70 0.00 0.00 0.00 0.00 0.00 31.44 30.99 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 0.30 0.59 3.67 -1.84 0.00 0.55 -5.03 105.19 103.43 1pn0 n GLY 495 Ca 0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 4.22 0.07 0.99 2.96 -1.18 -4.72 118.68 121.02 1pn0 s LEU 496 Ca 0.00 1.74 -0.30 0.00 -0.22 0.00 0.00 54.13 55.35 1pn0 s LEU 496 Cb 0.00 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1pn0 s LEU 496 CO 0.00 -0.68 1.15 0.86 -1.32 0.00 0.00 176.35 176.36 1pn0 s TRP 497 N 2.93 3.49 0.12 5.38 -0.00 -1.26 -0.58 118.94 129.02 1pn0 s TRP 497 Ca 0.55 1.41 -0.21 0.00 -0.00 0.00 0.00 56.10 57.84 1pn0 s TRP 497 Cb -0.23 -3.35 0.06 0.00 -0.00 0.00 0.00 33.47 29.95 1pn0 s TRP 497 CO 0.18 -0.98 0.54 0.00 -0.00 0.00 0.00 176.95 176.68 1pn0 s MET 498 N 0.84 1.17 -0.14 5.86 0.23 -0.32 -4.97 119.30 121.98 1pn0 s MET 498 Ca 0.56 -0.46 -0.29 0.00 -1.03 0.00 0.00 55.69 54.47 1pn0 s MET 498 Cb -0.28 0.53 -0.02 0.00 -1.53 0.00 0.00 34.83 33.54 1pn0 s MET 498 CO 0.30 -0.48 1.22 -1.01 -2.03 0.00 0.00 175.02 173.02 1pn0 s HIS 499 N -3.42 3.01 0.47 3.16 3.76 -1.26 -0.76 115.29 120.24 1pn0 s HIS 499 Ca -0.00 1.13 0.13 0.00 -0.15 0.00 0.00 55.06 56.17 1pn0 s HIS 499 Cb -0.00 -3.45 1.11 0.00 1.11 0.00 0.00 32.58 31.35 1pn0 s HIS 499 CO -0.10 -1.44 2.09 0.35 -0.85 0.00 0.00 174.74 174.79 1pn0 h PHE 500 N 7.89 0.23 -0.29 1.40 3.57 -1.57 -1.58 116.94 126.59 1pn0 h PHE 500 Ca -0.28 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.31 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 0.77 0.14 0.27 0.78 -2.23 0.00 0.00 178.31 178.04 1pn0 h GLY 501 N 0.24 0.00 2.00 2.40 0.00 -1.90 -0.46 103.07 105.35 1pn0 h GLY 501 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1pn0 h GLY 501 CO -0.02 0.00 -0.07 -0.55 0.00 0.00 0.00 176.54 175.90 1pn0 h ASP 502 N 0.00 0.00 1.58 0.19 5.19 -1.69 -1.88 116.42 119.81 1pn0 h ASP 502 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1pn0 h ASP 502 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1pn0 h ASP 502 CO -0.00 0.07 0.00 -0.09 -3.12 0.00 0.00 179.24 176.10 1pn0 h ARG 503 N 0.00 0.00 -2.46 3.56 9.65 -1.24 -3.38 114.38 120.52 1pn0 h ARG 503 Ca -0.00 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.27 1pn0 h ARG 503 Cb 0.21 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.68 1pn0 h ARG 503 CO 0.01 0.00 1.85 1.28 2.80 0.00 0.00 179.97 185.91 1pn0 n LEU 504 N -2.62 7.47 -4.71 3.80 4.77 -0.71 -4.96 117.00 120.05 1pn0 n LEU 504 Ca 0.04 -4.40 -0.42 0.00 -0.03 0.00 0.00 56.01 51.20 1pn0 n LEU 504 Cb 0.44 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1pn0 n LEU 504 CO 0.31 1.94 1.39 0.52 -1.33 0.00 0.00 177.39 180.22 1pn0 n VAL 505 N 1.93 0.08 -2.77 4.08 0.31 -1.26 -4.79 118.33 115.91 1pn0 n VAL 505 Ca 0.60 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 64.49 1pn0 n VAL 505 Cb 0.40 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.29 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 1.52 4.51 0.00 2.52 2.01 0.48 -4.76 115.64 121.92 1pn0 s THR 506 Ca 0.77 1.17 0.00 0.00 0.31 0.00 0.00 61.69 63.93 1pn0 s THR 506 Cb -0.51 -4.39 0.00 0.00 0.01 0.00 0.00 72.50 67.61 1pn0 s THR 506 CO 0.34 -0.64 0.60 -0.90 -0.69 0.00 0.00 174.62 173.32 1pn0 n ASP 507 N 6.98 0.00 0.00 3.53 5.68 -1.26 -4.79 116.55 126.69 1pn0 n ASP 507 Ca 0.08 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 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 0.83 3.77 6.12 0.00 -1.26 -4.96 105.19 109.69 1pn0 n GLY 508 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.93 4.64 0.59 1.61 0.52 -1.26 -4.78 118.95 119.35 1pn0 s ARG 509 Ca 0.00 1.25 -0.09 0.00 -0.52 0.00 0.00 55.73 56.36 1pn0 s ARG 509 Cb 0.00 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 1pn0 s ARG 509 CO 0.00 0.55 0.97 -0.06 0.02 0.00 0.00 175.30 176.79 1pn0 s PHE 510 N -1.17 3.57 0.07 -0.53 0.40 -1.09 -3.56 117.98 115.67 1pn0 s PHE 510 Ca 0.37 1.13 0.10 0.00 -0.60 0.00 0.00 56.93 57.93 1pn0 s PHE 510 Cb -0.24 -2.65 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 1pn0 s PHE 510 CO 0.28 -0.64 -0.26 1.03 0.70 0.00 0.00 175.22 176.32 1pn0 s ARG 511 N -5.08 1.63 -0.28 0.44 3.00 0.31 -0.99 118.95 117.97 1pn0 s ARG 511 Ca 0.53 -1.18 -0.04 0.00 0.00 0.00 0.00 55.73 55.05 1pn0 s ARG 511 Cb -0.11 -1.91 0.03 0.00 0.00 0.00 0.00 34.95 32.96 1pn0 s ARG 511 CO 0.51 0.48 0.02 0.42 0.00 0.00 0.00 175.30 176.73 1pn0 s ILE 512 N -0.90 3.37 -0.34 1.52 1.01 -0.56 -0.81 121.20 124.51 1pn0 s ILE 512 Ca 0.12 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 1pn0 s ILE 512 Cb -0.10 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1pn0 s ILE 512 CO 0.03 0.06 0.47 -0.63 0.00 0.00 0.00 174.94 174.87 1pn0 s ILE 513 N 1.38 5.07 -0.54 2.92 -1.09 0.10 -1.18 121.20 127.85 1pn0 s ILE 513 Ca -0.00 0.31 -0.19 0.00 -2.23 0.00 0.00 60.65 58.54 1pn0 s ILE 513 Cb -0.18 -3.90 0.08 0.00 -1.58 0.00 0.00 42.46 36.88 1pn0 s ILE 513 CO -0.01 -0.14 0.66 -0.69 -1.23 0.00 0.00 174.94 173.53 1pn0 s VAL 514 N 2.27 4.85 -0.87 2.92 1.01 0.96 -1.04 120.40 130.49 1pn0 s VAL 514 Ca 0.17 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1pn0 s VAL 514 Cb -0.16 -4.38 0.05 0.00 0.00 0.00 0.00 36.38 31.89 1pn0 s VAL 514 CO 0.12 -0.94 1.31 -0.36 0.00 0.00 0.00 175.10 175.23 1pn0 s PHE 515 N 2.65 2.51 -0.77 5.22 0.08 0.45 -1.17 117.98 126.96 1pn0 s PHE 515 Ca 0.13 -0.58 0.22 0.00 0.12 0.00 0.00 56.93 56.82 1pn0 s PHE 515 Cb -0.21 -4.59 0.87 0.00 -0.57 0.00 0.00 43.02 38.51 1pn0 s PHE 515 CO 0.09 -1.92 1.67 0.00 -0.10 0.00 0.00 175.22 174.96 1pn0 n ALA 516 N 8.72 1.85 -0.75 5.36 0.00 -0.63 -1.92 120.51 133.14 1pn0 n ALA 516 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1pn0 n ALA 516 Cb 0.50 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 0.41 1.42 3.32 0.00 0.00 -1.26 -4.12 105.19 104.95 1pn0 n GLY 517 Ca 0.04 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 6.09 3.18 0.25 1.61 4.81 -0.51 -1.50 118.16 132.07 1pn0 n LYS 518 Ca 0.00 -3.23 0.17 0.00 -0.87 0.00 0.00 58.31 54.38 1pn0 n LYS 518 Cb 0.00 -3.34 0.87 0.00 0.02 0.00 0.00 35.03 32.58 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 7.02 1.00 0.00 3.14 0.00 -1.88 -1.06 119.26 127.49 1pn0 h ALA 519 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1pn0 h ALA 519 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pn0 h ALA 519 CO 1.54 0.00 0.00 1.79 0.00 0.00 0.00 179.25 182.58 1pn0 h THR 520 N 0.00 0.00 -3.31 0.00 1.35 -1.93 -3.39 112.91 105.63 1pn0 h THR 520 Ca 0.00 -0.48 -0.55 0.00 -0.55 0.00 0.00 66.41 64.83 1pn0 h THR 520 Cb 0.05 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1pn0 h THR 520 CO 0.00 0.00 0.48 -0.62 -0.25 0.00 0.00 175.52 175.13 1pn0 s ASP 521 N -4.85 7.27 0.21 5.36 2.15 -0.40 -4.96 116.67 121.45 1pn0 s ASP 521 Ca 0.07 1.69 -0.10 0.00 0.43 0.00 0.00 52.55 54.64 1pn0 s ASP 521 Cb 0.10 -2.57 0.18 0.00 -0.30 0.00 0.00 42.92 40.34 1pn0 s ASP 521 CO 0.54 -0.37 1.86 0.00 -0.17 0.00 0.00 175.17 177.03 1pn0 h ALA 522 N 6.94 0.95 -0.62 3.66 0.00 -1.87 0.48 119.26 128.81 1pn0 h ALA 522 Ca -0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1pn0 h ALA 522 Cb 1.19 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1pn0 h ALA 522 CO 0.80 0.29 0.32 1.15 0.00 0.00 0.00 179.25 181.82 1pn0 h THR 523 N 0.94 1.20 -0.50 0.00 2.02 -1.94 -1.39 112.91 113.24 1pn0 h THR 523 Ca 0.29 -0.54 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 1pn0 h THR 523 Cb -0.03 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1pn0 h THR 523 CO -0.09 0.23 -0.16 -0.61 0.37 0.00 0.00 175.52 175.26 1pn0 h GLN 524 N 0.84 0.99 -0.19 6.66 5.75 -1.70 -2.77 115.11 124.70 1pn0 h GLN 524 Ca 0.22 -0.40 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 1pn0 h GLN 524 Cb 0.07 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1pn0 h GLN 524 CO -0.03 1.08 -0.11 1.98 -2.65 0.00 0.00 178.83 179.10 1pn0 h MET 525 N 0.85 0.30 -0.75 1.69 4.05 -0.73 -1.10 114.93 119.24 1pn0 h MET 525 Ca 0.12 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1pn0 h MET 525 Cb 0.73 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.46 1pn0 h MET 525 CO 0.06 0.42 0.36 0.77 0.23 0.00 0.00 176.91 178.75 1pn0 h SER 526 N 0.29 0.97 -0.47 1.39 0.02 -0.99 0.19 113.55 114.95 1pn0 h SER 526 Ca 0.06 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 1pn0 h SER 526 Cb 0.37 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1pn0 h SER 526 CO 0.02 0.82 -0.20 0.03 -1.14 0.00 0.00 176.83 176.36 1pn0 h ARG 527 N 1.07 0.98 -0.33 3.45 3.08 -1.05 -1.92 114.38 119.66 1pn0 h ARG 527 Ca 0.26 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1pn0 h ARG 527 Cb 0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1pn0 h ARG 527 CO -0.03 1.08 0.17 0.82 -1.07 0.00 0.00 179.97 180.94 1pn0 h ILE 528 N 0.85 1.15 -0.69 2.04 2.04 -0.65 -1.45 117.51 120.81 1pn0 h ILE 528 Ca 0.11 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1pn0 h ILE 528 Cb 0.77 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1pn0 h ILE 528 CO 0.06 0.16 0.35 0.11 0.00 0.00 0.00 178.15 178.83 1pn0 h LYS 529 N 0.40 0.96 -0.60 2.37 1.57 -0.57 -0.88 116.57 119.83 1pn0 h LYS 529 Ca 0.11 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1pn0 h LYS 529 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1pn0 h LYS 529 CO -0.02 0.73 0.01 -0.22 -0.57 0.00 0.00 179.45 179.39 1pn0 h LYS 530 N 0.97 1.05 -0.58 3.15 3.64 -1.02 0.06 116.57 123.84 1pn0 h LYS 530 Ca 0.24 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1pn0 h LYS 530 Cb 0.07 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1pn0 h LYS 530 CO -0.04 1.03 0.12 0.35 -2.27 0.00 0.00 179.45 178.64 1pn0 h PHE 531 N 0.95 0.98 -0.44 1.91 3.57 -0.81 -1.39 116.94 121.72 1pn0 h PHE 531 Ca 0.17 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1pn0 h PHE 531 Cb 0.54 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1pn0 h PHE 531 CO 0.04 0.85 0.03 0.00 -2.23 0.00 0.00 178.31 177.00 1pn0 h ALA 532 N 1.02 1.24 -0.82 2.41 0.00 -0.86 -0.44 119.26 121.80 1pn0 h ALA 532 Ca 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1pn0 h ALA 532 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1pn0 h ALA 532 CO 0.01 0.51 0.40 0.00 0.00 0.00 0.00 179.25 180.17 1pn0 h ALA 533 N 1.38 1.06 0.06 0.00 0.00 -0.48 -0.17 119.26 121.11 1pn0 h ALA 533 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pn0 h ALA 533 Cb 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pn0 h ALA 533 CO 0.01 0.62 -0.06 -0.92 0.00 0.00 0.00 179.25 178.90 1pn0 h TYR 534 N 1.17 -0.16 -0.93 0.00 3.20 -0.37 -1.41 116.97 118.48 1pn0 h TYR 534 Ca 0.28 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.29 1pn0 h TYR 534 Cb 0.12 0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.36 1pn0 h TYR 534 CO 0.01 -0.10 0.55 -0.07 -1.64 0.00 0.00 178.16 176.91 1pn0 h LEU 535 N -0.14 0.75 -0.13 2.82 3.38 -0.33 -0.67 115.31 121.00 1pn0 h LEU 535 Ca 0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pn0 h LEU 535 Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1pn0 h LEU 535 CO -0.02 0.37 0.00 0.47 0.09 0.00 0.00 178.44 179.35 1pn0 n ASP 536 N -4.73 0.73 -4.75 -0.43 8.00 -0.15 -4.36 116.55 110.87 1pn0 n ASP 536 Ca 0.18 0.59 -0.34 0.00 0.71 0.00 0.00 54.79 55.93 1pn0 n ASP 536 Cb 0.39 -0.78 0.06 0.00 -0.02 0.00 0.00 41.12 40.78 1pn0 n ASP 536 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1pn0 s SER 537 N -4.37 4.78 0.31 -2.24 1.04 -0.26 -1.23 113.70 111.73 1pn0 s SER 537 Ca 0.10 2.20 0.07 0.00 0.48 0.00 0.00 55.95 58.80 1pn0 s SER 537 Cb 0.12 -2.57 0.79 0.00 0.10 0.00 0.00 66.02 64.46 1pn0 s SER 537 CO 0.55 -1.86 1.77 -0.08 0.98 0.00 0.00 173.24 174.60 1pn0 h GLU 538 N 0.06 0.69 -0.38 4.02 4.57 -1.87 -2.60 114.58 119.07 1pn0 h GLU 538 Ca -0.48 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1pn0 h GLU 538 Cb 1.27 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1pn0 h GLU 538 CO 0.52 0.46 0.00 0.09 -1.18 0.00 0.00 179.01 178.90 1pn0 n ASN 539 N -4.77 4.33 -4.71 1.04 3.02 -1.26 -4.25 115.26 108.67 1pn0 n ASN 539 Ca 0.24 -2.87 -0.29 0.00 -0.03 0.00 0.00 54.58 51.63 1pn0 n ASN 539 Cb 0.62 -0.56 0.15 0.00 -0.61 0.00 0.00 39.78 39.38 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 -1.49 3.18 0.46 6.41 1.04 -0.98 -4.74 113.70 117.57 1pn0 s SER 540 Ca 0.44 1.34 0.18 0.00 0.48 0.00 0.00 55.95 58.39 1pn0 s SER 540 Cb 0.34 -2.02 1.09 0.00 0.10 0.00 0.00 66.02 65.54 1pn0 s SER 540 CO 0.12 -2.80 1.99 -0.37 0.98 0.00 0.00 173.24 173.16 1pn0 h VAL 541 N -1.67 0.99 -0.15 5.02 -1.51 -1.89 -0.43 116.25 116.61 1pn0 h VAL 541 Ca -0.51 -0.68 -0.06 0.00 -1.23 0.00 0.00 66.70 64.22 1pn0 h VAL 541 Cb 1.30 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1pn0 h VAL 541 CO 0.56 0.19 -0.13 0.40 -1.23 0.00 0.00 177.57 177.35 1pn0 h ILE 542 N 0.00 1.34 -0.03 7.19 1.08 -1.91 -2.07 117.51 123.11 1pn0 h ILE 542 Ca -0.00 -1.27 -0.12 0.00 -0.39 0.00 0.00 64.86 63.07 1pn0 h ILE 542 Cb 0.37 1.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 1pn0 h ILE 542 CO 0.02 0.38 -0.54 0.28 -0.69 0.00 0.00 178.15 177.60 1pn0 h SER 543 N -0.01 0.10 0.40 1.72 0.02 -1.68 -2.27 113.55 111.84 1pn0 h SER 543 Ca 0.03 -0.05 -0.31 0.00 -0.84 0.00 0.00 61.79 60.61 1pn0 h SER 543 Cb 0.66 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1pn0 h SER 543 CO 0.03 0.62 -1.61 -0.09 -1.14 0.00 0.00 176.83 174.64 1pn0 h ARG 544 N 0.07 0.24 -0.02 3.45 2.43 -1.13 -1.63 114.38 117.79 1pn0 h ARG 544 Ca -0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1pn0 h ARG 544 Cb 0.98 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1pn0 h ARG 544 CO 0.08 1.08 -0.09 0.66 -1.51 0.00 0.00 179.97 180.18 1pn0 n TYR 545 N -3.43 0.00 -3.28 2.20 4.01 -0.78 -4.19 117.16 111.70 1pn0 n TYR 545 Ca -0.19 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.16 1pn0 n TYR 545 Cb 1.05 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 40.00 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 -1.52 5.12 0.56 -0.72 2.01 -0.85 -4.78 115.64 115.45 1pn0 s THR 546 Ca 0.18 0.87 -0.21 0.00 0.31 0.00 0.00 61.69 62.83 1pn0 s THR 546 Cb 0.14 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1pn0 s THR 546 CO 0.26 0.17 1.34 -2.84 -0.69 0.00 0.00 174.62 172.86 1pn0 s PRO 547 N 1.74 3.09 0.23 4.92 0.02 -1.26 -0.11 135.00 143.62 1pn0 s PRO 547 Ca 0.22 2.18 -0.31 0.00 0.02 0.00 0.00 61.00 63.11 1pn0 s PRO 547 Cb -0.15 -2.21 -0.14 0.00 0.02 0.00 0.00 34.50 32.02 1pn0 s PRO 547 CO 0.09 -1.21 1.23 1.17 -0.33 0.00 0.00 177.00 177.96 1pn0 n LYS 548 N -1.12 1.57 0.00 5.54 4.81 -0.27 -1.39 118.16 127.30 1pn0 n LYS 548 Ca 0.11 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1pn0 n LYS 548 Cb 0.46 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.41 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 1.87 2.63 3.90 3.14 0.00 -1.26 -4.91 105.19 110.57 1pn0 n GLY 549 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.12 3.48 0.25 4.61 0.00 -0.48 -5.03 121.76 122.47 1pn0 s ALA 550 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 1pn0 s ALA 550 Cb 0.00 -2.50 -0.11 0.00 0.00 0.00 0.00 23.12 20.51 1pn0 s ALA 550 CO 0.00 0.01 1.56 0.34 0.00 0.00 0.00 175.76 177.67 1pn0 s ASP 551 N -3.40 6.49 0.00 0.00 -1.08 -1.26 -4.88 116.67 112.54 1pn0 s ASP 551 Ca 0.47 2.80 0.19 0.00 -0.52 0.00 0.00 52.55 55.49 1pn0 s ASP 551 Cb -0.10 -2.62 1.08 0.00 -1.46 0.00 0.00 42.92 39.81 1pn0 s ASP 551 CO 0.34 -0.85 1.52 0.54 0.52 0.00 0.00 175.17 177.24 1pn0 n ARG 552 N 2.74 0.52 -0.21 4.34 1.74 -1.26 -1.02 116.66 123.52 1pn0 n ARG 552 Ca 0.10 0.02 0.06 0.00 -0.77 0.00 0.00 57.85 57.26 1pn0 n ARG 552 Cb 0.38 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.48 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 -1.06 2.98 -0.07 0.55 3.02 -1.26 -4.63 115.26 114.80 1pn0 n ASN 553 Ca 0.13 -2.34 0.13 0.00 -0.03 0.00 0.00 54.58 52.48 1pn0 n ASN 553 Cb 0.08 -0.29 0.47 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.05 0.43 0.00 6.41 3.41 -0.19 -4.02 113.62 119.62 1pn0 n SER 554 Ca 0.12 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1pn0 n SER 554 Cb 0.53 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.22 0.00 -4.08 4.33 5.12 -1.26 -4.82 116.66 114.73 1pn0 n ARG 555 Ca 0.10 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.71 1pn0 n ARG 555 Cb 0.32 -0.57 -0.16 0.00 -1.16 0.00 0.00 32.46 30.89 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 -1.97 1.66 -0.41 0.55 1.01 -1.26 -2.65 121.20 118.12 1pn0 s ILE 556 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 1pn0 s ILE 556 Cb 0.00 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1pn0 s ILE 556 CO 0.00 0.47 0.31 -0.62 0.00 0.00 0.00 174.94 175.11 1pn0 s ASP 557 N 1.41 6.12 -0.38 3.58 2.15 -0.16 -4.18 116.67 125.20 1pn0 s ASP 557 Ca 0.04 -0.88 -0.14 0.00 0.43 0.00 0.00 52.55 52.00 1pn0 s ASP 557 Cb -0.13 -2.17 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 1pn0 s ASP 557 CO -0.10 -0.46 0.26 -0.69 -0.17 0.00 0.00 175.17 174.01 1pn0 s VAL 558 N 1.72 5.12 -0.04 1.11 1.01 -1.26 -1.49 120.40 126.57 1pn0 s VAL 558 Ca 0.06 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1pn0 s VAL 558 Cb -0.19 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1pn0 s VAL 558 CO 0.10 -0.21 -0.24 -0.63 0.00 0.00 0.00 175.10 174.12 1pn0 s ILE 559 N 1.67 2.19 -0.14 2.22 1.01 -0.33 -4.94 121.20 122.87 1pn0 s ILE 559 Ca 0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1pn0 s ILE 559 Cb -0.19 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1pn0 s ILE 559 CO 0.09 0.58 -0.11 -0.89 0.00 0.00 0.00 174.94 174.61 1pn0 s THR 560 N -0.44 3.22 -0.20 2.92 2.01 0.51 -0.03 115.64 123.62 1pn0 s THR 560 Ca 0.05 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1pn0 s THR 560 Cb -0.12 -2.37 0.05 0.00 0.01 0.00 0.00 72.50 70.07 1pn0 s THR 560 CO 0.01 0.51 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.75 1pn0 s ILE 561 N 0.46 1.42 0.43 1.82 1.01 -0.31 -0.79 121.20 125.23 1pn0 s ILE 561 Ca -0.08 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.70 1pn0 s ILE 561 Cb -0.15 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 1pn0 s ILE 561 CO 0.04 0.07 0.48 -1.38 0.00 0.00 0.00 174.94 174.14 1pn0 s HIS 562 N 1.48 2.62 -0.33 3.97 -3.43 -0.09 -1.60 115.29 117.91 1pn0 s HIS 562 Ca -0.02 -0.49 0.16 0.00 -0.80 0.00 0.00 55.06 53.91 1pn0 s HIS 562 Cb -0.17 -2.24 0.60 0.00 -1.43 0.00 0.00 32.58 29.34 1pn0 s HIS 562 CO -0.07 -0.31 1.51 -1.13 -2.00 0.00 0.00 174.74 172.73 1pn0 n SER 563 N -1.71 4.36 -4.98 7.38 3.41 -0.56 -0.74 113.62 120.77 1pn0 n SER 563 Ca 0.06 -2.87 -0.20 0.00 -0.26 0.00 0.00 58.87 55.59 1pn0 n SER 563 Cb 0.61 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.09 3.76 -0.78 0.00 2.46 -1.26 -4.37 115.29 113.02 1pn0 s HIS 565 Ca 0.40 1.82 0.15 0.00 0.47 0.00 0.00 55.06 57.89 1pn0 s HIS 565 Cb -0.09 -2.96 0.66 0.00 -0.13 0.00 0.00 32.58 30.06 1pn0 s HIS 565 CO 0.30 0.23 1.47 2.89 -2.47 0.00 0.00 174.74 177.16 1pn0 n ARG 566 N 0.84 0.07 0.11 2.88 1.85 -1.26 -0.89 116.66 120.25 1pn0 n ARG 566 Ca 0.01 0.38 0.13 0.00 -1.00 0.00 0.00 57.85 57.37 1pn0 n ARG 566 Cb 0.49 -1.65 0.43 0.00 -1.05 0.00 0.00 32.46 30.68 1pn0 n ARG 566 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1pn0 n ASP 567 N -1.78 0.75 -0.23 2.89 8.00 -1.26 -3.95 116.55 120.97 1pn0 n ASP 567 Ca 0.02 0.59 0.08 0.00 0.71 0.00 0.00 54.79 56.20 1pn0 n ASP 567 Cb 0.14 -0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 40.41 1pn0 n ASP 567 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1pn0 n ASP 568 N -2.23 1.34 -3.53 -2.24 8.00 -0.07 -4.98 116.55 112.84 1pn0 n ASP 568 Ca 0.05 -1.17 -0.16 0.00 0.71 0.00 0.00 54.79 54.22 1pn0 n ASP 568 Cb 0.38 0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 42.13 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 -2.30 0.01 0.22 0.53 2.07 -1.23 -4.96 121.20 115.53 1pn0 s ILE 569 Ca 0.11 -0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.36 1pn0 s ILE 569 Cb 0.14 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 1pn0 s ILE 569 CO 0.56 -0.03 0.11 -1.61 -1.91 0.00 0.00 174.94 172.05 1pn0 s GLU 570 N -1.72 2.70 0.26 3.50 0.41 -1.26 -4.71 118.70 117.88 1pn0 s GLU 570 Ca -0.09 -1.09 -0.03 0.00 -0.41 0.00 0.00 54.97 53.35 1pn0 s GLU 570 Cb -0.01 -2.47 0.40 0.00 -1.78 0.00 0.00 34.13 30.28 1pn0 s GLU 570 CO 0.05 0.42 1.85 0.52 -0.49 0.00 0.00 175.26 177.61 1pn0 h MET 571 N 2.01 0.98 0.00 1.61 2.86 -1.95 -0.66 114.93 119.78 1pn0 h MET 571 Ca -0.47 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1pn0 h MET 571 Cb 1.23 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1pn0 h MET 571 CO 0.61 0.65 0.00 -2.39 1.06 0.00 0.00 176.91 176.84 1pn0 n HIS 572 N -4.60 0.00 0.78 -0.22 1.44 -1.26 -1.66 115.22 109.70 1pn0 n HIS 572 Ca 0.15 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.99 1pn0 n HIS 572 Cb 0.22 -0.23 0.47 0.00 0.12 0.00 0.00 29.99 30.57 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 -1.23 0.48 -4.89 4.39 8.00 -0.25 -4.83 116.55 118.21 1pn0 n ASP 573 Ca 0.07 0.49 -0.30 0.00 0.71 0.00 0.00 54.79 55.76 1pn0 n ASP 573 Cb 0.10 -0.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.58 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 -3.06 3.46 0.05 1.24 0.40 -0.67 -5.02 117.98 114.39 1pn0 s PHE 574 Ca 0.12 0.73 -0.37 0.00 -0.60 0.00 0.00 56.93 56.81 1pn0 s PHE 574 Cb 0.15 -2.17 -0.16 0.00 0.51 0.00 0.00 43.02 41.35 1pn0 s PHE 574 CO 0.58 0.20 1.42 -2.30 0.70 0.00 0.00 175.22 175.82 1pn0 n PRO 575 N -0.65 1.28 -4.50 0.24 -0.02 -1.26 -4.70 135.00 125.39 1pn0 n PRO 575 Ca -0.01 0.46 -0.23 0.00 -2.02 0.00 0.00 63.50 61.71 1pn0 n PRO 575 Cb 0.53 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.92 1.08 -1.95 3.55 0.00 -1.26 -1.14 121.76 122.96 1pn0 s ALA 576 Ca 0.85 -0.38 0.15 0.00 0.00 0.00 0.00 51.96 52.58 1pn0 s ALA 576 Cb -0.93 -0.45 0.44 0.00 0.00 0.00 0.00 23.12 22.18 1pn0 s ALA 576 CO 0.48 0.14 1.36 -0.35 0.00 0.00 0.00 175.76 177.39 1pn0 n PRO 577 N 3.54 2.19 -0.11 0.00 -0.04 -1.26 -4.30 135.00 135.02 1pn0 n PRO 577 Ca -0.21 -1.78 -0.06 0.00 -0.04 0.00 0.00 63.50 61.41 1pn0 n PRO 577 Cb 0.53 -1.40 0.02 0.00 -0.04 0.00 0.00 33.50 32.60 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 3.88 0.43 0.00 0.55 0.00 -1.93 -3.23 119.26 118.97 1pn0 h ALA 578 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pn0 h ALA 578 Cb 0.69 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1pn0 h ALA 578 CO 0.01 -0.27 -1.45 1.28 0.00 0.00 0.00 179.25 178.82 1pn0 n LEU 579 N -5.03 0.00 -3.85 0.00 4.77 -0.29 -4.81 117.00 107.80 1pn0 n LEU 579 Ca 0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 1pn0 n LEU 579 Cb 0.14 0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.12 1pn0 n LEU 579 CO 0.27 0.02 -0.15 -2.28 -1.33 0.00 0.00 177.39 173.92 1pn0 s HIS 580 N -2.63 2.95 0.69 -1.77 2.46 -0.39 -4.66 115.29 111.93 1pn0 s HIS 580 Ca -0.04 -3.03 -0.16 0.00 0.47 0.00 0.00 55.06 52.30 1pn0 s HIS 580 Cb 0.06 -2.46 0.02 0.00 -0.13 0.00 0.00 32.58 30.06 1pn0 s HIS 580 CO 0.40 -0.68 1.17 -2.14 -2.47 0.00 0.00 174.74 171.02 1pn0 s PRO 581 N -0.58 2.48 -0.06 2.88 0.02 -1.22 -4.19 135.00 134.32 1pn0 s PRO 581 Ca 0.21 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.58 1pn0 s PRO 581 Cb -0.15 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 1pn0 s PRO 581 CO -0.08 -1.55 2.03 0.21 -0.33 0.00 0.00 177.00 177.28 1pn0 s LYS 582 N -3.88 3.80 -1.47 5.54 2.20 -1.26 -2.28 119.74 122.39 1pn0 s LYS 582 Ca 0.72 2.37 -0.02 0.00 -0.36 0.00 0.00 55.97 58.69 1pn0 s LYS 582 Cb -0.26 -4.22 0.01 0.00 -1.51 0.00 0.00 37.83 31.84 1pn0 s LYS 582 CO 0.42 -1.34 0.14 0.91 -0.36 0.00 0.00 175.35 175.13 1pn0 n TRP 583 N 8.91 -1.37 -4.64 4.03 8.01 -1.26 -4.98 117.44 126.14 1pn0 n TRP 583 Ca 0.23 0.13 -0.24 0.00 -1.31 0.00 0.00 57.50 56.30 1pn0 n TRP 583 Cb 0.43 -3.60 -0.14 0.00 -2.01 0.00 0.00 31.31 25.99 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 -5.23 1.32 -0.05 -0.99 -0.21 -0.96 -5.06 119.66 108.47 1pn0 s GLN 584 Ca 0.08 -0.82 0.08 0.00 0.02 0.00 0.00 55.36 54.72 1pn0 s GLN 584 Cb -0.04 -1.37 0.12 0.00 1.00 0.00 0.00 33.01 32.72 1pn0 s GLN 584 CO 0.10 0.35 1.05 0.66 -2.12 0.00 0.00 175.29 175.34 1pn0 n TYR 585 N 2.07 0.00 -2.07 0.91 4.01 -1.26 -4.54 117.16 116.28 1pn0 n TYR 585 Ca -0.17 -0.41 -0.31 0.00 -0.16 0.00 0.00 57.90 56.86 1pn0 n TYR 585 Cb 0.54 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.58 5.96 0.00 7.72 8.00 -1.26 -4.65 116.55 131.74 1pn0 n ASP 586 Ca 0.06 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.80 1pn0 n ASP 586 Cb 0.67 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 -4.24 1.24 3.72 -1.26 -5.00 117.46 111.31 1pn0 n PHE 587 Ca 0.48 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.53 1pn0 n PHE 587 Cb 0.61 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.01 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 -1.43 3.36 0.11 4.37 1.01 -1.26 -0.36 121.20 127.00 1pn0 s ILE 588 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1pn0 s ILE 588 Cb 0.00 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1pn0 s ILE 588 CO 0.00 0.47 -0.10 -0.31 0.00 0.00 0.00 174.94 174.99 1pn0 s TYR 589 N 0.96 1.15 0.01 3.97 1.51 0.03 -1.48 117.35 123.49 1pn0 s TYR 589 Ca -0.01 -0.69 0.05 0.00 -1.01 0.00 0.00 57.07 55.42 1pn0 s TYR 589 Cb -0.15 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.08 1pn0 s TYR 589 CO 0.00 0.03 -0.16 0.00 -1.11 0.00 0.00 175.55 174.31 1pn0 s ALA 590 N -2.73 1.37 -0.86 3.71 0.00 0.43 -0.92 121.76 122.76 1pn0 s ALA 590 Ca 0.09 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.10 1pn0 s ALA 590 Cb -0.01 -0.30 0.18 0.00 0.00 0.00 0.00 23.12 22.99 1pn0 s ALA 590 CO 0.00 0.31 0.91 0.34 0.00 0.00 0.00 175.76 177.32 1pn0 s ASP 591 N -0.71 6.67 0.24 0.00 2.15 0.08 -0.42 116.67 124.68 1pn0 s ASP 591 Ca 0.05 -2.35 -0.17 0.00 0.43 0.00 0.00 52.55 50.51 1pn0 s ASP 591 Cb -0.07 -2.29 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1pn0 s ASP 591 CO 0.00 -0.80 0.58 0.00 -0.17 0.00 0.00 175.17 174.78 1pn0 s ASP 593 N -2.94 4.10 0.35 0.00 2.15 -1.26 -4.32 116.67 114.75 1pn0 s ASP 593 Ca 0.14 2.47 0.03 0.00 0.43 0.00 0.00 52.55 55.62 1pn0 s ASP 593 Cb -0.03 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1pn0 s ASP 593 CO 0.05 -2.33 0.39 -0.94 -0.17 0.00 0.00 175.17 172.16 1pn0 s SER 594 N -1.82 1.38 0.25 -0.34 1.04 -0.90 -4.90 113.70 108.41 1pn0 s SER 594 Ca 0.77 -1.65 -0.05 0.00 0.48 0.00 0.00 55.95 55.50 1pn0 s SER 594 Cb -0.32 0.63 0.26 0.00 0.10 0.00 0.00 66.02 66.69 1pn0 s SER 594 CO 0.45 -1.21 1.84 -0.50 0.98 0.00 0.00 173.24 174.81 1pn0 h TRP 595 N 2.10 1.14 -0.01 5.02 4.06 -1.97 -3.28 115.95 123.00 1pn0 h TRP 595 Ca -0.26 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.64 1pn0 h TRP 595 Cb 1.23 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 1pn0 h TRP 595 CO 1.70 0.82 -0.02 0.72 -3.56 0.00 0.00 178.44 178.10 1pn0 n HIS 596 N -4.31 0.00 -3.86 0.49 8.25 -1.26 -5.00 115.22 109.53 1pn0 n HIS 596 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.42 1pn0 n HIS 596 Cb 0.14 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.81 0.01 0.97 4.41 3.76 -1.24 -5.16 115.29 117.23 1pn0 s HIS 597 Ca 0.10 -0.08 -0.14 0.00 -0.15 0.00 0.00 55.06 54.79 1pn0 s HIS 597 Cb 0.08 -0.03 0.18 0.00 1.11 0.00 0.00 32.58 33.91 1pn0 s HIS 597 CO 0.12 -0.30 1.18 -1.25 -0.85 0.00 0.00 174.74 173.65 1pn0 s PRO 598 N -1.38 0.65 0.03 8.40 0.04 -1.26 -2.12 135.00 139.35 1pn0 s PRO 598 Ca -0.15 0.03 -0.35 0.00 0.04 0.00 0.00 61.00 60.58 1pn0 s PRO 598 Cb -0.07 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.52 1pn0 s PRO 598 CO 0.02 -2.48 1.66 1.58 0.04 0.00 0.00 177.00 177.82 1pn0 n HIS 599 N -3.91 2.17 1.25 0.56 -0.00 -1.26 -4.55 115.22 109.48 1pn0 n HIS 599 Ca 0.10 0.25 0.14 0.00 -0.00 0.00 0.00 57.72 58.21 1pn0 n HIS 599 Cb 0.59 -2.55 0.69 0.00 -0.00 0.00 0.00 29.99 28.73 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 4.57 0.30 -3.88 1.57 -0.04 -1.26 -4.90 135.00 131.35 1pn0 n PRO 600 Ca 0.20 0.02 -0.27 0.00 -0.04 0.00 0.00 63.50 63.40 1pn0 n PRO 600 Cb 0.26 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.34 -4.81 0.08 0.54 4.76 -1.26 -4.89 118.16 111.23 1pn0 n LYS 601 Ca 0.12 0.56 -0.12 0.00 -2.87 0.00 0.00 58.31 55.99 1pn0 n LYS 601 Cb 0.26 -5.22 -0.06 0.00 -1.84 0.00 0.00 35.03 28.16 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 -1.93 0.39 -0.83 4.39 0.02 -1.91 -1.34 113.55 112.35 1pn0 h SER 602 Ca -0.60 -0.35 0.06 0.00 -0.84 0.00 0.00 61.79 60.07 1pn0 h SER 602 Cb 1.37 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 1pn0 h SER 602 CO 0.64 1.18 0.51 1.88 -1.14 0.00 0.00 176.83 179.90 1pn0 h TYR 603 N 0.14 0.93 -0.62 3.45 -1.99 -1.90 0.10 116.97 117.09 1pn0 h TYR 603 Ca -0.08 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.61 1pn0 h TYR 603 Cb 1.67 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 40.08 1pn0 h TYR 603 CO 0.05 0.47 0.11 1.96 -0.00 0.00 0.00 178.16 180.75 1pn0 h GLN 604 N 0.93 1.01 -0.55 4.88 4.20 -1.70 0.21 115.11 124.08 1pn0 h GLN 604 Ca 0.36 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1pn0 h GLN 604 Cb 0.17 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1pn0 h GLN 604 CO -0.17 0.94 0.14 0.00 -0.67 0.00 0.00 178.83 179.08 1pn0 h ALA 605 N 1.03 1.23 0.00 3.87 0.00 -0.61 -1.86 119.26 122.91 1pn0 h ALA 605 Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pn0 h ALA 605 Cb 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pn0 h ALA 605 CO 0.01 0.54 0.00 0.91 0.00 0.00 0.00 179.25 180.71 1pn0 n TRP 606 N -4.28 0.80 -2.20 0.00 8.01 0.29 -4.66 117.44 115.40 1pn0 n TRP 606 Ca 0.04 0.23 -0.04 0.00 -1.31 0.00 0.00 57.50 56.42 1pn0 n TRP 606 Cb 0.22 -0.88 0.00 0.00 -2.01 0.00 0.00 31.31 28.64 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 1.32 0.28 3.57 6.99 0.00 0.59 -1.33 105.19 116.61 1pn0 n GLY 607 Ca 0.06 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.37 3.91 0.18 1.61 1.01 -0.39 -0.97 120.40 123.38 1pn0 s VAL 608 Ca 0.02 -0.38 -0.32 0.00 0.00 0.00 0.00 61.98 61.30 1pn0 s VAL 608 Cb -0.01 -2.65 -0.11 0.00 0.00 0.00 0.00 36.38 33.61 1pn0 s VAL 608 CO 0.03 0.56 1.70 -0.62 0.00 0.00 0.00 175.10 176.77 1pn0 s ASP 609 N -0.40 6.44 0.37 3.32 2.15 -1.26 -4.41 116.67 122.88 1pn0 s ASP 609 Ca 0.06 2.78 0.07 0.00 0.43 0.00 0.00 52.55 55.89 1pn0 s ASP 609 Cb -0.12 -2.59 0.71 0.00 -0.30 0.00 0.00 42.92 40.62 1pn0 s ASP 609 CO 0.02 -0.94 1.92 -0.33 -0.17 0.00 0.00 175.17 175.67 1pn0 h GLU 610 N 7.11 0.43 0.00 4.34 5.08 -1.95 -0.94 114.58 128.66 1pn0 h GLU 610 Ca -0.43 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 1pn0 h GLU 610 Cb 1.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1pn0 h GLU 610 CO 0.95 0.46 -0.37 1.15 -1.00 0.00 0.00 179.01 180.19 1pn0 h THR 611 N 0.42 1.29 0.00 1.13 2.02 -1.92 -2.90 112.91 112.96 1pn0 h THR 611 Ca 0.09 -2.10 -0.11 0.00 0.77 0.00 0.00 66.41 65.06 1pn0 h THR 611 Cb 0.27 2.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 1pn0 h THR 611 CO 0.01 0.44 -0.98 0.11 0.37 0.00 0.00 175.52 175.46 1pn0 h LYS 612 N -1.00 0.00 0.00 6.66 1.57 -1.91 -1.36 116.57 120.53 1pn0 h LYS 612 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1pn0 h LYS 612 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1pn0 h LYS 612 CO -0.06 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 1pn0 n GLY 613 N 1.29 0.52 3.84 3.86 0.00 -0.36 -4.68 105.19 109.66 1pn0 n GLY 613 Ca -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.76 -2.23 -0.07 4.61 0.00 -0.81 -4.54 121.76 116.96 1pn0 s ALA 614 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.19 1pn0 s ALA 614 Cb 0.00 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1pn0 s ALA 614 CO 0.00 -1.10 -0.11 0.08 0.00 0.00 0.00 175.76 174.63 1pn0 s VAL 615 N -2.23 1.08 -0.10 0.00 1.01 0.12 -0.41 120.40 119.87 1pn0 s VAL 615 Ca 0.22 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1pn0 s VAL 615 Cb 0.01 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1pn0 s VAL 615 CO -0.01 0.35 -0.13 -0.69 0.00 0.00 0.00 175.10 174.62 1pn0 s VAL 616 N 0.82 1.32 -0.02 2.92 1.01 -0.20 -0.48 120.40 125.76 1pn0 s VAL 616 Ca -0.12 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 1pn0 s VAL 616 Cb -0.15 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 1pn0 s VAL 616 CO 0.02 0.40 0.43 -0.69 0.00 0.00 0.00 175.10 175.26 1pn0 s VAL 617 N 1.01 5.03 -0.05 2.92 1.01 0.02 0.01 120.40 130.36 1pn0 s VAL 617 Ca -0.07 0.88 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1pn0 s VAL 617 Cb -0.15 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1pn0 s VAL 617 CO -0.01 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 174.78 1pn0 s VAL 618 N -0.77 1.29 0.88 2.92 1.01 0.01 -0.80 120.40 124.94 1pn0 s VAL 618 Ca 0.24 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1pn0 s VAL 618 Cb -0.17 -1.13 0.12 0.00 0.00 0.00 0.00 36.38 35.20 1pn0 s VAL 618 CO 0.13 0.38 1.10 -0.13 0.00 0.00 0.00 175.10 176.58 1pn0 s ARG 619 N 0.20 1.41 0.60 2.72 0.52 0.44 -0.53 118.95 124.31 1pn0 s ARG 619 Ca -0.06 0.68 0.30 0.00 -0.52 0.00 0.00 55.73 56.13 1pn0 s ARG 619 Cb -0.12 -1.84 1.78 0.00 0.52 0.00 0.00 34.95 35.29 1pn0 s ARG 619 CO 0.02 -2.10 2.19 -1.35 0.02 0.00 0.00 175.30 174.08 1pn0 h PRO 620 N -1.44 0.00 -0.51 3.54 0.11 -1.86 -0.55 132.00 131.28 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 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 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 -3.76 2.61 0.00 -2.05 5.68 -1.26 -4.63 116.55 113.14 1pn0 n ASP 621 Ca -0.01 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1pn0 n ASP 621 Cb 0.20 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1pn0 n ASP 621 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pn0 n GLY 622 N 0.96 0.54 3.82 6.12 0.00 -0.21 -5.00 105.19 111.42 1pn0 n GLY 622 Ca 0.14 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 3.66 0.14 1.61 1.51 -1.26 -0.59 117.35 120.42 1pn0 s TYR 623 Ca 0.00 0.87 -0.31 0.00 -1.01 0.00 0.00 57.07 56.62 1pn0 s TYR 623 Cb 0.00 -2.26 -0.08 0.00 -0.11 0.00 0.00 41.96 39.51 1pn0 s TYR 623 CO 0.00 0.58 1.33 0.99 -1.11 0.00 0.00 175.55 177.35 1pn0 s THR 624 N -0.78 3.37 0.00 -0.71 2.01 -0.35 -0.42 115.64 118.77 1pn0 s THR 624 Ca 0.22 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1pn0 s THR 624 Cb -0.15 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1pn0 s THR 624 CO 0.11 0.11 0.00 -1.54 -0.69 0.00 0.00 174.62 172.60 1pn0 n SER 625 N 3.47 0.72 -3.63 3.53 3.41 0.02 -0.67 113.62 120.47 1pn0 n SER 625 Ca 0.09 -0.34 -0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1pn0 n SER 625 Cb 0.43 0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 65.13 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 -1.78 -0.65 -0.10 1.04 2.96 -1.20 -1.07 118.68 117.89 1pn0 s LEU 626 Ca 0.00 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 1pn0 s LEU 626 Cb 0.00 2.22 0.02 0.00 0.50 0.00 0.00 46.19 48.92 1pn0 s LEU 626 CO 0.00 -0.21 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.00 1pn0 s VAL 627 N 0.49 1.30 0.00 1.68 1.01 -1.26 -0.80 120.40 122.82 1pn0 s VAL 627 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1pn0 s VAL 627 Cb -0.05 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1pn0 s VAL 627 CO -0.04 0.40 0.00 1.07 0.00 0.00 0.00 175.10 176.53 1pn0 n THR 628 N 4.25 0.00 -3.53 3.92 5.66 0.36 -0.67 114.28 124.27 1pn0 n THR 628 Ca -0.19 0.00 -0.23 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 -1.00 4.90 0.59 1.09 1.47 -1.26 -0.70 116.67 121.76 1pn0 s ASP 629 Ca 0.00 -0.99 0.32 0.00 1.18 0.00 0.00 52.55 53.06 1pn0 s ASP 629 Cb 0.00 0.11 1.84 0.00 -0.34 0.00 0.00 42.92 44.53 1pn0 s ASP 629 CO 0.00 -1.05 2.23 -0.07 0.68 0.00 0.00 175.17 176.95 1pn0 h LEU 630 N 0.65 0.00 0.00 2.11 3.38 -1.91 -0.74 115.31 118.80 1pn0 h LEU 630 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1pn0 h LEU 630 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1pn0 h LEU 630 CO 0.52 0.03 -0.08 -0.62 0.09 0.00 0.00 178.44 178.38 1pn0 n GLU 631 N -3.64 0.06 -0.63 1.13 4.71 -1.26 -4.37 120.64 116.64 1pn0 n GLU 631 Ca -0.03 0.04 -0.03 0.00 -0.01 0.00 0.00 57.16 57.13 1pn0 n GLU 631 Cb 0.12 -1.56 -0.04 0.00 -1.01 0.00 0.00 31.44 28.95 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 1.46 2.63 0.21 0.62 0.00 -0.28 -4.47 105.19 105.36 1pn0 n GLY 632 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.25 1.26 -0.81 2.61 1.35 -1.81 -2.51 112.91 114.25 1pn0 h THR 633 Ca 0.05 -1.25 -0.03 0.00 -0.55 0.00 0.00 66.41 64.63 1pn0 h THR 633 Cb 1.13 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 69.06 1pn0 h THR 633 CO 0.06 0.37 0.40 0.00 -0.25 0.00 0.00 175.52 176.10 1pn0 h ALA 634 N 1.52 1.04 -0.72 6.62 0.00 -1.98 -0.50 119.26 125.24 1pn0 h ALA 634 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1pn0 h ALA 634 Cb 0.65 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1pn0 h ALA 634 CO 0.05 0.59 0.24 0.93 0.00 0.00 0.00 179.25 181.06 1pn0 h GLU 635 N 1.14 1.10 -0.33 0.00 3.07 -1.83 -0.91 114.58 116.82 1pn0 h GLU 635 Ca 0.28 -0.22 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1pn0 h GLU 635 Cb 0.10 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1pn0 h GLU 635 CO -0.04 0.93 0.03 0.82 -1.40 0.00 0.00 179.01 179.35 1pn0 h ILE 636 N 1.06 1.25 -0.14 3.13 2.04 -1.01 -0.59 117.51 123.24 1pn0 h ILE 636 Ca 0.23 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1pn0 h ILE 636 Cb 0.28 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1pn0 h ILE 636 CO -0.01 0.29 0.00 0.44 0.00 0.00 0.00 178.15 178.87 1pn0 h ASP 637 N 0.37 -0.04 -0.53 1.72 3.32 -0.84 -2.16 116.42 118.26 1pn0 h ASP 637 Ca 0.10 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1pn0 h ASP 637 Cb 0.39 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1pn0 h ASP 637 CO 0.01 -0.00 0.34 -0.09 -1.72 0.00 0.00 179.24 177.78 1pn0 h ARG 638 N 0.05 0.66 0.09 3.56 2.43 -1.08 0.18 114.38 120.27 1pn0 h ARG 638 Ca 0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1pn0 h ARG 638 Cb 0.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1pn0 h ARG 638 CO -0.11 0.44 -0.09 -0.92 -1.51 0.00 0.00 179.97 177.78 1pn0 h TYR 639 N 0.68 -0.22 -0.04 2.20 3.20 -0.77 -2.74 116.97 119.27 1pn0 h TYR 639 Ca 0.20 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.96 1pn0 h TYR 639 Cb -0.04 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1pn0 h TYR 639 CO -0.05 -0.14 -0.49 0.74 -1.64 0.00 0.00 178.16 176.59 1pn0 h PHE 640 N -0.20 0.13 0.00 -3.82 0.04 -1.28 -3.06 116.94 108.75 1pn0 h PHE 640 Ca 0.00 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 1pn0 h PHE 640 Cb 0.19 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 1pn0 h PHE 640 CO -0.11 0.57 -0.00 0.77 -0.60 0.00 0.00 178.31 178.94 1pn0 h SER 641 N 0.09 0.00 0.86 2.17 0.02 -0.66 0.21 113.55 116.23 1pn0 h SER 641 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pn0 h SER 641 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1pn0 h SER 641 CO 0.07 0.00 -0.12 0.61 -1.14 0.00 0.00 176.83 176.25 1pn0 n GLY 642 N -1.51 -1.43 0.93 -3.77 0.00 -1.13 -4.43 105.19 93.86 1pn0 n GLY 642 Ca -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.48 0.19 -3.15 -0.61 5.41 -0.49 -4.85 119.36 114.37 1pn0 n ILE 643 Ca 0.07 -0.01 -0.27 0.00 1.00 0.00 0.00 62.75 63.54 1pn0 n ILE 643 Cb 0.34 -1.54 -0.02 0.00 -0.71 0.00 0.00 39.64 37.71 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 -6.18 3.93 -0.17 1.39 1.43 0.60 -1.74 118.68 117.95 1pn0 s LEU 644 Ca -0.03 0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 53.75 1pn0 s LEU 644 Cb 0.01 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1pn0 s LEU 644 CO 0.04 -0.32 -0.02 -0.69 0.23 0.00 0.00 176.35 175.58 1pn0 s VAL 645 N -2.32 3.91 0.29 -1.59 1.01 -0.42 -4.80 120.40 116.49 1pn0 s VAL 645 Ca 0.44 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1pn0 s VAL 645 Cb -0.10 -2.74 -0.11 0.00 0.00 0.00 0.00 36.38 33.43 1pn0 s VAL 645 CO 0.35 0.47 1.50 -1.61 0.00 0.00 0.00 175.10 175.81 1pn0 s GLU 646 N 0.61 4.19 0.86 2.72 2.02 -1.26 -4.83 118.70 123.01 1pn0 s GLU 646 Ca -0.02 2.45 -0.11 0.00 0.02 0.00 0.00 54.97 57.32 1pn0 s GLU 646 Cb -0.14 -3.05 0.11 0.00 0.10 0.00 0.00 34.13 31.15 1pn0 s GLU 646 CO 0.02 -0.51 1.14 -2.14 0.02 0.00 0.00 175.26 173.79 1pn0 s PRO 647 N -0.75 1.43 0.32 0.39 0.02 -1.26 -4.90 135.00 130.24 1pn0 s PRO 647 Ca 0.59 1.48 0.03 0.00 0.02 0.00 0.00 61.00 63.12 1pn0 s PRO 647 Cb -0.45 -1.78 0.55 0.00 0.02 0.00 0.00 34.50 32.84 1pn0 s PRO 647 CO 0.49 -2.32 1.86 0.87 -0.33 0.00 0.00 177.00 177.57 1pn0 h LYS 648 N -1.55 0.60 -4.54 5.54 1.57 -1.96 -3.37 116.57 112.86 1pn0 h LYS 648 Ca -0.44 -0.13 -0.59 0.00 -1.87 0.00 0.00 60.65 57.63 1pn0 h LYS 648 Cb 1.26 -0.09 -0.36 0.00 0.08 0.00 0.00 32.23 33.12 1pn0 h LYS 648 CO 0.45 0.60 -0.82 -1.21 -0.57 0.00 0.00 179.45 177.90 1pn0 s GLU 649 N -5.03 2.05 0.37 3.15 2.02 -1.26 -5.10 118.70 114.90 1pn0 s GLU 649 Ca -0.08 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1pn0 s GLU 649 Cb 0.15 -2.08 -0.03 0.00 0.10 0.00 0.00 34.13 32.28 1pn0 s GLU 649 CO 0.77 -0.29 0.57 0.15 0.02 0.00 0.00 175.26 176.48 1pn0 s LYS 650 N 1.52 3.44 0.22 1.61 1.02 -1.26 -1.12 119.74 125.17 1pn0 s LYS 650 Ca 0.03 -0.33 -0.07 0.00 0.02 0.00 0.00 55.97 55.62 1pn0 s LYS 650 Cb -0.14 -2.64 0.19 0.00 -0.52 0.00 0.00 37.83 34.73 1pn0 s LYS 650 CO -0.10 0.08 1.81 1.03 -0.92 0.00 0.00 175.35 177.26 1pn0 h SER 651 N 0.69 1.11 -3.23 2.83 0.87 -0.33 -3.31 113.55 112.18 1pn0 h SER 651 Ca -0.49 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1pn0 h SER 651 Cb 1.22 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1pn0 h SER 651 CO 0.61 0.95 -0.00 0.61 -0.53 0.00 0.00 176.83 178.46 1pn0 n GLY 652 N -0.98 -1.81 3.70 5.77 0.00 -0.63 -4.87 105.19 106.38 1pn0 n GLY 652 Ca 0.08 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.03 1.27 -2.27 4.61 0.00 -1.26 -4.57 120.51 118.27 1pn0 n ALA 653 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1pn0 n ALA 653 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.15 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 -2.38 4.27 -0.00 0.00 2.00 -0.36 -4.90 119.66 118.28 1pn0 s GLN 654 Ca 0.64 1.89 0.09 0.00 -2.00 0.00 0.00 55.36 55.98 1pn0 s GLN 654 Cb -0.48 -3.67 -0.11 0.00 0.80 0.00 0.00 33.01 29.56 1pn0 s GLN 654 CO 0.55 -0.62 0.31 0.25 -0.50 0.00 0.00 175.29 175.28 1pn0 n THR 655 N 4.91 0.00 -1.89 -0.34 -2.24 -1.26 -4.96 114.28 108.50 1pn0 n THR 655 Ca 0.13 -0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 1pn0 n THR 655 Cb 0.44 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.44 1pn0 n THR 655 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pn0 s GLU 656 N -2.09 3.72 0.58 -0.78 2.12 -1.26 -4.98 118.70 116.01 1pn0 s GLU 656 Ca 0.01 2.30 -0.16 0.00 0.36 0.00 0.00 54.97 57.48 1pn0 s GLU 656 Cb 0.06 -2.64 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 1pn0 s GLU 656 CO 0.36 -0.75 1.04 0.00 -0.54 0.00 0.00 175.26 175.38 1pn0 s ALA 657 N -1.24 2.80 -0.34 6.30 0.00 -1.26 -4.81 121.76 123.21 1pn0 s ALA 657 Ca 0.61 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 1pn0 s ALA 657 Cb -0.41 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1pn0 s ALA 657 CO 0.52 -0.69 2.28 -3.47 0.00 0.00 0.00 175.76 174.41 1pn0 n ASP 658 N -1.91 2.65 0.22 0.00 -0.08 -1.26 -4.79 116.55 111.38 1pn0 n ASP 658 Ca 0.08 0.08 0.15 0.00 -1.51 0.00 0.00 54.79 53.60 1pn0 n ASP 658 Cb 0.53 -1.47 0.77 0.00 2.34 0.00 0.00 41.12 43.29 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 15.42 0.00 0.00 -0.67 5.08 -1.91 -2.38 115.95 131.49 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 -0.09 1.79 -1.28 0.00 0.00 178.44 179.81 1pn0 h THR 660 N 0.00 0.00 0.00 0.12 1.35 -1.93 -3.24 112.91 109.22 1pn0 h THR 660 Ca 0.00 -0.52 -0.22 0.00 -0.55 0.00 0.00 66.41 65.13 1pn0 h THR 660 Cb 0.13 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.97 1pn0 h THR 660 CO 0.00 0.00 -1.45 0.11 -0.25 0.00 0.00 175.52 173.93 1pn0 h LYS 661 N 0.00 0.00 0.00 4.72 1.79 -1.82 -3.53 116.57 117.73 1pn0 h LYS 661 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pn0 h LYS 661 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1pn0 h LYS 661 CO 0.00 0.42 0.00 -1.13 -1.08 0.00 0.00 179.45 177.66