#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 4.30 -0.13 -2.82 2.20 -0.32 -4.96 119.74 118.01 1pn0 s LYS 2 Ca 0.00 0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 56.20 1pn0 s LYS 2 Cb 0.00 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1pn0 s LYS 2 CO 0.00 0.30 -0.01 0.71 -0.36 0.00 0.00 175.35 175.98 1pn0 s TYR 3 N 0.10 3.09 0.16 4.03 2.02 -1.26 -1.13 117.35 124.36 1pn0 s TYR 3 Ca 0.29 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.94 1pn0 s TYR 3 Cb -0.17 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1pn0 s TYR 3 CO 0.15 0.20 0.09 -1.54 -1.57 0.00 0.00 175.55 172.88 1pn0 s SER 4 N -0.19 0.23 -0.14 2.29 1.04 -0.54 -4.97 113.70 111.42 1pn0 s SER 4 Ca 0.04 -1.30 -0.12 0.00 0.48 0.00 0.00 55.95 55.05 1pn0 s SER 4 Cb -0.13 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1pn0 s SER 4 CO 0.02 -0.78 0.38 -0.70 0.98 0.00 0.00 173.24 173.14 1pn0 s GLU 5 N -4.10 0.42 0.36 4.02 2.12 -1.26 -0.72 118.70 119.54 1pn0 s GLU 5 Ca 0.31 0.56 -0.13 0.00 0.36 0.00 0.00 54.97 56.07 1pn0 s GLU 5 Cb 0.07 0.17 0.04 0.00 0.26 0.00 0.00 34.13 34.67 1pn0 s GLU 5 CO 0.07 -0.07 0.70 -1.54 -0.54 0.00 0.00 175.26 173.88 1pn0 s SER 6 N 0.41 0.16 0.08 -1.70 1.04 -0.41 -4.96 113.70 108.32 1pn0 s SER 6 Ca -0.02 -1.15 0.06 0.00 0.48 0.00 0.00 55.95 55.33 1pn0 s SER 6 Cb -0.04 0.79 -0.03 0.00 0.10 0.00 0.00 66.02 66.84 1pn0 s SER 6 CO -0.02 -1.55 -0.16 -0.31 0.98 0.00 0.00 173.24 172.18 1pn0 s TYR 7 N -2.72 1.39 0.16 5.02 1.51 -1.26 -0.87 117.35 120.57 1pn0 s TYR 7 Ca 0.18 -0.45 -0.20 0.00 -1.01 0.00 0.00 57.07 55.59 1pn0 s TYR 7 Cb -0.04 -0.77 0.05 0.00 -0.11 0.00 0.00 41.96 41.09 1pn0 s TYR 7 CO 0.13 0.10 0.53 0.00 -1.11 0.00 0.00 175.55 175.20 1pn0 h ASP 9 N 2.14 0.34 -3.62 0.00 3.32 -1.35 -2.15 116.42 115.10 1pn0 h ASP 9 Ca -0.33 -0.88 -0.37 0.00 0.02 0.00 0.00 57.03 55.47 1pn0 h ASP 9 Cb 1.29 -0.11 -0.32 0.00 0.22 0.00 0.00 39.33 40.40 1pn0 h ASP 9 CO 0.40 1.46 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.93 1pn0 s VAL 10 N -2.42 0.42 -0.20 -1.35 1.01 -0.98 -0.95 120.40 115.93 1pn0 s VAL 10 Ca -0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1pn0 s VAL 10 Cb 0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 1pn0 s VAL 10 CO 0.77 0.17 -0.09 -0.22 0.00 0.00 0.00 175.10 175.73 1pn0 s LEU 11 N 0.59 2.66 -0.27 3.92 2.96 -0.33 -1.01 118.68 127.19 1pn0 s LEU 11 Ca -0.07 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.27 1pn0 s LEU 11 Cb -0.10 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1pn0 s LEU 11 CO -0.00 -0.00 0.17 -0.63 -1.32 0.00 0.00 176.35 174.56 1pn0 s ILE 12 N 1.36 5.16 -0.42 6.68 1.01 0.67 -0.90 121.20 134.75 1pn0 s ILE 12 Ca 0.05 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 1pn0 s ILE 12 Cb -0.14 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 38.92 1pn0 s ILE 12 CO -0.06 0.27 0.31 -0.69 0.00 0.00 0.00 174.94 174.78 1pn0 s VAL 13 N 1.67 5.18 0.00 2.92 1.01 0.04 -1.11 120.40 130.10 1pn0 s VAL 13 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1pn0 s VAL 13 Cb -0.16 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1pn0 s VAL 13 CO 0.09 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1pn0 n GLY 14 N 5.15 2.73 2.27 4.51 0.00 0.63 -0.29 105.19 120.19 1pn0 n GLY 14 Ca -0.11 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 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 1.48 4.63 -1.59 4.61 0.00 -1.23 -4.07 120.51 124.35 1pn0 n ALA 15 Ca 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1pn0 n ALA 15 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.61 0.22 0.23 0.00 0.00 -1.26 -4.63 105.19 99.14 1pn0 n GLY 16 Ca 0.36 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.57 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 0.19 -0.14 1.61 0.11 -1.94 0.85 132.00 132.68 1pn0 h PRO 17 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1pn0 h PRO 17 Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1pn0 h PRO 17 CO 0.00 0.13 0.09 0.00 -0.21 0.00 0.00 178.00 178.01 1pn0 h ALA 18 N 1.51 0.17 -0.41 -0.75 0.00 -1.89 -1.45 119.26 116.44 1pn0 h ALA 18 Ca 0.32 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1pn0 h ALA 18 Cb 0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1pn0 h ALA 18 CO -0.45 -0.34 -0.13 0.78 0.00 0.00 0.00 179.25 179.11 1pn0 h GLY 19 N 0.19 0.89 1.03 0.00 0.00 -1.53 -1.22 103.07 102.42 1pn0 h GLY 19 Ca 0.05 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 1pn0 h GLY 19 CO -0.01 0.69 0.15 1.41 0.00 0.00 0.00 176.54 178.77 1pn0 h LEU 20 N 0.64 0.95 -0.70 3.11 3.38 -0.82 -0.28 115.31 121.58 1pn0 h LEU 20 Ca 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1pn0 h LEU 20 Cb 0.67 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1pn0 h LEU 20 CO 0.05 0.94 0.38 -0.03 0.09 0.00 0.00 178.44 179.86 1pn0 h MET 21 N 0.91 0.99 -0.42 1.13 4.05 -1.10 0.12 114.93 120.60 1pn0 h MET 21 Ca 0.19 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1pn0 h MET 21 Cb 0.36 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 1pn0 h MET 21 CO 0.00 0.75 0.19 0.00 0.23 0.00 0.00 176.91 178.08 1pn0 h ALA 22 N 1.19 0.52 -0.66 0.39 0.00 -0.79 0.12 119.26 120.02 1pn0 h ALA 22 Ca 0.25 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1pn0 h ALA 22 Cb 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1pn0 h ALA 22 CO -0.04 -0.18 0.20 0.00 0.00 0.00 0.00 179.25 179.23 1pn0 h ALA 23 N 1.24 0.86 -0.38 0.00 0.00 -0.67 -0.32 119.26 120.00 1pn0 h ALA 23 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1pn0 h ALA 23 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pn0 h ALA 23 CO -0.16 0.55 0.15 -0.09 0.00 0.00 0.00 179.25 179.71 1pn0 h ARG 24 N 0.96 0.57 -0.18 0.00 9.65 -0.25 0.84 114.38 125.98 1pn0 h ARG 24 Ca 0.21 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1pn0 h ARG 24 Cb 0.31 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1pn0 h ARG 24 CO -0.00 0.55 0.08 0.28 2.80 0.00 0.00 179.97 183.67 1pn0 h VAL 25 N 0.48 1.15 0.00 0.20 2.07 -0.64 -2.94 116.25 116.57 1pn0 h VAL 25 Ca 0.13 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1pn0 h VAL 25 Cb 0.19 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1pn0 h VAL 25 CO -0.01 0.15 -0.16 -0.07 0.02 0.00 0.00 177.57 177.50 1pn0 h LEU 26 N 0.15 0.00 -1.23 2.57 3.38 -0.91 -2.96 115.31 116.32 1pn0 h LEU 26 Ca 0.06 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1pn0 h LEU 26 Cb 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1pn0 h LEU 26 CO -0.01 0.16 0.58 0.28 0.09 0.00 0.00 178.44 179.54 1pn0 h SER 27 N 0.00 0.73 -0.96 -0.43 0.02 -0.63 -0.20 113.55 112.08 1pn0 h SER 27 Ca -0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1pn0 h SER 27 Cb 0.38 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 1pn0 h SER 27 CO 0.02 0.39 0.60 -0.08 -1.14 0.00 0.00 176.83 176.63 1pn0 h GLU 28 N 0.79 1.29 -0.04 3.45 4.57 -1.62 -0.82 114.58 122.19 1pn0 h GLU 28 Ca 0.44 -0.10 -0.18 0.00 -1.18 0.00 0.00 59.36 58.34 1pn0 h GLU 28 Cb 0.59 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1pn0 h GLU 28 CO -0.20 0.88 -0.76 1.88 -1.18 0.00 0.00 179.01 179.63 1pn0 h TYR 29 N 1.31 0.36 -0.46 0.92 0.05 -1.23 -2.36 116.97 115.56 1pn0 h TYR 29 Ca 0.35 -0.17 -0.12 0.00 0.05 0.00 0.00 58.73 58.84 1pn0 h TYR 29 Cb -0.10 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1pn0 h TYR 29 CO 0.00 0.92 -0.20 0.28 -1.05 0.00 0.00 178.16 178.12 1pn0 h VAL 30 N 0.17 1.27 -0.84 -2.88 2.07 -1.10 0.14 116.25 115.08 1pn0 h VAL 30 Ca -0.03 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1pn0 h VAL 30 Cb 1.33 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1pn0 h VAL 30 CO 0.12 0.46 0.44 -0.09 0.02 0.00 0.00 177.57 178.52 1pn0 h ARG 31 N 0.80 1.18 -0.10 1.57 2.43 -0.94 -1.76 114.38 117.57 1pn0 h ARG 31 Ca 0.11 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 1pn0 h ARG 31 Cb 0.75 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1pn0 h ARG 31 CO 0.06 0.88 -0.60 1.96 -1.51 0.00 0.00 179.97 180.76 1pn0 h GLN 32 N 1.18 0.32 -2.64 0.20 4.20 -1.10 -3.38 115.11 113.90 1pn0 h GLN 32 Ca 0.29 -0.22 -0.60 0.00 0.06 0.00 0.00 58.65 58.18 1pn0 h GLN 32 Cb 0.06 0.03 -0.40 0.00 0.30 0.00 0.00 27.48 27.48 1pn0 h GLN 32 CO -0.04 0.83 -0.81 1.17 -0.67 0.00 0.00 178.83 179.30 1pn0 n LYS 33 N -3.89 0.92 0.34 1.46 4.81 0.46 -5.00 118.16 117.25 1pn0 n LYS 33 Ca -0.03 -3.74 0.20 0.00 -0.87 0.00 0.00 58.31 53.88 1pn0 n LYS 33 Cb 0.62 -1.92 1.09 0.00 0.02 0.00 0.00 35.03 34.84 1pn0 n LYS 33 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1pn0 h PRO 34 N 5.44 0.00 0.00 1.64 0.11 -1.52 -0.65 132.00 137.03 1pn0 h PRO 34 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1pn0 h PRO 34 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1pn0 h PRO 34 CO 0.52 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 1pn0 n ASP 35 N -3.02 0.00 -4.76 -2.05 5.75 -1.26 -4.78 116.55 106.42 1pn0 n ASP 35 Ca -0.03 -0.12 -0.41 0.00 -0.01 0.00 0.00 54.79 54.22 1pn0 n ASP 35 Cb 0.18 -0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 39.97 1pn0 n ASP 35 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pn0 s LEU 36 N -2.56 4.39 -0.34 -2.12 1.43 -0.25 -4.99 118.68 114.23 1pn0 s LEU 36 Ca 0.27 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 1pn0 s LEU 36 Cb 0.19 -3.64 0.08 0.00 0.03 0.00 0.00 46.19 42.85 1pn0 s LEU 36 CO 0.42 -0.68 0.06 -0.75 0.23 0.00 0.00 176.35 175.63 1pn0 s LYS 37 N -1.25 2.01 -0.18 1.70 2.20 -1.26 -4.94 119.74 118.02 1pn0 s LYS 37 Ca 0.54 -1.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.50 1pn0 s LYS 37 Cb -0.42 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1pn0 s LYS 37 CO 0.51 -0.85 -0.05 0.08 -0.36 0.00 0.00 175.35 174.68 1pn0 s VAL 38 N 1.10 3.57 0.13 4.02 1.01 -1.26 -0.97 120.40 127.99 1pn0 s VAL 38 Ca 0.03 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.66 1pn0 s VAL 38 Cb -0.21 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1pn0 s VAL 38 CO -0.04 0.47 -0.25 -0.13 0.00 0.00 0.00 175.10 175.15 1pn0 s ARG 39 N 0.78 1.49 -0.02 2.72 0.52 -0.18 -4.83 118.95 119.42 1pn0 s ARG 39 Ca -0.02 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 1pn0 s ARG 39 Cb -0.15 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.41 1pn0 s ARG 39 CO 0.02 0.45 0.02 -1.50 0.02 0.00 0.00 175.30 174.31 1pn0 s ILE 40 N -1.11 0.05 0.25 1.52 2.07 -1.26 -0.24 121.20 122.48 1pn0 s ILE 40 Ca 0.15 0.16 0.07 0.00 -1.41 0.00 0.00 60.65 59.62 1pn0 s ILE 40 Cb -0.10 -0.17 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 1pn0 s ILE 40 CO 0.07 0.11 -0.09 0.27 -1.91 0.00 0.00 174.94 173.40 1pn0 s ILE 41 N 1.05 1.65 -0.08 2.00 -4.36 -0.27 -0.90 121.20 120.30 1pn0 s ILE 41 Ca -0.09 -2.15 -0.14 0.00 -0.26 0.00 0.00 60.65 58.00 1pn0 s ILE 41 Cb -0.13 -2.30 0.03 0.00 1.25 0.00 0.00 42.46 41.31 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 -3.39 -0.29 0.05 4.36 -1.08 -0.53 -0.27 116.67 115.52 1pn0 s ASP 42 Ca 0.27 0.42 0.25 0.00 -0.52 0.00 0.00 52.55 52.96 1pn0 s ASP 42 Cb 0.02 0.53 0.41 0.00 -1.46 0.00 0.00 42.92 42.42 1pn0 s ASP 42 CO 0.10 -0.29 1.35 2.29 0.52 0.00 0.00 175.17 179.14 1pn0 n LYS 43 N 2.08 0.13 -3.84 4.34 2.85 -1.09 -1.58 118.16 121.05 1pn0 n LYS 43 Ca -0.17 0.03 -0.33 0.00 -1.05 0.00 0.00 58.31 56.79 1pn0 n LYS 43 Cb 0.57 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 33.33 1pn0 n LYS 43 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1pn0 s ARG 44 N -3.08 3.50 0.99 -1.58 0.52 -1.26 -4.46 118.95 113.58 1pn0 s ARG 44 Ca 0.09 -0.25 -0.14 0.00 -0.52 0.00 0.00 55.73 54.91 1pn0 s ARG 44 Cb 0.16 -3.06 0.19 0.00 0.52 0.00 0.00 34.95 32.75 1pn0 s ARG 44 CO 0.72 0.64 1.15 -1.54 0.02 0.00 0.00 175.30 176.28 1pn0 s SER 45 N -2.01 2.78 0.00 0.23 1.04 -0.59 -4.78 113.70 110.37 1pn0 s SER 45 Ca 0.30 0.82 0.21 0.00 0.48 0.00 0.00 55.95 57.77 1pn0 s SER 45 Cb -0.13 -1.26 0.49 0.00 0.10 0.00 0.00 66.02 65.22 1pn0 s SER 45 CO 0.20 -2.99 1.42 0.35 0.98 0.00 0.00 173.24 173.20 1pn0 n THR 46 N -4.03 0.72 0.17 2.02 -2.24 -1.26 -4.52 114.28 105.14 1pn0 n THR 46 Ca 0.09 -0.86 0.03 0.00 -2.27 0.00 0.00 64.05 61.04 1pn0 n THR 46 Cb 0.59 0.77 0.28 0.00 -2.10 0.00 0.00 70.33 69.87 1pn0 n THR 46 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1pn0 h LYS 47 N 4.12 0.00 -5.52 -0.78 1.57 -1.95 -3.41 116.57 110.61 1pn0 h LYS 47 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1pn0 h LYS 47 Cb 0.95 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.07 1pn0 h LYS 47 CO 0.00 0.47 -0.64 0.08 -0.57 0.00 0.00 179.45 178.79 1pn0 s VAL 48 N -3.67 4.13 -0.11 0.50 1.01 -1.26 -5.05 120.40 115.95 1pn0 s VAL 48 Ca -0.01 -0.28 -0.36 0.00 0.00 0.00 0.00 61.98 61.32 1pn0 s VAL 48 Cb 0.12 -2.79 -0.14 0.00 0.00 0.00 0.00 36.38 33.57 1pn0 s VAL 48 CO 0.72 0.52 1.75 0.00 0.00 0.00 0.00 175.10 178.10 1pn0 n TYR 49 N 3.10 2.16 -3.18 5.22 9.36 -1.26 -4.88 117.16 127.68 1pn0 n TYR 49 Ca -0.18 0.26 -0.34 0.00 3.32 0.00 0.00 57.90 60.97 1pn0 n TYR 49 Cb 0.53 -2.55 -0.04 0.00 -0.63 0.00 0.00 39.34 36.65 1pn0 n TYR 49 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1pn0 n ASN 50 N 5.49 5.04 -3.06 2.98 5.15 -1.26 -4.91 115.26 124.68 1pn0 n ASN 50 Ca 0.23 -3.47 -0.08 0.00 -0.60 0.00 0.00 54.58 50.66 1pn0 n ASN 50 Cb 0.23 -0.91 0.02 0.00 -0.53 0.00 0.00 39.78 38.58 1pn0 n ASN 50 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1pn0 s GLY 51 N -2.25 0.29 0.00 8.20 0.00 -1.26 -5.02 107.32 107.28 1pn0 s GLY 51 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1pn0 s GLY 51 CO 0.02 0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.85 1pn0 n GLN 52 N -0.55 0.00 -2.81 2.90 10.64 -1.26 -4.88 117.38 121.42 1pn0 n GLN 52 Ca -0.07 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.89 1pn0 n GLN 52 Cb 0.60 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 30.00 1pn0 n GLN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pn0 s ALA 53 N 0.00 4.00 0.00 2.61 0.00 -1.26 -4.98 121.76 122.13 1pn0 s ALA 53 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1pn0 s ALA 53 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1pn0 s ALA 53 CO 0.00 -0.56 0.00 -0.40 0.00 0.00 0.00 175.76 174.80 1pn0 n ASP 54 N -2.17 0.00 -4.81 0.00 5.68 -1.26 -2.39 116.55 111.60 1pn0 n ASP 54 Ca 0.06 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.99 1pn0 n ASP 54 Cb 0.59 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.50 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 2.19 -0.14 6.12 0.00 -1.26 0.29 107.32 114.52 1pn0 s GLY 55 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.19 1pn0 s GLY 55 CO 0.00 -0.01 -0.22 1.08 0.00 0.00 0.00 173.10 173.96 1pn0 s LEU 56 N -0.39 2.10 0.60 0.66 1.43 0.22 -4.58 118.68 118.73 1pn0 s LEU 56 Ca 0.15 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1pn0 s LEU 56 Cb -0.13 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.70 1pn0 s LEU 56 CO 0.04 0.07 0.85 -1.10 0.23 0.00 0.00 176.35 176.43 1pn0 s GLN 57 N 0.88 2.38 0.16 1.70 -1.52 -1.26 -1.68 119.66 120.32 1pn0 s GLN 57 Ca -0.05 -0.71 -0.23 0.00 -1.95 0.00 0.00 55.36 52.42 1pn0 s GLN 57 Cb -0.15 -2.40 0.05 0.00 -0.22 0.00 0.00 33.01 30.29 1pn0 s GLN 57 CO -0.03 -0.90 1.60 0.00 -0.25 0.00 0.00 175.29 175.70 1pn0 h ARG 59 N -0.26 0.46 -0.53 0.00 9.65 -1.53 -0.42 114.38 121.75 1pn0 h ARG 59 Ca 0.17 -0.19 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1pn0 h ARG 59 Cb 0.53 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 1pn0 h ARG 59 CO -0.52 0.71 0.32 1.15 2.80 0.00 0.00 179.97 184.43 1pn0 h THR 60 N 0.40 1.16 -0.49 0.20 2.02 -1.60 -0.40 112.91 114.20 1pn0 h THR 60 Ca 0.05 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 1pn0 h THR 60 Cb 0.72 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1pn0 h THR 60 CO 0.06 0.16 0.01 -0.07 0.37 0.00 0.00 175.52 176.05 1pn0 h LEU 61 N 0.71 0.78 -0.68 2.58 3.38 -0.49 0.23 115.31 121.83 1pn0 h LEU 61 Ca 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1pn0 h LEU 61 Cb -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1pn0 h LEU 61 CO -0.04 0.84 0.34 -0.33 0.09 0.00 0.00 178.44 179.35 1pn0 h GLU 62 N 0.76 0.97 -0.49 1.13 5.08 -0.64 0.88 114.58 122.26 1pn0 h GLU 62 Ca 0.15 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1pn0 h GLU 62 Cb 0.45 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1pn0 h GLU 62 CO 0.02 0.75 0.02 0.77 -1.00 0.00 0.00 179.01 179.57 1pn0 h SER 63 N 0.94 0.83 -0.33 1.42 0.02 -0.69 -2.45 113.55 113.29 1pn0 h SER 63 Ca 0.24 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1pn0 h SER 63 Cb 0.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1pn0 h SER 63 CO -0.03 0.92 0.02 -0.07 -1.14 0.00 0.00 176.83 176.53 1pn0 h LEU 64 N 0.71 0.63 -0.49 5.07 3.38 -0.20 -1.75 115.31 122.67 1pn0 h LEU 64 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pn0 h LEU 64 Cb 0.49 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1pn0 h LEU 64 CO 0.02 0.69 0.32 0.50 0.09 0.00 0.00 178.44 180.07 1pn0 h LYS 65 N 0.64 0.65 0.00 1.13 1.63 -0.66 0.14 116.57 120.09 1pn0 h LYS 65 Ca 0.13 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1pn0 h LYS 65 Cb 0.37 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1pn0 h LYS 65 CO 0.01 0.44 0.00 0.09 -3.45 0.00 0.00 179.45 176.54 1pn0 n ASN 66 N -4.74 0.00 -0.85 4.20 5.03 -0.72 -0.88 115.26 117.30 1pn0 n ASN 66 Ca 0.02 0.34 0.09 0.00 0.87 0.00 0.00 54.58 55.90 1pn0 n ASN 66 Cb 0.02 -0.41 0.14 0.00 -1.02 0.00 0.00 39.78 38.51 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 -1.41 2.89 -0.21 3.41 4.77 -0.30 -0.33 117.00 125.81 1pn0 n LEU 67 Ca 0.04 -1.35 -0.03 0.00 -0.03 0.00 0.00 56.01 54.64 1pn0 n LEU 67 Cb 0.12 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1pn0 n LEU 67 CO 0.10 0.60 -0.03 0.61 -1.33 0.00 0.00 177.39 177.34 1pn0 n GLY 68 N 1.09 0.60 0.00 -0.72 0.00 -0.06 -4.93 105.19 101.17 1pn0 n GLY 68 Ca 0.14 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.31 0.22 -0.03 0.99 4.77 0.33 -4.76 117.00 118.21 1pn0 n LEU 69 Ca -0.03 -0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 55.58 1pn0 n LEU 69 Cb 0.10 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1pn0 n LEU 69 CO 0.04 0.05 0.68 0.00 -1.33 0.00 0.00 177.39 176.84 1pn0 h ALA 70 N 1.08 0.10 -0.84 -1.18 0.00 -1.81 -3.02 119.26 113.60 1pn0 h ALA 70 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1pn0 h ALA 70 Cb 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1pn0 h ALA 70 CO 0.00 -0.16 0.53 -0.44 0.00 0.00 0.00 179.25 179.18 1pn0 h ASP 71 N -0.21 0.99 -0.51 0.00 3.32 -1.91 0.15 116.42 118.26 1pn0 h ASP 71 Ca 0.02 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1pn0 h ASP 71 Cb 0.44 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1pn0 h ASP 71 CO 0.01 0.74 -0.10 0.11 -1.72 0.00 0.00 179.24 178.28 1pn0 h LYS 72 N 1.15 0.99 -0.27 3.56 1.57 -1.87 -1.63 116.57 120.08 1pn0 h LYS 72 Ca 0.31 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1pn0 h LYS 72 Cb -0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1pn0 h LYS 72 CO -0.06 1.03 -0.10 0.82 -0.57 0.00 0.00 179.45 180.57 1pn0 h ILE 73 N 0.88 1.29 0.00 1.86 2.04 -1.27 -2.92 117.51 119.40 1pn0 h ILE 73 Ca 0.14 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1pn0 h ILE 73 Cb 0.66 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1pn0 h ILE 73 CO 0.05 0.37 -0.07 -0.07 0.00 0.00 0.00 178.15 178.42 1pn0 h LEU 74 N 0.30 0.00 -2.12 1.44 3.38 -0.50 -0.95 115.31 116.86 1pn0 h LEU 74 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pn0 h LEU 74 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1pn0 h LEU 74 CO 0.03 0.07 0.00 0.77 0.09 0.00 0.00 178.44 179.40 1pn0 h SER 75 N 0.00 0.00 0.00 -0.43 4.64 -1.10 -3.26 113.55 113.40 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 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1pn0 h SER 75 CO 0.01 0.00 -0.98 -0.62 -0.87 0.00 0.00 176.83 174.37 1pn0 n GLU 76 N -2.82 3.82 -1.39 4.77 1.02 -0.57 -5.08 120.64 120.39 1pn0 n GLU 76 Ca -0.01 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 1pn0 n GLU 76 Cb 0.12 -0.99 0.07 0.00 -0.02 0.00 0.00 31.44 30.63 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 -1.98 2.43 -0.14 0.62 0.00 -0.47 -4.74 121.76 117.49 1pn0 s ALA 77 Ca 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 1pn0 s ALA 77 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1pn0 s ALA 77 CO 0.00 -1.54 -0.03 1.21 0.00 0.00 0.00 175.76 175.40 1pn0 s ASN 78 N -3.55 4.88 -0.46 0.00 2.47 0.14 -4.86 114.94 113.57 1pn0 s ASN 78 Ca 0.60 -0.06 -0.19 0.00 0.42 0.00 0.00 52.86 53.63 1pn0 s ASN 78 Cb -0.16 -1.67 0.04 0.00 -1.45 0.00 0.00 41.25 38.01 1pn0 s ASN 78 CO 0.55 0.23 0.56 -0.62 -3.72 0.00 0.00 177.10 174.10 1pn0 s ASP 79 N 0.03 6.24 0.61 -4.21 -1.08 -1.26 -0.92 116.67 116.07 1pn0 s ASP 79 Ca 0.01 -0.68 0.36 0.00 -0.52 0.00 0.00 52.55 51.72 1pn0 s ASP 79 Cb -0.13 -2.27 1.97 0.00 -1.46 0.00 0.00 42.92 41.03 1pn0 s ASP 79 CO 0.03 -0.75 2.25 0.24 0.52 0.00 0.00 175.17 177.46 1pn0 h MET 80 N 8.86 0.00 0.00 4.34 2.86 -1.85 -3.46 114.93 125.69 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 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1pn0 h MET 80 CO 0.88 0.02 0.00 0.43 1.06 0.00 0.00 176.91 179.31 1pn0 n SER 81 N -3.43 0.00 -4.27 1.22 7.64 -1.26 -4.02 113.62 109.50 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 0.13 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.19 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 1.67 -0.27 0.44 2.01 -1.26 -1.40 115.64 116.83 1pn0 s THR 82 Ca 0.00 -1.40 -0.03 0.00 0.31 0.00 0.00 61.69 60.56 1pn0 s THR 82 Cb 0.00 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1pn0 s THR 82 CO 0.00 0.04 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.33 1pn0 s ILE 83 N -1.02 3.26 -0.12 1.82 1.01 0.31 -1.82 121.20 124.63 1pn0 s ILE 83 Ca 0.07 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 1pn0 s ILE 83 Cb -0.09 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1pn0 s ILE 83 CO 0.03 0.14 0.30 0.00 0.00 0.00 0.00 174.94 175.41 1pn0 s ALA 84 N 1.38 3.65 -0.25 9.38 0.00 0.19 -1.23 121.76 134.88 1pn0 s ALA 84 Ca 0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 1pn0 s ALA 84 Cb -0.17 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1pn0 s ALA 84 CO -0.02 0.24 0.07 -0.51 0.00 0.00 0.00 175.76 175.54 1pn0 s LEU 85 N -0.03 3.49 -0.01 0.00 1.43 0.01 -1.06 118.68 122.50 1pn0 s LEU 85 Ca 0.18 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1pn0 s LEU 85 Cb -0.14 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1pn0 s LEU 85 CO 0.06 -0.02 -0.21 -0.31 0.23 0.00 0.00 176.35 176.10 1pn0 s TYR 86 N 1.54 2.49 0.20 0.29 1.51 0.21 -0.97 117.35 122.61 1pn0 s TYR 86 Ca 0.06 -0.32 -0.21 0.00 -1.01 0.00 0.00 57.07 55.59 1pn0 s TYR 86 Cb -0.15 -1.53 0.05 0.00 -0.11 0.00 0.00 41.96 40.22 1pn0 s TYR 86 CO 0.04 0.10 0.62 0.54 -1.11 0.00 0.00 175.55 175.73 1pn0 s ASN 87 N -0.84 -0.41 0.36 2.29 2.20 -0.90 -1.46 114.94 116.19 1pn0 s ASN 87 Ca 0.11 -0.29 -0.27 0.00 -0.94 0.00 0.00 52.86 51.48 1pn0 s ASN 87 Cb -0.10 0.63 -0.09 0.00 -2.00 0.00 0.00 41.25 39.69 1pn0 s ASN 87 CO 0.01 -1.10 1.16 -2.84 -2.94 0.00 0.00 177.10 171.39 1pn0 s PRO 88 N -3.83 4.25 0.00 3.55 0.02 -1.24 -1.87 135.00 135.88 1pn0 s PRO 88 Ca 0.06 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.94 1pn0 s PRO 88 Cb -0.02 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.64 1pn0 s PRO 88 CO -0.05 -0.15 0.00 -0.40 -0.33 0.00 0.00 177.00 176.07 1pn0 n ASP 89 N 0.45 0.00 0.03 2.53 5.68 -0.27 -4.88 116.55 120.09 1pn0 n ASP 89 Ca 0.02 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.21 1pn0 n ASP 89 Cb 0.46 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.39 1pn0 n ASP 89 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1pn0 h GLU 90 N 0.00 -0.11 -0.10 0.11 4.81 -1.97 -2.87 114.58 114.45 1pn0 h GLU 90 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1pn0 h GLU 90 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1pn0 h GLU 90 CO 0.00 -0.07 0.00 0.09 -0.73 0.00 0.00 179.01 178.30 1pn0 n ASN 91 N -5.20 0.67 -0.54 1.04 4.13 -1.26 -4.87 115.26 109.23 1pn0 n ASN 91 Ca -0.05 -1.79 -0.07 0.00 1.68 0.00 0.00 54.58 54.35 1pn0 n ASN 91 Cb 0.13 -0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 38.27 1pn0 n ASN 91 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pn0 n GLY 92 N 0.80 0.92 3.79 7.41 0.00 -1.08 -5.01 105.19 112.02 1pn0 n GLY 92 Ca 0.09 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.26 3.70 0.34 1.61 3.76 -1.26 -4.58 115.29 116.60 1pn0 s HIS 93 Ca 0.00 1.10 -0.26 0.00 -0.15 0.00 0.00 55.06 55.75 1pn0 s HIS 93 Cb 0.00 -2.47 -0.09 0.00 1.11 0.00 0.00 32.58 31.12 1pn0 s HIS 93 CO 0.00 0.47 1.00 0.96 -0.85 0.00 0.00 174.74 176.32 1pn0 s ILE 94 N -0.54 3.95 0.23 0.60 -4.36 -1.26 -1.11 121.20 118.71 1pn0 s ILE 94 Ca 0.27 1.62 -0.14 0.00 -0.26 0.00 0.00 60.65 62.14 1pn0 s ILE 94 Cb -0.17 -3.90 0.00 0.00 1.25 0.00 0.00 42.46 39.64 1pn0 s ILE 94 CO 0.15 0.13 0.48 0.00 0.24 0.00 0.00 174.94 175.95 1pn0 s ARG 95 N -2.10 1.49 -0.26 0.37 1.04 -0.78 -4.89 118.95 113.82 1pn0 s ARG 95 Ca 0.52 -1.14 -0.29 0.00 -1.04 0.00 0.00 55.73 53.78 1pn0 s ARG 95 Cb -0.22 0.48 0.01 0.00 -2.04 0.00 0.00 34.95 33.18 1pn0 s ARG 95 CO 0.27 -0.62 1.14 0.50 -0.04 0.00 0.00 175.30 176.56 1pn0 s ARG 96 N -3.97 4.13 -0.03 3.89 3.52 -1.26 -2.12 118.95 123.11 1pn0 s ARG 96 Ca 0.18 1.31 0.20 0.00 -0.13 0.00 0.00 55.73 57.29 1pn0 s ARG 96 Cb -0.01 -3.74 -0.31 0.00 -1.56 0.00 0.00 34.95 29.33 1pn0 s ARG 96 CO 0.05 -0.82 0.46 0.25 -0.81 0.00 0.00 175.30 174.44 1pn0 n THR 97 N 5.66 0.00 -3.55 4.11 -2.24 -0.15 -5.00 114.28 113.12 1pn0 n THR 97 Ca 0.13 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 1pn0 n THR 97 Cb 0.46 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1pn0 n THR 97 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pn0 s ASP 98 N -4.27 -0.38 -0.01 3.42 -1.08 -1.22 -5.03 116.67 108.10 1pn0 s ASP 98 Ca -0.07 -0.11 0.03 0.00 -0.52 0.00 0.00 52.55 51.88 1pn0 s ASP 98 Cb 0.13 0.49 -0.01 0.00 -1.46 0.00 0.00 42.92 42.07 1pn0 s ASP 98 CO 0.84 -0.82 -0.09 -0.13 0.52 0.00 0.00 175.17 175.49 1pn0 s ARG 99 N -3.38 0.76 0.09 4.34 0.52 -1.26 -0.81 118.95 119.21 1pn0 s ARG 99 Ca 0.06 -0.35 0.04 0.00 -0.52 0.00 0.00 55.73 54.96 1pn0 s ARG 99 Cb -0.01 -0.73 -0.03 0.00 0.52 0.00 0.00 34.95 34.69 1pn0 s ARG 99 CO -0.07 0.20 -0.11 0.96 0.02 0.00 0.00 175.30 176.30 1pn0 s ILE 100 N -0.25 0.98 0.31 1.52 -4.36 -0.37 -4.99 121.20 114.04 1pn0 s ILE 100 Ca 0.03 -1.56 -0.29 0.00 -0.26 0.00 0.00 60.65 58.57 1pn0 s ILE 100 Cb -0.04 -1.29 -0.10 0.00 1.25 0.00 0.00 42.46 42.29 1pn0 s ILE 100 CO -0.00 -0.49 1.23 -2.16 0.24 0.00 0.00 174.94 173.76 1pn0 s PRO 101 N -2.55 4.46 0.28 0.37 0.04 -1.26 -0.53 135.00 135.81 1pn0 s PRO 101 Ca 0.04 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.22 1pn0 s PRO 101 Cb -0.05 -3.12 0.41 0.00 0.04 0.00 0.00 34.50 31.78 1pn0 s PRO 101 CO 0.01 -0.04 1.65 0.22 0.04 0.00 0.00 177.00 178.88 1pn0 h ASP 102 N 3.56 0.14 -3.69 6.66 3.58 -1.51 -3.41 116.42 121.74 1pn0 h ASP 102 Ca -0.48 -0.07 -0.68 0.00 0.42 0.00 0.00 57.03 56.22 1pn0 h ASP 102 Cb 1.22 -0.04 -0.32 0.00 1.72 0.00 0.00 39.33 41.91 1pn0 h ASP 102 CO 0.66 0.64 -0.88 -0.89 -2.88 0.00 0.00 179.24 175.89 1pn0 s THR 103 N -3.87 2.04 0.08 2.25 2.01 -1.26 -4.87 115.64 112.02 1pn0 s THR 103 Ca -0.03 -1.04 -0.31 0.00 0.31 0.00 0.00 61.69 60.62 1pn0 s THR 103 Cb 0.13 -1.75 -0.08 0.00 0.01 0.00 0.00 72.50 70.81 1pn0 s THR 103 CO 0.77 0.56 1.55 -0.76 -0.69 0.00 0.00 174.62 176.05 1pn0 s LEU 104 N 0.08 4.36 0.28 4.42 1.43 -1.26 -4.91 118.68 123.07 1pn0 s LEU 104 Ca -0.11 2.42 -0.29 0.00 -1.03 0.00 0.00 54.13 55.12 1pn0 s LEU 104 Cb -0.16 -3.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.36 1pn0 s LEU 104 CO 0.06 -0.81 1.21 -2.65 0.23 0.00 0.00 176.35 174.39 1pn0 n PRO 105 N 4.97 1.74 -0.27 1.29 -0.02 -1.26 -2.18 135.00 139.26 1pn0 n PRO 105 Ca 0.14 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1pn0 n PRO 105 Cb 0.41 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.40 2.27 0.16 -1.23 0.00 -1.26 -4.89 105.19 101.63 1pn0 n GLY 106 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 1.12 -2.70 -0.61 2.10 -1.83 -3.46 117.51 112.15 1pn0 h ILE 107 Ca 0.00 -1.94 0.01 0.00 1.08 0.00 0.00 64.86 64.01 1pn0 h ILE 107 Cb 0.00 2.13 -0.14 0.00 -1.09 0.00 0.00 36.82 37.72 1pn0 h ILE 107 CO 0.00 0.51 0.29 -0.55 -1.08 0.00 0.00 178.15 177.32 1pn0 s SER 108 N -6.59 -0.52 0.19 2.19 0.15 -1.26 -5.01 113.70 102.86 1pn0 s SER 108 Ca 0.00 0.07 0.26 0.00 0.70 0.00 0.00 55.95 56.97 1pn0 s SER 108 Cb 0.11 0.53 0.89 0.00 -1.71 0.00 0.00 66.02 65.84 1pn0 s SER 108 CO 0.73 -0.83 1.77 -2.11 1.20 0.00 0.00 173.24 174.00 1pn0 n ARG 109 N -0.22 0.21 -3.88 5.44 1.85 -1.26 -4.73 116.66 114.07 1pn0 n ARG 109 Ca -0.15 0.23 -0.34 0.00 -1.00 0.00 0.00 57.85 56.59 1pn0 n ARG 109 Cb 0.63 -1.78 -0.05 0.00 -1.05 0.00 0.00 32.46 30.21 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 -3.13 3.57 0.14 2.89 2.02 -1.26 -5.11 117.35 116.47 1pn0 s TYR 110 Ca 0.10 0.42 0.04 0.00 -0.37 0.00 0.00 57.07 57.26 1pn0 s TYR 110 Cb 0.12 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 1pn0 s TYR 110 CO 0.54 0.67 0.19 -1.01 -1.57 0.00 0.00 175.55 174.36 1pn0 s HIS 111 N -1.25 3.29 0.39 2.71 3.76 -1.26 -4.73 115.29 118.21 1pn0 s HIS 111 Ca 0.24 0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 54.95 1pn0 s HIS 111 Cb -0.13 -1.59 -0.11 0.00 1.11 0.00 0.00 32.58 31.87 1pn0 s HIS 111 CO 0.15 0.52 1.18 0.94 -0.85 0.00 0.00 174.74 176.68 1pn0 n GLN 112 N -0.31 1.76 -4.14 1.40 7.27 -1.26 -4.73 117.38 117.37 1pn0 n GLN 112 Ca -0.08 0.63 -0.09 0.00 0.07 0.00 0.00 57.00 57.52 1pn0 n GLN 112 Cb 0.54 -2.23 -0.10 0.00 2.41 0.00 0.00 30.24 30.85 1pn0 n GLN 112 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1pn0 s VAL 113 N -1.19 0.18 0.02 1.69 -7.23 -0.68 -4.39 120.40 108.81 1pn0 s VAL 113 Ca 0.60 -1.90 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 1pn0 s VAL 113 Cb -0.55 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1pn0 s VAL 113 CO 0.59 -0.58 -0.18 0.68 -0.31 0.00 0.00 175.10 175.29 1pn0 s VAL 114 N -3.99 1.47 -0.23 1.32 -7.23 -0.09 -0.61 120.40 111.05 1pn0 s VAL 114 Ca 0.20 -1.02 -0.26 0.00 -1.81 0.00 0.00 61.98 59.09 1pn0 s VAL 114 Cb 0.07 -1.27 0.08 0.00 0.56 0.00 0.00 36.38 35.83 1pn0 s VAL 114 CO -0.01 0.23 0.80 -0.22 -0.31 0.00 0.00 175.10 175.59 1pn0 s LEU 115 N -0.92 -0.65 0.01 1.32 2.96 0.15 -0.68 118.68 120.87 1pn0 s LEU 115 Ca 0.06 1.13 -0.39 0.00 -0.22 0.00 0.00 54.13 54.71 1pn0 s LEU 115 Cb -0.08 2.32 -0.19 0.00 0.50 0.00 0.00 46.19 48.75 1pn0 s LEU 115 CO 0.01 -0.30 1.20 1.57 -1.32 0.00 0.00 176.35 177.51 1pn0 n HIS 116 N 2.14 1.04 -0.19 5.38 -0.00 -1.26 -4.27 115.22 118.05 1pn0 n HIS 116 Ca -0.14 0.89 0.08 0.00 -0.00 0.00 0.00 57.72 58.55 1pn0 n HIS 116 Cb 0.56 -2.19 0.37 0.00 -0.00 0.00 0.00 29.99 28.72 1pn0 n HIS 116 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1pn0 h GLN 117 N 3.74 0.70 -0.56 1.57 4.15 -1.81 -0.95 115.11 121.95 1pn0 h GLN 117 Ca -0.49 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 58.91 1pn0 h GLN 117 Cb 1.39 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 1pn0 h GLN 117 CO 0.71 0.47 0.37 0.78 -1.93 0.00 0.00 178.83 179.23 1pn0 h GLY 118 N 0.72 0.75 1.28 2.39 0.00 -1.88 0.93 103.07 107.27 1pn0 h GLY 118 Ca 0.33 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1pn0 h GLY 118 CO -0.12 0.23 -0.70 3.21 0.00 0.00 0.00 176.54 179.16 1pn0 h ARG 119 N 0.67 0.72 -0.25 4.80 2.47 -1.53 -1.20 114.38 120.06 1pn0 h ARG 119 Ca 0.22 -0.55 -0.01 0.00 -1.26 0.00 0.00 59.98 58.39 1pn0 h ARG 119 Cb 0.06 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1pn0 h ARG 119 CO -0.06 1.17 0.13 0.82 0.56 0.00 0.00 179.97 182.58 1pn0 h ILE 120 N 0.51 1.14 -0.83 2.04 2.04 -1.00 -2.22 117.51 119.20 1pn0 h ILE 120 Ca -0.03 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1pn0 h ILE 120 Cb 1.31 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 1pn0 h ILE 120 CO 0.14 0.14 0.43 -0.33 0.00 0.00 0.00 178.15 178.53 1pn0 h GLU 121 N 0.28 1.17 -0.63 2.37 5.08 -0.77 -1.95 114.58 120.12 1pn0 h GLU 121 Ca 0.09 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1pn0 h GLU 121 Cb 0.11 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1pn0 h GLU 121 CO -0.01 0.87 0.41 -0.09 -1.00 0.00 0.00 179.01 179.19 1pn0 h ARG 122 N 1.17 0.83 -0.59 2.33 9.65 -0.98 0.27 114.38 127.06 1pn0 h ARG 122 Ca 0.29 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.10 1pn0 h ARG 122 Cb 0.07 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 1pn0 h ARG 122 CO -0.04 0.56 0.33 0.00 2.80 0.00 0.00 179.97 183.62 1pn0 h ARG 123 N 0.85 0.82 -0.56 0.20 2.47 -0.88 -0.82 114.38 116.47 1pn0 h ARG 123 Ca 0.23 -0.09 -0.04 0.00 -1.26 0.00 0.00 59.98 58.81 1pn0 h ARG 123 Cb -0.09 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.05 1pn0 h ARG 123 CO -0.05 0.63 0.19 0.82 0.56 0.00 0.00 179.97 182.12 1pn0 h ILE 124 N 0.80 1.23 -0.87 2.04 2.04 -0.62 -2.34 117.51 119.79 1pn0 h ILE 124 Ca 0.21 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1pn0 h ILE 124 Cb 0.04 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1pn0 h ILE 124 CO -0.03 0.29 0.52 -0.07 0.00 0.00 0.00 178.15 178.85 1pn0 h LEU 125 N 0.77 1.06 -1.00 1.44 3.38 -0.20 0.90 115.31 121.66 1pn0 h LEU 125 Ca 0.18 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1pn0 h LEU 125 Cb 0.26 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1pn0 h LEU 125 CO -0.01 0.82 0.25 0.44 0.09 0.00 0.00 178.44 180.03 1pn0 h ASP 126 N 1.20 0.89 -0.28 -0.43 3.32 -0.98 -0.88 116.42 119.26 1pn0 h ASP 126 Ca 0.31 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 1pn0 h ASP 126 Cb -0.03 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1pn0 h ASP 126 CO -0.06 0.80 -0.30 -1.28 -1.72 0.00 0.00 179.24 176.68 1pn0 h SER 127 N 0.95 0.75 -0.57 6.45 0.87 -0.81 -1.48 113.55 119.70 1pn0 h SER 127 Ca 0.22 -0.48 0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1pn0 h SER 127 Cb 0.20 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 1pn0 h SER 127 CO -0.02 1.08 0.26 0.40 -0.53 0.00 0.00 176.83 178.02 1pn0 h ILE 128 N 0.44 0.87 -0.69 2.23 2.04 -0.52 0.79 117.51 122.67 1pn0 h ILE 128 Ca 0.04 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1pn0 h ILE 128 Cb 0.88 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1pn0 h ILE 128 CO 0.07 0.09 0.35 0.00 0.00 0.00 0.00 178.15 178.66 1pn0 h ALA 129 N 1.35 0.88 0.14 1.87 0.00 -1.00 -0.17 119.26 122.34 1pn0 h ALA 129 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pn0 h ALA 129 Cb 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pn0 h ALA 129 CO -0.23 0.43 -0.07 1.49 0.00 0.00 0.00 179.25 180.87 1pn0 h GLU 130 N 0.95 -0.18 -0.45 0.00 4.81 -0.68 0.21 114.58 119.25 1pn0 h GLU 130 Ca 0.24 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.34 1pn0 h GLU 130 Cb 0.09 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1pn0 h GLU 130 CO -0.03 0.17 -0.26 0.82 -0.73 0.00 0.00 179.01 178.97 1pn0 h ILE 131 N -0.55 1.27 -0.01 2.32 1.08 -0.77 -2.68 117.51 118.18 1pn0 h ILE 131 Ca -0.02 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.03 1pn0 h ILE 131 Cb 0.43 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1pn0 h ILE 131 CO 0.03 0.49 -0.04 -1.54 -0.69 0.00 0.00 178.15 176.40 1pn0 n SER 132 N -4.09 0.56 -3.69 1.72 3.41 -0.08 -4.58 113.62 106.86 1pn0 n SER 132 Ca -0.00 -0.94 -0.26 0.00 -0.26 0.00 0.00 58.87 57.41 1pn0 n SER 132 Cb 0.48 -0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.46 1pn0 n SER 132 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pn0 n ASP 133 N -0.69 -5.83 0.00 4.04 2.03 -0.65 -2.44 116.55 113.01 1pn0 n ASP 133 Ca 0.19 -0.61 0.00 0.00 0.52 0.00 0.00 54.79 54.89 1pn0 n ASP 133 Cb 0.24 -4.70 0.00 0.00 -0.72 0.00 0.00 41.12 35.94 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 -4.90 0.00 0.11 5.18 -2.24 0.65 -4.89 114.28 108.19 1pn0 n THR 134 Ca 0.01 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 1pn0 n THR 134 Cb 0.55 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1pn0 n THR 134 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1pn0 h ARG 135 N 1.47 0.00 -5.03 -0.78 3.08 -1.75 -3.41 114.38 107.95 1pn0 h ARG 135 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1pn0 h ARG 135 Cb 0.13 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.02 1pn0 h ARG 135 CO 0.00 0.72 -0.32 0.42 -1.07 0.00 0.00 179.97 179.73 1pn0 s ILE 136 N -2.92 5.20 -0.01 2.04 1.01 -1.26 -5.03 121.20 120.23 1pn0 s ILE 136 Ca 0.02 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1pn0 s ILE 136 Cb 0.09 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1pn0 s ILE 136 CO 0.78 0.09 -0.08 -0.54 0.00 0.00 0.00 174.94 175.19 1pn0 s LYS 137 N 1.99 0.65 0.15 2.79 1.02 -1.26 -4.69 119.74 120.38 1pn0 s LYS 137 Ca 0.12 -0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.52 1pn0 s LYS 137 Cb -0.16 -0.63 -0.09 0.00 -0.52 0.00 0.00 37.83 36.43 1pn0 s LYS 137 CO 0.11 0.17 1.45 0.08 -0.92 0.00 0.00 175.35 176.24 1pn0 s VAL 138 N -0.17 3.02 -0.25 3.17 1.01 -1.26 -4.44 120.40 121.48 1pn0 s VAL 138 Ca 0.03 0.74 -0.10 0.00 0.00 0.00 0.00 61.98 62.66 1pn0 s VAL 138 Cb -0.03 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1pn0 s VAL 138 CO -0.00 0.06 0.14 -1.61 0.00 0.00 0.00 175.10 173.69 1pn0 s GLU 139 N 0.95 3.93 0.02 2.72 2.02 -0.08 -5.00 118.70 123.26 1pn0 s GLU 139 Ca 0.66 -0.34 -0.17 0.00 0.02 0.00 0.00 54.97 55.14 1pn0 s GLU 139 Cb -0.40 -3.49 0.03 0.00 0.10 0.00 0.00 34.13 30.37 1pn0 s GLU 139 CO 0.32 -0.04 0.38 -0.98 0.02 0.00 0.00 175.26 174.95 1pn0 s ARG 140 N 1.32 0.82 -0.24 1.61 1.70 -1.26 -1.45 118.95 121.45 1pn0 s ARG 140 Ca 0.06 -0.28 -0.16 0.00 -0.47 0.00 0.00 55.73 54.89 1pn0 s ARG 140 Cb -0.15 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 1pn0 s ARG 140 CO 0.06 -0.26 0.39 -1.25 -1.08 0.00 0.00 175.30 173.16 1pn0 s PRO 141 N -1.99 4.10 0.09 3.89 0.04 -1.26 -5.04 135.00 134.82 1pn0 s PRO 141 Ca -0.09 0.14 0.05 0.00 0.04 0.00 0.00 61.00 61.14 1pn0 s PRO 141 Cb -0.02 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 1pn0 s PRO 141 CO 0.01 -0.16 -0.13 -0.51 0.04 0.00 0.00 177.00 176.24 1pn0 s LEU 142 N 1.71 2.33 -0.15 -3.56 1.02 -0.62 -1.22 118.68 118.20 1pn0 s LEU 142 Ca 0.17 -0.70 -0.10 0.00 0.02 0.00 0.00 54.13 53.53 1pn0 s LEU 142 Cb -0.15 -0.47 0.05 0.00 0.02 0.00 0.00 46.19 45.64 1pn0 s LEU 142 CO 0.09 -0.13 0.37 -0.51 0.02 0.00 0.00 176.35 176.18 1pn0 s ILE 143 N -1.70 -0.02 0.42 -0.59 2.07 -0.77 -2.66 121.20 117.96 1pn0 s ILE 143 Ca 0.02 0.07 -0.25 0.00 -1.41 0.00 0.00 60.65 59.08 1pn0 s ILE 143 Cb -0.07 -0.53 -0.08 0.00 0.13 0.00 0.00 42.46 41.90 1pn0 s ILE 143 CO 0.02 0.03 1.20 -2.84 -1.91 0.00 0.00 174.94 171.43 1pn0 s PRO 144 N 0.92 3.92 0.00 3.50 0.02 -1.26 -0.39 135.00 141.72 1pn0 s PRO 144 Ca -0.06 1.89 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1pn0 s PRO 144 Cb -0.07 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.85 1pn0 s PRO 144 CO -0.07 -0.44 0.00 0.39 -0.33 0.00 0.00 177.00 176.55 1pn0 n GLU 145 N -0.11 2.22 -3.70 5.54 1.02 0.63 -4.86 120.64 121.38 1pn0 n GLU 145 Ca 0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 1pn0 n GLU 145 Cb 0.46 -0.83 -0.09 0.00 -0.02 0.00 0.00 31.44 30.96 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 -1.64 0.64 -0.05 3.49 2.20 -1.20 -4.99 119.74 118.18 1pn0 s LYS 146 Ca 0.00 0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1pn0 s LYS 146 Cb 0.00 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1pn0 s LYS 146 CO 0.00 -0.12 -0.01 1.41 -0.36 0.00 0.00 175.35 176.27 1pn0 s MET 147 N -0.18 0.56 -0.08 4.03 -2.45 -1.26 -0.95 119.30 118.97 1pn0 s MET 147 Ca -0.04 0.04 0.04 0.00 -1.25 0.00 0.00 55.69 54.48 1pn0 s MET 147 Cb -0.03 -0.76 0.00 0.00 1.25 0.00 0.00 34.83 35.29 1pn0 s MET 147 CO 0.02 -0.18 -0.20 -1.21 1.05 0.00 0.00 175.02 174.50 1pn0 s GLU 148 N 1.36 2.42 -0.13 4.11 2.02 -0.04 -4.99 118.70 123.45 1pn0 s GLU 148 Ca -0.05 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.26 1pn0 s GLU 148 Cb -0.13 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.19 1pn0 s GLU 148 CO -0.02 0.17 -0.21 0.42 0.02 0.00 0.00 175.26 175.64 1pn0 s ILE 149 N 0.34 1.93 -0.64 -1.63 1.01 -1.26 -0.79 121.20 120.16 1pn0 s ILE 149 Ca -0.14 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.45 1pn0 s ILE 149 Cb -0.16 -1.72 0.16 0.00 0.01 0.00 0.00 42.46 40.75 1pn0 s ILE 149 CO 0.06 0.53 0.61 -0.62 0.00 0.00 0.00 174.94 175.52 1pn0 s ASP 150 N 0.82 6.39 0.58 3.58 -1.08 -0.27 -4.91 116.67 121.78 1pn0 s ASP 150 Ca -0.08 -2.07 0.36 0.00 -0.52 0.00 0.00 52.55 50.24 1pn0 s ASP 150 Cb -0.16 -2.22 1.67 0.00 -1.46 0.00 0.00 42.92 40.76 1pn0 s ASP 150 CO -0.01 -0.78 2.10 0.28 0.52 0.00 0.00 175.17 177.28 1pn0 h SER 151 N 8.54 0.00 0.89 -0.34 0.02 -1.98 -2.08 113.55 118.60 1pn0 h SER 151 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1pn0 h SER 151 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1pn0 h SER 151 CO 0.95 0.02 0.00 0.77 -1.14 0.00 0.00 176.83 177.43 1pn0 h SER 152 N 0.00 0.00 -0.51 3.07 4.64 -1.98 -2.71 113.55 116.06 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 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1pn0 h SER 152 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1pn0 n LYS 153 N -2.56 2.61 -0.25 4.77 5.02 -0.78 -4.70 118.16 122.27 1pn0 n LYS 153 Ca 0.02 -2.33 0.15 0.00 -2.02 0.00 0.00 58.31 54.12 1pn0 n LYS 153 Cb 0.27 -1.45 0.43 0.00 -0.02 0.00 0.00 35.03 34.26 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 3.56 1.97 -0.26 7.82 0.00 -1.56 -2.23 119.26 128.56 1pn0 h ALA 154 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pn0 h ALA 154 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pn0 h ALA 154 CO 0.00 -0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.41 1pn0 n GLU 155 N -4.55 2.43 -2.88 0.00 -0.58 -1.26 -4.88 120.64 108.93 1pn0 n GLU 155 Ca 0.18 -2.13 -0.42 0.00 -0.42 0.00 0.00 57.16 54.36 1pn0 n GLU 155 Cb 0.55 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.67 6.66 0.56 1.62 -1.08 -0.84 -4.92 116.67 116.99 1pn0 s ASP 156 Ca 0.35 0.58 0.35 0.00 -0.52 0.00 0.00 52.55 53.31 1pn0 s ASP 156 Cb 0.22 -2.43 1.47 0.00 -1.46 0.00 0.00 42.92 40.71 1pn0 s ASP 156 CO 0.31 -0.75 2.02 1.55 0.52 0.00 0.00 175.17 178.82 1pn0 h PRO 157 N 8.34 0.00 -0.00 4.34 0.13 -1.89 -2.33 132.00 140.58 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 0.94 0.00 -0.52 0.39 -0.23 0.00 0.00 178.00 178.58 1pn0 n GLU 158 N -3.09 0.37 -2.50 0.86 -0.58 -1.26 -4.97 120.64 109.46 1pn0 n GLU 158 Ca 0.00 -0.25 -0.27 0.00 -0.42 0.00 0.00 57.16 56.22 1pn0 n GLU 158 Cb 0.28 -1.49 0.01 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 -2.80 3.35 -0.67 0.62 0.00 -0.88 -5.04 121.76 116.35 1pn0 s ALA 159 Ca 0.15 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1pn0 s ALA 159 Cb 0.18 -2.61 0.16 0.00 0.00 0.00 0.00 23.12 20.85 1pn0 s ALA 159 CO 0.67 -0.55 0.45 0.71 0.00 0.00 0.00 175.76 177.03 1pn0 s TYR 160 N -2.86 3.50 -0.78 0.00 1.51 -1.26 -4.59 117.35 112.87 1pn0 s TYR 160 Ca 0.50 -3.31 0.21 0.00 -1.01 0.00 0.00 57.07 53.47 1pn0 s TYR 160 Cb -0.10 -2.74 0.86 0.00 -0.11 0.00 0.00 41.96 39.87 1pn0 s TYR 160 CO 0.45 -0.59 1.66 -2.30 -1.11 0.00 0.00 175.55 173.67 1pn0 n PRO 161 N 2.21 0.11 -3.96 -1.71 -0.02 -1.15 -4.51 135.00 125.97 1pn0 n PRO 161 Ca 0.17 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 1pn0 n PRO 161 Cb 0.34 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 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 -3.13 2.83 -0.31 -1.45 1.01 -0.84 -1.11 120.40 117.40 1pn0 s VAL 162 Ca 0.07 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1pn0 s VAL 162 Cb 0.11 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1pn0 s VAL 162 CO 0.39 0.11 0.28 -0.89 0.00 0.00 0.00 175.10 174.99 1pn0 s THR 163 N 1.29 5.24 -0.17 3.92 2.01 0.03 0.24 115.64 128.20 1pn0 s THR 163 Ca -0.02 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 1pn0 s THR 163 Cb -0.18 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1pn0 s THR 163 CO -0.04 0.07 -0.02 -0.04 -0.69 0.00 0.00 174.62 173.90 1pn0 s MET 164 N 1.88 3.71 -0.25 4.92 -1.94 0.39 -0.86 119.30 127.14 1pn0 s MET 164 Ca 0.10 -0.49 -0.09 0.00 -1.71 0.00 0.00 55.69 53.49 1pn0 s MET 164 Cb -0.16 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 1pn0 s MET 164 CO 0.11 0.21 0.11 0.99 -0.01 0.00 0.00 175.02 176.43 1pn0 s THR 165 N 0.46 4.75 -0.05 2.05 2.01 -0.12 0.36 115.64 125.09 1pn0 s THR 165 Ca -0.02 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1pn0 s THR 165 Cb -0.14 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1pn0 s THR 165 CO 0.02 0.32 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.38 1pn0 s LEU 166 N 1.50 2.77 -0.15 4.42 1.43 0.87 -0.27 118.68 129.26 1pn0 s LEU 166 Ca 0.06 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1pn0 s LEU 166 Cb -0.15 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1pn0 s LEU 166 CO 0.06 0.34 -0.03 -0.60 0.23 0.00 0.00 176.35 176.36 1pn0 s ARG 167 N -0.72 3.59 -0.28 1.70 3.52 0.48 -0.48 118.95 126.75 1pn0 s ARG 167 Ca 0.11 -0.49 -0.25 0.00 -0.13 0.00 0.00 55.73 54.97 1pn0 s ARG 167 Cb -0.11 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 1pn0 s ARG 167 CO 0.01 0.31 0.87 0.71 -0.81 0.00 0.00 175.30 176.39 1pn0 s TYR 168 N 0.18 3.24 0.45 5.12 1.51 -0.27 -1.84 117.35 125.73 1pn0 s TYR 168 Ca -0.01 1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 57.06 1pn0 s TYR 168 Cb -0.14 -3.25 -0.01 0.00 -0.11 0.00 0.00 41.96 38.45 1pn0 s TYR 168 CO 0.03 -0.54 0.69 -1.64 -1.11 0.00 0.00 175.55 172.97 1pn0 s MET 169 N 3.05 3.22 0.58 -0.62 -1.94 -0.36 -3.89 119.30 119.34 1pn0 s MET 169 Ca 0.36 -0.29 -0.07 0.00 -1.71 0.00 0.00 55.69 53.99 1pn0 s MET 169 Cb -0.14 -2.52 -0.01 0.00 2.01 0.00 0.00 34.83 34.17 1pn0 s MET 169 CO 0.11 -0.21 0.90 -1.54 -0.01 0.00 0.00 175.02 174.27 1pn0 s SER 170 N -4.17 5.79 0.18 3.03 1.04 -1.26 -4.68 113.70 113.63 1pn0 s SER 170 Ca 0.47 0.86 -0.13 0.00 0.48 0.00 0.00 55.95 57.63 1pn0 s SER 170 Cb -0.10 -1.92 0.13 0.00 0.10 0.00 0.00 66.02 64.24 1pn0 s SER 170 CO 0.39 -0.96 1.78 -0.08 0.98 0.00 0.00 173.24 175.36 1pn0 h GLU 171 N -0.13 0.44 -0.56 4.02 4.81 -1.98 -2.62 114.58 118.55 1pn0 h GLU 171 Ca -0.46 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 1pn0 h GLU 171 Cb 1.24 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1pn0 h GLU 171 CO 0.61 0.29 0.32 -0.44 -0.73 0.00 0.00 179.01 179.06 1pn0 h ASP 172 N 0.45 0.50 -0.77 1.04 3.32 -1.95 -1.94 116.42 117.07 1pn0 h ASP 172 Ca 0.22 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.31 1pn0 h ASP 172 Cb 0.15 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1pn0 h ASP 172 CO -0.17 0.34 0.51 -0.33 -1.72 0.00 0.00 179.24 177.87 1pn0 h GLU 173 N 0.62 0.93 -0.00 3.56 5.08 -1.86 -2.35 114.58 120.56 1pn0 h GLU 173 Ca 0.23 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1pn0 h GLU 173 Cb 0.07 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1pn0 h GLU 173 CO -0.12 0.61 -0.06 -1.13 -1.00 0.00 0.00 179.01 177.31 1pn0 n SER 174 N -4.45 0.19 -4.62 1.42 3.41 -0.78 -4.47 113.62 104.32 1pn0 n SER 174 Ca 0.10 -0.28 -0.40 0.00 -0.26 0.00 0.00 58.87 58.03 1pn0 n SER 174 Cb 0.10 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 1pn0 n SER 174 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pn0 s THR 175 N -2.57 5.02 0.63 6.66 2.01 -0.89 -1.55 115.64 124.95 1pn0 s THR 175 Ca 0.27 1.03 -0.15 0.00 0.31 0.00 0.00 61.69 63.15 1pn0 s THR 175 Cb 0.20 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1pn0 s THR 175 CO 0.48 0.05 1.09 -2.84 -0.69 0.00 0.00 174.62 172.70 1pn0 s PRO 176 N 2.43 3.03 0.69 4.92 0.02 -1.26 -5.02 135.00 139.82 1pn0 s PRO 176 Ca 0.24 1.32 -0.13 0.00 0.02 0.00 0.00 61.00 62.46 1pn0 s PRO 176 Cb -0.16 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.39 1pn0 s PRO 176 CO 0.09 -1.05 1.08 -0.51 -0.33 0.00 0.00 177.00 176.27 1pn0 s LEU 177 N -4.67 3.22 0.00 -5.54 1.43 -1.26 -4.98 118.68 106.88 1pn0 s LEU 177 Ca 0.66 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1pn0 s LEU 177 Cb -0.19 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.51 1pn0 s LEU 177 CO 0.39 -1.63 0.30 0.00 0.23 0.00 0.00 176.35 175.64 1pn0 n GLN 178 N -2.90 0.21 -2.70 1.70 1.13 -1.26 -4.49 117.38 109.07 1pn0 n GLN 178 Ca 0.09 -0.30 -0.21 0.00 -1.94 0.00 0.00 57.00 54.64 1pn0 n GLN 178 Cb 0.53 -0.78 0.01 0.00 0.11 0.00 0.00 30.24 30.11 1pn0 n GLN 178 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1pn0 n PHE 179 N -0.12 -1.47 -0.72 1.08 3.72 -1.26 -2.92 117.46 115.77 1pn0 n PHE 179 Ca 0.00 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 1pn0 n PHE 179 Cb 0.06 -4.15 0.00 0.00 -0.94 0.00 0.00 39.48 34.45 1pn0 n PHE 179 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pn0 n GLY 180 N -1.24 1.27 3.73 1.37 0.00 -1.26 -4.46 105.19 104.60 1pn0 n GLY 180 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1pn0 n GLY 180 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pn0 s HIS 181 N -3.41 3.80 0.25 1.61 3.76 -1.15 -4.95 115.29 115.20 1pn0 s HIS 181 Ca 0.00 1.72 0.09 0.00 -0.15 0.00 0.00 55.06 56.72 1pn0 s HIS 181 Cb 0.00 -2.99 0.28 0.00 1.11 0.00 0.00 32.58 30.98 1pn0 s HIS 181 CO 0.00 0.23 1.57 0.87 -0.85 0.00 0.00 174.74 176.56 1pn0 h LYS 182 N 5.56 0.06 -6.47 1.40 1.57 -1.94 -3.43 116.57 113.32 1pn0 h LYS 182 Ca -0.43 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 57.77 1pn0 h LYS 182 Cb 1.21 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1pn0 h LYS 182 CO 0.71 0.69 0.35 0.99 -0.57 0.00 0.00 179.45 181.62 1pn0 s THR 183 N -3.57 4.71 0.41 -0.16 2.01 -1.26 -4.99 115.64 112.79 1pn0 s THR 183 Ca -0.02 2.04 -0.26 0.00 0.31 0.00 0.00 61.69 63.76 1pn0 s THR 183 Cb 0.12 -4.31 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 1pn0 s THR 183 CO 0.78 0.24 1.31 1.21 -0.69 0.00 0.00 174.62 177.46 1pn0 n GLU 184 N 3.38 2.05 -3.78 4.92 2.13 -1.26 -4.85 120.64 123.23 1pn0 n GLU 184 Ca 0.04 0.73 -0.10 0.00 0.66 0.00 0.00 57.16 58.49 1pn0 n GLU 184 Cb 0.50 -2.42 -0.06 0.00 0.27 0.00 0.00 31.44 29.73 1pn0 n GLU 184 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1pn0 s ASN 185 N -0.46 -0.07 -0.23 4.31 2.20 -1.26 -2.59 114.94 116.84 1pn0 s ASN 185 Ca 0.59 -0.55 0.14 0.00 -0.94 0.00 0.00 52.86 52.11 1pn0 s ASN 185 Cb -0.51 0.44 0.74 0.00 -2.00 0.00 0.00 41.25 39.92 1pn0 s ASN 185 CO 0.59 -0.85 1.67 0.61 -2.94 0.00 0.00 177.10 176.19 1pn0 n GLY 186 N -0.19 3.34 0.36 0.45 0.00 -0.54 -4.63 105.19 103.99 1pn0 n GLY 186 Ca -0.13 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 3.31 0.52 -1.97 0.99 3.38 -1.90 -1.45 115.31 118.20 1pn0 h LEU 187 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1pn0 h LEU 187 Cb 1.87 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 1pn0 h LEU 187 CO 0.44 0.30 -0.10 2.19 0.09 0.00 0.00 178.44 181.36 1pn0 h PHE 188 N 0.57 0.00 -0.11 1.13 -0.00 -1.82 -2.68 116.94 114.03 1pn0 h PHE 188 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.31 1pn0 h PHE 188 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.52 1pn0 h PHE 188 CO -0.00 0.10 0.00 2.89 -0.00 0.00 0.00 178.31 181.30 1pn0 n ARG 189 N -3.93 2.06 -2.13 6.09 1.85 -0.59 -4.83 116.66 115.18 1pn0 n ARG 189 Ca -0.02 -2.60 -0.27 0.00 -1.00 0.00 0.00 57.85 53.96 1pn0 n ARG 189 Cb 0.20 -1.59 0.07 0.00 -1.05 0.00 0.00 32.46 30.08 1pn0 n ARG 189 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1pn0 s SER 190 N -2.35 4.75 0.00 2.89 1.04 -0.95 -4.94 113.70 114.14 1pn0 s SER 190 Ca 0.34 0.54 0.01 0.00 0.48 0.00 0.00 55.95 57.32 1pn0 s SER 190 Cb 0.28 -1.16 0.09 0.00 0.10 0.00 0.00 66.02 65.33 1pn0 s SER 190 CO 0.06 -1.67 1.04 -0.46 0.98 0.00 0.00 173.24 173.19 1pn0 n ASN 191 N -3.02 0.00 0.17 7.02 0.23 -1.26 -2.01 115.26 116.39 1pn0 n ASN 191 Ca 0.08 -1.92 0.05 0.00 -0.53 0.00 0.00 54.58 52.26 1pn0 n ASN 191 Cb 0.61 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.47 1pn0 n ASN 191 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1pn0 h LEU 192 N 0.00 0.00 -9.62 -4.53 3.38 -1.85 -3.45 115.31 99.24 1pn0 h LEU 192 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1pn0 h LEU 192 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1pn0 h LEU 192 CO 0.00 0.38 0.55 -1.58 0.09 0.00 0.00 178.44 177.88 1pn0 s GLN 193 N -3.19 4.49 0.47 1.13 2.00 -0.85 -4.99 119.66 118.72 1pn0 s GLN 193 Ca 0.03 1.83 -0.04 0.00 -2.00 0.00 0.00 55.36 55.18 1pn0 s GLN 193 Cb 0.08 -3.27 -0.03 0.00 0.80 0.00 0.00 33.01 30.59 1pn0 s GLN 193 CO 0.71 -0.10 0.77 0.95 -0.50 0.00 0.00 175.29 177.11 1pn0 s THR 194 N 0.15 4.84 0.41 -0.34 -4.23 -1.26 -4.95 115.64 110.27 1pn0 s THR 194 Ca 0.54 0.10 0.15 0.00 -1.18 0.00 0.00 61.69 61.30 1pn0 s THR 194 Cb -0.31 -3.83 0.16 0.00 1.34 0.00 0.00 72.50 69.85 1pn0 s THR 194 CO 0.35 -0.79 1.94 0.06 -0.54 0.00 0.00 174.62 175.64 1pn0 h GLN 195 N 0.26 0.00 -0.25 3.99 3.07 -1.96 0.05 115.11 120.27 1pn0 h GLN 195 Ca -0.47 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.15 1pn0 h GLN 195 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.77 1pn0 h GLN 195 CO 0.61 0.25 -0.32 0.93 0.09 0.00 0.00 178.83 180.39 1pn0 h GLU 196 N 0.00 0.65 -0.58 0.06 3.07 -1.98 -1.90 114.58 113.91 1pn0 h GLU 196 Ca -0.00 -0.37 -0.06 0.00 -0.50 0.00 0.00 59.36 58.42 1pn0 h GLU 196 Cb 0.45 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 1pn0 h GLU 196 CO 0.03 0.98 0.11 0.93 -1.40 0.00 0.00 179.01 179.67 1pn0 h GLU 197 N 0.37 0.91 -0.05 2.33 5.08 -1.84 -0.41 114.58 120.98 1pn0 h GLU 197 Ca 0.03 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1pn0 h GLU 197 Cb 0.90 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1pn0 h GLU 197 CO 0.08 0.84 -0.00 1.49 -1.00 0.00 0.00 179.01 180.41 1pn0 h GLU 198 N 0.87 0.01 -0.11 2.33 4.57 -0.83 -0.91 114.58 120.52 1pn0 h GLU 198 Ca 0.18 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1pn0 h GLU 198 Cb 0.36 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1pn0 h GLU 198 CO 0.00 0.01 0.07 -0.44 -1.18 0.00 0.00 179.01 177.47 1pn0 h ASP 199 N 0.01 0.13 -0.61 1.04 3.32 -1.09 -3.13 116.42 116.09 1pn0 h ASP 199 Ca 0.02 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1pn0 h ASP 199 Cb 0.02 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1pn0 h ASP 199 CO -0.04 0.14 0.31 0.00 -1.72 0.00 0.00 179.24 177.93 1pn0 h ALA 200 N 1.00 1.35 0.00 3.45 0.00 -0.84 -3.07 119.26 121.14 1pn0 h ALA 200 Ca 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1pn0 h ALA 200 Cb 0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1pn0 h ALA 200 CO -0.01 0.51 -0.14 -0.91 0.00 0.00 0.00 179.25 178.70 1pn0 h ASN 201 N 0.89 0.00 -0.33 0.00 2.35 -1.11 -2.90 115.58 114.49 1pn0 h ASN 201 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1pn0 h ASN 201 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1pn0 h ASN 201 CO -0.03 0.14 0.00 -1.22 -1.65 0.00 0.00 177.43 174.67 1pn0 n TYR 202 N -3.73 0.52 -1.84 1.19 4.02 -1.16 -4.89 117.16 111.26 1pn0 n TYR 202 Ca -0.02 -0.55 -0.32 0.00 -0.01 0.00 0.00 57.90 57.00 1pn0 n TYR 202 Cb 0.25 -0.07 0.03 0.00 -0.02 0.00 0.00 39.34 39.53 1pn0 n TYR 202 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1pn0 s ARG 203 N -1.26 3.08 -0.16 -0.72 1.81 -1.10 -4.89 118.95 115.71 1pn0 s ARG 203 Ca 0.25 1.18 -0.29 0.00 -1.72 0.00 0.00 55.73 55.15 1pn0 s ARG 203 Cb 0.15 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.62 1pn0 s ARG 203 CO 0.14 -1.00 1.45 -1.17 -0.68 0.00 0.00 175.30 174.04 1pn0 s LEU 204 N -4.88 4.13 0.74 2.53 2.96 -1.26 -4.95 118.68 117.94 1pn0 s LEU 204 Ca 0.63 1.77 -0.15 0.00 -0.22 0.00 0.00 54.13 56.16 1pn0 s LEU 204 Cb -0.16 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1pn0 s LEU 204 CO 0.43 -0.94 1.24 -2.84 -1.32 0.00 0.00 176.35 172.92 1pn0 s PRO 205 N 3.96 2.05 0.24 0.98 0.02 -1.26 -4.92 135.00 136.07 1pn0 s PRO 205 Ca 0.63 1.88 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 1pn0 s PRO 205 Cb -0.25 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.34 1pn0 s PRO 205 CO 0.23 -1.93 1.62 0.39 -0.33 0.00 0.00 177.00 176.97 1pn0 n GLU 206 N -2.69 2.59 0.00 5.54 1.02 -1.26 -2.78 120.64 123.06 1pn0 n GLU 206 Ca 0.14 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.21 1pn0 n GLU 206 Cb 0.50 -2.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 1pn0 n GLU 206 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pn0 n GLY 207 N 2.99 3.06 3.81 0.62 0.00 -1.26 -5.05 105.19 109.35 1pn0 n GLY 207 Ca 0.13 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 3.66 0.01 1.61 1.02 -1.12 -5.07 119.74 119.86 1pn0 s LYS 208 Ca 0.00 1.24 0.03 0.00 0.02 0.00 0.00 55.97 57.26 1pn0 s LYS 208 Cb 0.00 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1pn0 s LYS 208 CO 0.00 -0.53 -0.05 -1.83 -0.92 0.00 0.00 175.35 172.02 1pn0 s GLU 209 N -3.65 2.58 0.44 1.68 -1.05 -1.26 -4.82 118.70 112.61 1pn0 s GLU 209 Ca 0.65 -0.72 -0.24 0.00 -0.15 0.00 0.00 54.97 54.50 1pn0 s GLU 209 Cb -0.15 -2.53 -0.08 0.00 -0.44 0.00 0.00 34.13 30.93 1pn0 s GLU 209 CO 0.27 0.60 1.22 0.00 0.95 0.00 0.00 175.26 178.30 1pn0 s ALA 210 N -1.05 3.09 0.06 -0.84 0.00 -1.26 -4.94 121.76 116.81 1pn0 s ALA 210 Ca 0.18 1.07 -0.23 0.00 0.00 0.00 0.00 51.96 52.98 1pn0 s ALA 210 Cb -0.11 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.43 1pn0 s ALA 210 CO 0.09 -0.74 1.58 0.78 0.00 0.00 0.00 175.76 177.47 1pn0 h GLY 211 N 2.33 0.10 -5.19 0.00 0.00 -1.94 -3.34 103.07 95.02 1pn0 h GLY 211 Ca -0.49 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 1pn0 h GLY 211 CO 0.61 0.05 -0.24 1.85 0.00 0.00 0.00 176.54 178.81 1pn0 s GLU 212 N -5.47 0.49 -0.20 4.80 2.12 -1.26 -1.18 118.70 118.00 1pn0 s GLU 212 Ca -0.14 0.52 0.01 0.00 0.36 0.00 0.00 54.97 55.72 1pn0 s GLU 212 Cb 0.05 0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.72 1pn0 s GLU 212 CO 0.68 -0.06 -0.12 0.42 -0.54 0.00 0.00 175.26 175.63 1pn0 s ILE 213 N 0.12 1.77 -0.18 -3.70 -1.09 -0.28 -1.12 121.20 116.73 1pn0 s ILE 213 Ca -0.01 -1.06 -0.03 0.00 -2.23 0.00 0.00 60.65 57.32 1pn0 s ILE 213 Cb -0.03 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 39.03 1pn0 s ILE 213 CO 0.01 0.21 -0.05 -0.70 -1.23 0.00 0.00 174.94 173.18 1pn0 s GLU 214 N 1.35 3.53 -0.36 2.79 2.12 0.37 -1.47 118.70 127.03 1pn0 s GLU 214 Ca -0.01 -0.58 -0.19 0.00 0.36 0.00 0.00 54.97 54.55 1pn0 s GLU 214 Cb -0.16 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.31 1pn0 s GLU 214 CO -0.09 0.07 0.57 0.99 -0.54 0.00 0.00 175.26 176.27 1pn0 s THR 215 N 0.79 4.95 -0.24 -1.70 2.01 0.10 -0.09 115.64 121.46 1pn0 s THR 215 Ca -0.02 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 1pn0 s THR 215 Cb -0.15 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1pn0 s THR 215 CO 0.02 -0.29 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.92 1pn0 s VAL 216 N 2.55 3.14 -0.20 3.82 1.01 0.16 -1.29 120.40 129.58 1pn0 s VAL 216 Ca 0.21 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 1pn0 s VAL 216 Cb -0.15 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1pn0 s VAL 216 CO 0.14 0.28 0.81 -1.00 0.00 0.00 0.00 175.10 175.34 1pn0 s HIS 217 N 1.40 3.37 -0.01 5.22 3.76 -0.05 -0.47 115.29 128.51 1pn0 s HIS 217 Ca 0.03 1.17 0.07 0.00 -0.15 0.00 0.00 55.06 56.18 1pn0 s HIS 217 Cb -0.16 -3.01 -0.02 0.00 1.11 0.00 0.00 32.58 30.51 1pn0 s HIS 217 CO -0.04 -0.30 -0.24 0.00 -0.85 0.00 0.00 174.74 173.32 1pn0 h LYS 219 N 5.47 0.74 -3.53 0.00 1.57 -1.33 -2.19 116.57 117.30 1pn0 h LYS 219 Ca -0.42 -0.56 -0.16 0.00 -1.87 0.00 0.00 60.65 57.64 1pn0 h LYS 219 Cb 1.13 0.10 -0.22 0.00 0.08 0.00 0.00 32.23 33.33 1pn0 h LYS 219 CO 0.47 1.18 -0.52 0.71 -0.57 0.00 0.00 179.45 180.72 1pn0 s TYR 220 N -3.84 0.02 -0.02 -1.35 2.02 -0.13 -4.59 117.35 109.47 1pn0 s TYR 220 Ca -0.09 -0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 1pn0 s TYR 220 Cb 0.09 -0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.62 1pn0 s TYR 220 CO 0.89 -0.23 -0.08 0.08 -1.57 0.00 0.00 175.55 174.64 1pn0 s VAL 221 N -1.08 0.71 -0.23 0.71 1.01 -0.61 -1.18 120.40 119.72 1pn0 s VAL 221 Ca -0.12 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1pn0 s VAL 221 Cb -0.06 -0.63 0.05 0.00 0.00 0.00 0.00 36.38 35.73 1pn0 s VAL 221 CO 0.01 0.22 -0.14 -0.63 0.00 0.00 0.00 175.10 174.57 1pn0 s ILE 222 N 0.19 2.18 -0.58 2.22 1.01 -0.08 -0.81 121.20 125.34 1pn0 s ILE 222 Ca -0.03 -1.38 -0.27 0.00 0.00 0.00 0.00 60.65 58.97 1pn0 s ILE 222 Cb -0.08 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.27 1pn0 s ILE 222 CO 0.00 0.16 1.12 -0.83 0.00 0.00 0.00 174.94 175.40 1pn0 s GLY 223 N 1.17 1.20 -0.38 6.18 0.00 0.24 -0.78 107.32 114.96 1pn0 s GLY 223 Ca -0.04 -0.96 0.05 0.00 0.00 0.00 0.00 44.72 43.77 1pn0 s GLY 223 CO -0.08 2.38 1.24 0.00 0.00 0.00 0.00 173.10 176.64 1pn0 n ASP 225 N -0.64 4.92 0.00 0.00 5.75 -1.03 -4.31 116.55 121.25 1pn0 n ASP 225 Ca 0.44 -3.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 1pn0 n ASP 225 Cb 0.82 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.09 -2.47 0.35 6.12 0.00 -1.26 -3.96 105.19 103.89 1pn0 n GLY 226 Ca 0.40 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 0.49 -3.50 -0.02 0.00 -1.93 0.31 103.07 98.42 1pn0 h GLY 227 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 1pn0 h GLY 227 CO 0.00 0.08 0.13 1.42 0.00 0.00 0.00 176.54 178.17 1pn0 n HIS 228 N -4.46 2.20 -0.30 5.60 8.25 -1.26 -4.79 115.22 120.46 1pn0 n HIS 228 Ca 0.09 -0.97 -0.14 0.00 -0.26 0.00 0.00 57.72 56.44 1pn0 n HIS 228 Cb 0.39 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 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 0.17 0.19 -0.16 0.41 2.88 0.08 -4.82 113.62 112.36 1pn0 n SER 229 Ca 0.34 0.17 -0.04 0.00 -1.33 0.00 0.00 58.87 58.01 1pn0 n SER 229 Cb 1.28 -0.20 0.16 0.00 -0.75 0.00 0.00 64.21 64.70 1pn0 n SER 229 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1pn0 h TRP 230 N 1.83 0.94 -0.09 0.66 7.01 -1.88 -2.14 115.95 122.27 1pn0 h TRP 230 Ca -0.04 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 60.87 1pn0 h TRP 230 Cb 0.31 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1pn0 h TRP 230 CO 0.20 0.77 0.04 0.28 -2.79 0.00 0.00 178.44 176.95 1pn0 h VAL 231 N 0.88 1.11 -0.26 2.65 2.07 -1.95 -0.01 116.25 120.75 1pn0 h VAL 231 Ca 0.19 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1pn0 h VAL 231 Cb 0.30 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1pn0 h VAL 231 CO -0.00 0.10 0.05 -0.09 0.02 0.00 0.00 177.57 177.65 1pn0 h ARG 232 N 0.02 0.14 -0.24 1.57 2.43 -1.87 -0.26 114.38 116.18 1pn0 h ARG 232 Ca 0.03 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1pn0 h ARG 232 Cb 0.12 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1pn0 h ARG 232 CO -0.00 0.10 -0.13 0.00 -1.51 0.00 0.00 179.97 178.42 1pn0 h ARG 233 N 0.15 0.40 -0.12 0.20 3.08 -1.26 -1.24 114.38 115.59 1pn0 h ARG 233 Ca 0.12 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1pn0 h ARG 233 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1pn0 h ARG 233 CO -0.15 0.54 -0.54 1.15 -1.07 0.00 0.00 179.97 179.89 1pn0 h THR 234 N 0.38 1.35 0.00 2.04 2.02 -0.46 -2.29 112.91 115.94 1pn0 h THR 234 Ca 0.07 -1.83 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 1pn0 h THR 234 Cb 0.46 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1pn0 h THR 234 CO 0.03 0.55 -0.02 -0.07 0.37 0.00 0.00 175.52 176.38 1pn0 h LEU 235 N 0.27 0.00 0.00 2.58 3.38 -0.39 -3.47 115.31 117.69 1pn0 h LEU 235 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pn0 h LEU 235 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1pn0 h LEU 235 CO 0.09 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1pn0 n GLY 236 N 0.18 0.42 3.59 0.83 0.00 -0.53 -5.00 105.19 104.67 1pn0 n GLY 236 Ca 0.01 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1pn0 n GLY 236 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pn0 s PHE 237 N -2.00 2.85 0.53 1.61 0.08 -0.91 -5.01 117.98 115.13 1pn0 s PHE 237 Ca 0.00 0.57 -0.20 0.00 0.12 0.00 0.00 56.93 57.42 1pn0 s PHE 237 Cb 0.00 -4.27 -0.06 0.00 -0.57 0.00 0.00 43.02 38.12 1pn0 s PHE 237 CO 0.00 -1.22 1.15 -2.00 -0.10 0.00 0.00 175.22 173.05 1pn0 s GLU 238 N 4.21 3.39 -0.07 0.44 2.12 -1.26 -4.72 118.70 122.80 1pn0 s GLU 238 Ca 0.44 1.67 0.03 0.00 0.36 0.00 0.00 54.97 57.46 1pn0 s GLU 238 Cb -0.08 -2.07 -0.02 0.00 0.26 0.00 0.00 34.13 32.21 1pn0 s GLU 238 CO 0.30 -0.83 -0.14 -1.64 -0.54 0.00 0.00 175.26 172.41 1pn0 s MET 239 N -3.18 2.73 -0.10 4.30 -1.94 -1.26 -4.05 119.30 115.80 1pn0 s MET 239 Ca 0.72 -0.68 -0.00 0.00 -1.71 0.00 0.00 55.69 54.01 1pn0 s MET 239 Cb -0.25 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.11 1pn0 s MET 239 CO 0.29 0.53 -0.07 0.42 -0.01 0.00 0.00 175.02 176.18 1pn0 s ILE 240 N -0.47 3.68 0.00 2.53 1.01 -0.36 -4.85 121.20 122.74 1pn0 s ILE 240 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1pn0 s ILE 240 Cb -0.12 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1pn0 s ILE 240 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1pn0 n GLY 241 N 2.71 4.44 3.26 6.18 0.00 -1.26 -2.19 105.19 118.33 1pn0 n GLY 241 Ca -0.18 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.38 1.25 0.04 1.61 2.56 -1.22 -4.86 118.70 114.71 1pn0 s GLU 242 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 54.97 53.72 1pn0 s GLU 242 Cb 0.00 -1.42 -0.06 0.00 2.00 0.00 0.00 34.13 34.65 1pn0 s GLU 242 CO 0.00 0.35 0.72 -1.14 -0.56 0.00 0.00 175.26 174.63 1pn0 s GLN 243 N -1.47 4.45 0.54 4.30 0.74 -1.26 -3.90 119.66 123.06 1pn0 s GLN 243 Ca 0.07 0.98 -0.06 0.00 0.05 0.00 0.00 55.36 56.40 1pn0 s GLN 243 Cb -0.09 -3.34 0.12 0.00 1.10 0.00 0.00 33.01 30.79 1pn0 s GLN 243 CO 0.03 0.34 0.73 0.25 -0.55 0.00 0.00 175.29 176.09 1pn0 n THR 244 N 2.64 0.00 1.14 -0.34 -2.24 0.06 -4.99 114.28 110.55 1pn0 n THR 244 Ca -0.04 -0.78 0.12 0.00 -2.27 0.00 0.00 64.05 61.08 1pn0 n THR 244 Cb 0.50 -1.41 0.20 0.00 -2.10 0.00 0.00 70.33 67.53 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 -3.26 1.98 -4.76 3.42 8.00 -1.26 -4.63 116.55 116.05 1pn0 n ASP 245 Ca 0.10 -1.51 -0.41 0.00 0.71 0.00 0.00 54.79 53.68 1pn0 n ASP 245 Cb 0.36 0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.26 2.91 -0.03 1.24 2.02 -1.26 -4.79 117.35 115.17 1pn0 s TYR 246 Ca 0.26 1.13 0.02 0.00 -0.37 0.00 0.00 57.07 58.11 1pn0 s TYR 246 Cb 0.19 -3.85 0.01 0.00 -0.40 0.00 0.00 41.96 37.91 1pn0 s TYR 246 CO 0.44 -2.62 -0.06 -1.50 -1.57 0.00 0.00 175.55 170.24 1pn0 s ILE 247 N -0.55 0.58 0.14 2.71 1.10 -1.26 -2.14 121.20 121.78 1pn0 s ILE 247 Ca 0.56 -0.21 0.06 0.00 -0.51 0.00 0.00 60.65 60.54 1pn0 s ILE 247 Cb -0.43 -0.55 -0.04 0.00 0.15 0.00 0.00 42.46 41.59 1pn0 s ILE 247 CO 0.51 0.21 -0.15 0.26 -2.11 0.00 0.00 174.94 173.66 1pn0 s TRP 248 N 0.46 1.48 0.34 3.50 0.52 0.05 -0.33 118.94 124.96 1pn0 s TRP 248 Ca -0.06 -0.55 0.09 0.00 0.02 0.00 0.00 56.10 55.59 1pn0 s TRP 248 Cb -0.10 -0.76 -0.06 0.00 -1.15 0.00 0.00 33.47 31.40 1pn0 s TRP 248 CO 0.00 0.18 -0.01 0.20 0.02 0.00 0.00 176.95 177.34 1pn0 s GLY 249 N -2.58 2.11 -0.03 0.98 0.00 0.16 -1.28 107.32 106.69 1pn0 s GLY 249 Ca 0.11 -2.00 0.01 0.00 0.00 0.00 0.00 44.72 42.84 1pn0 s GLY 249 CO 0.04 -1.94 -0.02 0.14 0.00 0.00 0.00 173.10 171.32 1pn0 s VAL 250 N -2.55 0.27 -0.11 1.40 1.01 -0.06 -0.08 120.40 120.28 1pn0 s VAL 250 Ca 0.34 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1pn0 s VAL 250 Cb 0.01 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.08 1pn0 s VAL 250 CO 0.19 0.15 -0.16 -0.76 0.00 0.00 0.00 175.10 174.51 1pn0 s LEU 251 N 0.74 1.76 -0.43 3.92 1.43 -0.37 -1.49 118.68 124.24 1pn0 s LEU 251 Ca -0.08 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 1pn0 s LEU 251 Cb -0.11 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.04 1pn0 s LEU 251 CO -0.01 0.02 0.31 -1.81 0.23 0.00 0.00 176.35 175.10 1pn0 s ASP 252 N 0.96 5.96 0.06 2.29 1.11 -0.49 -0.46 116.67 126.11 1pn0 s ASP 252 Ca -0.07 -1.21 -0.04 0.00 0.18 0.00 0.00 52.55 51.41 1pn0 s ASP 252 Cb -0.15 -2.11 -0.02 0.00 1.07 0.00 0.00 42.92 41.71 1pn0 s ASP 252 CO -0.01 -0.54 0.06 0.00 1.18 0.00 0.00 175.17 175.86 1pn0 s ALA 253 N 1.59 0.22 -0.37 5.23 0.00 -0.33 -0.86 121.76 127.23 1pn0 s ALA 253 Ca 0.04 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 1pn0 s ALA 253 Cb -0.22 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1pn0 s ALA 253 CO 0.06 -0.42 0.51 0.08 0.00 0.00 0.00 175.76 176.00 1pn0 s VAL 254 N -3.88 5.00 0.53 0.00 1.01 -0.00 0.14 120.40 123.20 1pn0 s VAL 254 Ca 0.06 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1pn0 s VAL 254 Cb 0.07 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1pn0 s VAL 254 CO -0.10 -0.30 0.87 -2.16 0.00 0.00 0.00 175.10 173.41 1pn0 s PRO 255 N 2.40 3.58 -0.31 2.72 0.04 -1.26 0.06 135.00 142.24 1pn0 s PRO 255 Ca 0.18 0.41 -0.00 0.00 0.04 0.00 0.00 61.00 61.63 1pn0 s PRO 255 Cb -0.16 -2.27 0.10 0.00 0.04 0.00 0.00 34.50 32.21 1pn0 s PRO 255 CO 0.14 -0.32 0.08 0.00 0.04 0.00 0.00 177.00 176.94 1pn0 s ALA 256 N -2.87 1.70 -0.04 8.56 0.00 0.14 -4.65 121.76 124.60 1pn0 s ALA 256 Ca 0.50 -1.73 -0.22 0.00 0.00 0.00 0.00 51.96 50.51 1pn0 s ALA 256 Cb -0.11 -1.64 0.04 0.00 0.00 0.00 0.00 23.12 21.42 1pn0 s ALA 256 CO 0.47 -1.63 0.48 0.45 0.00 0.00 0.00 175.76 175.53 1pn0 s SER 257 N 1.53 -0.41 -0.05 0.00 0.15 -1.26 -0.54 113.70 113.12 1pn0 s SER 257 Ca 0.09 0.42 0.21 0.00 0.70 0.00 0.00 55.95 57.37 1pn0 s SER 257 Cb -0.17 0.46 0.69 0.00 -1.71 0.00 0.00 66.02 65.28 1pn0 s SER 257 CO -0.22 -0.50 1.58 -0.46 1.20 0.00 0.00 173.24 174.85 1pn0 n ASN 258 N 1.21 4.31 -4.68 5.45 6.94 -1.24 -4.93 115.26 122.33 1pn0 n ASN 258 Ca -0.20 -2.18 -0.42 0.00 -0.02 0.00 0.00 54.58 51.76 1pn0 n ASN 258 Cb 0.56 -0.53 -0.03 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.35 2.21 0.42 -2.53 5.36 -1.26 -4.87 117.98 115.95 1pn0 s PHE 259 Ca 0.51 0.15 0.10 0.00 -0.96 0.00 0.00 56.93 56.73 1pn0 s PHE 259 Cb 0.29 -4.04 0.93 0.00 -0.34 0.00 0.00 43.02 39.86 1pn0 s PHE 259 CO 0.30 -4.26 2.03 -1.35 -1.46 0.00 0.00 175.22 170.48 1pn0 h PRO 260 N 8.71 0.48 -0.65 10.12 0.11 -1.99 -2.84 132.00 145.94 1pn0 h PRO 260 Ca -0.44 -0.03 -0.39 0.00 0.11 0.00 0.00 66.00 65.25 1pn0 h PRO 260 Cb 1.21 -0.11 -0.23 0.00 0.11 0.00 0.00 31.00 31.98 1pn0 h PRO 260 CO 0.94 0.32 0.11 -0.25 -0.21 0.00 0.00 178.00 178.91 1pn0 n ASP 261 N -4.48 4.01 0.30 -2.05 8.00 -1.26 -4.70 116.55 116.38 1pn0 n ASP 261 Ca 0.06 -3.76 0.15 0.00 0.71 0.00 0.00 54.79 51.95 1pn0 n ASP 261 Cb 0.18 -0.69 0.92 0.00 -0.02 0.00 0.00 41.12 41.51 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 1.18 0.52 -0.55 0.53 6.09 -1.90 -1.41 117.51 121.98 1pn0 h ILE 262 Ca 0.39 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.87 1pn0 h ILE 262 Cb 1.72 1.01 0.00 0.00 0.47 0.00 0.00 36.82 40.02 1pn0 h ILE 262 CO 0.80 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 176.42 1pn0 n ARG 263 N -3.84 2.62 -4.11 2.19 5.12 -1.26 -4.75 116.66 112.63 1pn0 n ARG 263 Ca -0.03 -2.48 -0.25 0.00 -1.93 0.00 0.00 57.85 53.16 1pn0 n ARG 263 Cb 0.08 -1.55 -0.05 0.00 -1.16 0.00 0.00 32.46 29.78 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 -1.27 5.41 0.43 0.55 0.15 -0.53 -4.69 113.70 113.76 1pn0 s SER 264 Ca 0.44 -0.21 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 1pn0 s SER 264 Cb 0.24 -1.37 -0.08 0.00 -1.71 0.00 0.00 66.02 63.10 1pn0 s SER 264 CO 0.33 0.04 1.27 -0.60 1.20 0.00 0.00 173.24 175.48 1pn0 s ARG 265 N -3.30 3.83 -0.00 5.44 3.52 -0.76 -4.41 118.95 123.27 1pn0 s ARG 265 Ca 0.31 2.07 -0.10 0.00 -0.13 0.00 0.00 55.73 57.88 1pn0 s ARG 265 Cb -0.09 -2.62 0.01 0.00 -1.56 0.00 0.00 34.95 30.69 1pn0 s ARG 265 CO 0.23 -0.58 0.21 0.00 -0.81 0.00 0.00 175.30 174.35 1pn0 s ALA 267 N -1.46 2.31 -0.14 0.00 0.00 -0.22 -1.29 121.76 120.95 1pn0 s ALA 267 Ca -0.14 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1pn0 s ALA 267 Cb -0.06 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.11 1pn0 s ALA 267 CO 0.02 0.19 -0.15 0.42 0.00 0.00 0.00 175.76 176.24 1pn0 s ILE 268 N 0.48 1.62 -0.30 0.00 1.01 0.15 -0.62 121.20 123.53 1pn0 s ILE 268 Ca -0.14 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1pn0 s ILE 268 Cb -0.17 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.80 1pn0 s ILE 268 CO 0.05 0.47 0.13 -1.00 0.00 0.00 0.00 174.94 174.59 1pn0 s HIS 269 N 1.38 3.16 0.57 3.97 3.76 -0.53 -0.91 115.29 126.68 1pn0 s HIS 269 Ca 0.03 -0.67 -0.05 0.00 -0.15 0.00 0.00 55.06 54.22 1pn0 s HIS 269 Cb -0.13 -2.32 0.01 0.00 1.11 0.00 0.00 32.58 31.24 1pn0 s HIS 269 CO -0.09 -0.48 0.88 -1.54 -0.85 0.00 0.00 174.74 172.65 1pn0 s SER 270 N 1.58 5.64 0.18 1.40 1.04 -0.76 -3.64 113.70 119.14 1pn0 s SER 270 Ca 0.04 0.68 -0.13 0.00 0.48 0.00 0.00 55.95 57.02 1pn0 s SER 270 Cb -0.17 -1.71 0.11 0.00 0.10 0.00 0.00 66.02 64.35 1pn0 s SER 270 CO 0.05 -1.01 1.81 0.00 0.98 0.00 0.00 173.24 175.07 1pn0 h ALA 271 N -0.11 0.67 0.00 5.32 0.00 -1.87 -3.39 119.26 119.88 1pn0 h ALA 271 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1pn0 h ALA 271 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1pn0 h ALA 271 CO 0.60 -0.01 0.00 0.39 0.00 0.00 0.00 179.25 180.23 1pn0 n GLU 272 N -4.82 0.00 -0.07 0.00 -0.58 -1.26 -4.64 120.64 109.28 1pn0 n GLU 272 Ca 0.04 -0.07 0.08 0.00 -0.42 0.00 0.00 57.16 56.79 1pn0 n GLU 272 Cb 0.09 -0.41 0.11 0.00 -0.57 0.00 0.00 31.44 30.66 1pn0 n GLU 272 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1pn0 n SER 273 N 0.00 2.57 0.00 1.62 7.64 -1.26 -5.09 113.62 119.10 1pn0 n SER 273 Ca 0.00 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.14 1pn0 n SER 273 Cb 0.29 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1pn0 n SER 273 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn0 n GLY 274 N 0.88 -1.74 3.66 0.23 0.00 -1.26 -4.81 105.19 102.15 1pn0 n GLY 274 Ca 0.11 -2.17 -0.24 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.18 4.36 0.02 1.61 0.01 -1.26 -1.83 113.70 114.42 1pn0 s SER 275 Ca 0.00 -0.87 0.03 0.00 1.31 0.00 0.00 55.95 56.41 1pn0 s SER 275 Cb 0.00 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.59 1pn0 s SER 275 CO 0.00 -0.20 -0.08 -0.63 0.41 0.00 0.00 173.24 172.73 1pn0 s ILE 276 N -2.46 0.62 -0.12 1.44 1.01 -0.09 -1.33 121.20 120.27 1pn0 s ILE 276 Ca 0.35 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1pn0 s ILE 276 Cb -0.02 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.87 1pn0 s ILE 276 CO 0.20 -0.06 -0.23 -0.32 0.00 0.00 0.00 174.94 174.53 1pn0 s MET 277 N -0.80 3.04 -0.21 2.79 -2.45 -0.10 -0.68 119.30 120.90 1pn0 s MET 277 Ca -0.02 -0.87 -0.10 0.00 -1.25 0.00 0.00 55.69 53.46 1pn0 s MET 277 Cb -0.06 -2.35 -0.05 0.00 1.25 0.00 0.00 34.83 33.62 1pn0 s MET 277 CO 0.00 0.11 0.13 0.42 1.05 0.00 0.00 175.02 176.73 1pn0 s ILE 278 N 0.52 5.30 -0.41 10.11 1.01 -0.41 -0.80 121.20 136.51 1pn0 s ILE 278 Ca -0.14 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1pn0 s ILE 278 Cb -0.17 -3.44 0.12 0.00 0.01 0.00 0.00 42.46 38.98 1pn0 s ILE 278 CO 0.05 0.41 0.16 -0.63 0.00 0.00 0.00 174.94 174.93 1pn0 s ILE 279 N 0.63 2.04 0.20 2.92 -1.09 0.32 -2.01 121.20 124.22 1pn0 s ILE 279 Ca 0.07 -2.59 -0.30 0.00 -2.23 0.00 0.00 60.65 55.60 1pn0 s ILE 279 Cb -0.12 -2.47 -0.09 0.00 -1.58 0.00 0.00 42.46 38.20 1pn0 s ILE 279 CO 0.01 -0.73 1.29 -2.16 -1.23 0.00 0.00 174.94 172.11 1pn0 s PRO 280 N 0.49 4.41 0.22 2.79 0.04 -1.26 -0.69 135.00 141.00 1pn0 s PRO 280 Ca 0.14 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.22 1pn0 s PRO 280 Cb -0.22 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1pn0 s PRO 280 CO -0.06 -0.21 0.08 0.54 0.04 0.00 0.00 177.00 177.38 1pn0 n ARG 281 N 2.49 1.33 -1.40 4.56 5.12 -0.20 -4.72 116.66 123.84 1pn0 n ARG 281 Ca 0.05 -1.50 -0.31 0.00 -1.93 0.00 0.00 57.85 54.17 1pn0 n ARG 281 Cb 0.43 0.29 0.09 0.00 -1.16 0.00 0.00 32.46 32.11 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 -2.85 2.24 -1.48 5.56 1.03 -1.26 -4.30 118.70 117.64 1pn0 s GLU 282 Ca 0.06 0.93 -0.07 0.00 0.03 0.00 0.00 54.97 55.92 1pn0 s GLU 282 Cb -0.00 -1.91 0.06 0.00 -0.80 0.00 0.00 34.13 31.47 1pn0 s GLU 282 CO 0.04 -1.59 0.70 0.09 -1.33 0.00 0.00 175.26 173.17 1pn0 n ASN 283 N -3.45 -2.25 0.00 0.83 3.02 -1.26 -1.37 115.26 110.78 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 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -2.89 -0.85 -4.84 6.41 3.02 -1.26 -4.99 115.26 109.86 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 -1.58 -0.01 0.00 -0.61 0.00 0.00 39.78 38.18 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 3.51 -0.01 3.41 1.43 -0.47 -4.46 118.68 122.09 1pn0 s LEU 285 Ca 0.00 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 1pn0 s LEU 285 Cb 0.00 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.73 1pn0 s LEU 285 CO 0.00 -0.79 0.01 -0.69 0.23 0.00 0.00 176.35 175.11 1pn0 s VAL 286 N -2.70 0.01 -0.11 -1.59 1.01 0.12 -1.03 120.40 116.10 1pn0 s VAL 286 Ca 0.59 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 1pn0 s VAL 286 Cb -0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 1pn0 s VAL 286 CO 0.37 0.06 0.29 -0.60 0.00 0.00 0.00 175.10 175.22 1pn0 s ARG 287 N 0.55 4.02 -0.18 2.72 3.52 0.13 -1.19 118.95 128.53 1pn0 s ARG 287 Ca -0.05 0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.69 1pn0 s ARG 287 Cb -0.07 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1pn0 s ARG 287 CO -0.01 0.45 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.68 1pn0 s PHE 288 N -0.19 2.78 -0.30 5.12 0.40 0.39 -0.52 117.98 125.67 1pn0 s PHE 288 Ca 0.18 -1.53 -0.17 0.00 -0.60 0.00 0.00 56.93 54.80 1pn0 s PHE 288 Cb -0.14 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 1pn0 s PHE 288 CO 0.06 -0.75 0.48 0.71 0.70 0.00 0.00 175.22 176.42 1pn0 s TYR 289 N 1.24 3.23 -0.19 0.36 1.51 0.02 -1.24 117.35 122.28 1pn0 s TYR 289 Ca 0.03 0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1pn0 s TYR 289 Cb -0.13 -2.77 0.03 0.00 -0.11 0.00 0.00 41.96 38.98 1pn0 s TYR 289 CO -0.10 -0.37 -0.15 0.08 -1.11 0.00 0.00 175.55 173.89 1pn0 s VAL 290 N 2.28 1.87 0.33 0.71 1.01 0.89 -0.92 120.40 126.56 1pn0 s VAL 290 Ca 0.19 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 1pn0 s VAL 290 Cb -0.16 -1.79 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 1pn0 s VAL 290 CO 0.11 0.37 1.20 -1.58 0.00 0.00 0.00 175.10 175.19 1pn0 s GLN 291 N 1.34 4.39 0.31 2.72 0.74 -0.44 0.40 119.66 129.11 1pn0 s GLN 291 Ca 0.02 1.97 0.08 0.00 0.05 0.00 0.00 55.36 57.48 1pn0 s GLN 291 Cb -0.15 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 1pn0 s GLN 291 CO -0.10 -0.07 0.11 -0.51 -0.55 0.00 0.00 175.29 174.17 1pn0 s LEU 292 N -1.83 3.31 -0.73 3.68 1.43 0.55 -4.73 118.68 120.36 1pn0 s LEU 292 Ca 0.49 -0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 52.66 1pn0 s LEU 292 Cb -0.35 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1pn0 s LEU 292 CO 0.45 -0.18 1.75 -1.10 0.23 0.00 0.00 176.35 177.50 1pn0 s GLN 293 N -3.80 2.78 0.00 1.70 1.11 -1.26 -4.51 119.66 115.68 1pn0 s GLN 293 Ca 0.35 0.12 0.00 0.00 0.01 0.00 0.00 55.36 55.84 1pn0 s GLN 293 Cb -0.04 -4.59 0.00 0.00 -1.01 0.00 0.00 33.01 27.37 1pn0 s GLN 293 CO 0.22 -2.75 0.00 0.00 0.01 0.00 0.00 175.29 172.77 1pn0 n ALA 294 N 12.18 0.00 -1.56 6.09 0.00 -1.26 -5.06 120.51 130.90 1pn0 n ALA 294 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 1pn0 n ALA 294 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.99 1pn0 n ALA 294 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pn0 s ARG 301 N -1.45 2.97 0.02 0.00 0.52 -1.26 -4.51 118.95 115.24 1pn0 s ARG 301 Ca 0.00 1.27 -0.28 0.00 -0.52 0.00 0.00 55.73 56.19 1pn0 s ARG 301 Cb 0.00 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.45 1pn0 s ARG 301 CO 0.00 -1.10 0.90 0.14 0.02 0.00 0.00 175.30 175.27 1pn0 s VAL 302 N -2.48 4.80 -0.38 3.52 -7.23 -1.26 -4.99 120.40 112.37 1pn0 s VAL 302 Ca 0.64 1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 62.44 1pn0 s VAL 302 Cb -0.18 -4.25 0.01 0.00 0.56 0.00 0.00 36.38 32.52 1pn0 s VAL 302 CO 0.42 0.24 1.42 -0.62 -0.31 0.00 0.00 175.10 176.24 1pn0 s ASP 303 N 0.61 6.38 0.48 4.85 -1.08 -1.26 -4.90 116.67 121.74 1pn0 s ASP 303 Ca 0.47 0.95 0.21 0.00 -0.52 0.00 0.00 52.55 53.66 1pn0 s ASP 303 Cb -0.21 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 39.91 1pn0 s ASP 303 CO 0.26 -1.38 2.01 0.03 0.52 0.00 0.00 175.17 176.61 1pn0 h ARG 304 N 10.55 0.00 0.00 4.34 3.08 -1.94 -0.42 114.38 129.99 1pn0 h ARG 304 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1pn0 h ARG 304 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1pn0 h ARG 304 CO 1.07 0.18 0.00 1.79 -1.07 0.00 0.00 179.97 181.94 1pn0 h THR 305 N 0.00 0.00 -0.02 2.04 1.35 -1.91 -2.89 112.91 111.49 1pn0 h THR 305 Ca -0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1pn0 h THR 305 Cb 0.39 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1pn0 h THR 305 CO 0.02 0.00 -0.40 0.29 -0.25 0.00 0.00 175.52 175.19 1pn0 n LYS 306 N -2.97 1.28 -2.87 4.72 5.02 -0.20 -4.72 118.16 118.42 1pn0 n LYS 306 Ca 0.02 -1.03 -0.43 0.00 -2.02 0.00 0.00 58.31 54.84 1pn0 n LYS 306 Cb 0.35 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1pn0 n LYS 306 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1pn0 s PHE 307 N -2.43 3.01 0.31 2.13 2.19 -0.99 -4.94 117.98 117.26 1pn0 s PHE 307 Ca 0.20 -1.25 0.07 0.00 0.33 0.00 0.00 56.93 56.28 1pn0 s PHE 307 Cb 0.18 -4.34 -0.02 0.00 -1.31 0.00 0.00 43.02 37.53 1pn0 s PHE 307 CO 0.54 -1.56 0.33 0.95 1.83 0.00 0.00 175.22 177.31 1pn0 s THR 308 N 3.10 4.09 0.28 0.12 -4.23 -1.26 -5.00 115.64 112.73 1pn0 s THR 308 Ca 0.33 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1pn0 s THR 308 Cb -0.05 -3.38 0.28 0.00 1.34 0.00 0.00 72.50 70.69 1pn0 s THR 308 CO -0.08 -0.22 1.87 -0.65 -0.54 0.00 0.00 174.62 174.99 1pn0 h PRO 309 N 1.18 1.03 -0.65 3.99 0.11 -1.99 -2.13 132.00 133.54 1pn0 h PRO 309 Ca -0.47 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.66 1pn0 h PRO 309 Cb 1.25 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 1pn0 h PRO 309 CO 0.58 0.68 0.32 0.93 -0.21 0.00 0.00 178.00 180.30 1pn0 h GLU 310 N 1.06 0.56 -0.36 1.05 3.07 -1.98 0.29 114.58 118.27 1pn0 h GLU 310 Ca 0.46 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1pn0 h GLU 310 Cb 0.34 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1pn0 h GLU 310 CO -0.21 0.37 0.22 0.28 -1.40 0.00 0.00 179.01 178.27 1pn0 h VAL 311 N 0.58 1.12 -0.37 3.13 2.07 -1.76 0.43 116.25 121.45 1pn0 h VAL 311 Ca 0.31 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1pn0 h VAL 311 Cb 0.28 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1pn0 h VAL 311 CO -0.23 0.12 0.18 0.58 0.02 0.00 0.00 177.57 178.24 1pn0 h VAL 312 N 0.47 1.17 -0.81 2.57 2.07 -0.97 -2.66 116.25 118.08 1pn0 h VAL 312 Ca 0.13 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1pn0 h VAL 312 Cb -0.00 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1pn0 h VAL 312 CO -0.02 0.18 0.46 0.40 0.02 0.00 0.00 177.57 178.60 1pn0 h ILE 313 N 0.46 1.24 -0.29 4.57 2.04 -0.22 -1.47 117.51 123.83 1pn0 h ILE 313 Ca 0.13 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.46 1pn0 h ILE 313 Cb 0.11 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1pn0 h ILE 313 CO -0.02 0.26 0.02 0.00 0.00 0.00 0.00 178.15 178.41 1pn0 h ALA 314 N 1.24 0.28 -0.07 1.87 0.00 -0.65 -1.12 119.26 120.81 1pn0 h ALA 314 Ca 0.29 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1pn0 h ALA 314 Cb 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1pn0 h ALA 314 CO -0.05 -0.39 -0.57 -0.97 0.00 0.00 0.00 179.25 177.27 1pn0 h ASN 315 N 0.11 0.25 -0.57 0.00 -1.24 -1.18 -2.86 115.58 110.09 1pn0 h ASN 315 Ca 0.14 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1pn0 h ASN 315 Cb 0.17 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1pn0 h ASN 315 CO -0.22 0.77 0.38 0.00 -1.29 0.00 0.00 177.43 177.07 1pn0 h ALA 316 N 1.23 0.73 -0.71 1.57 0.00 -0.74 0.05 119.26 121.40 1pn0 h ALA 316 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pn0 h ALA 316 Cb 1.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1pn0 h ALA 316 CO 0.09 0.17 0.46 0.87 0.00 0.00 0.00 179.25 180.84 1pn0 h LYS 317 N 0.78 0.93 -0.22 0.00 1.57 -1.09 0.90 116.57 119.44 1pn0 h LYS 317 Ca 0.21 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1pn0 h LYS 317 Cb -0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 1pn0 h LYS 317 CO -0.04 0.62 0.02 0.87 -0.57 0.00 0.00 179.45 180.34 1pn0 h LYS 318 N 0.96 0.38 -0.54 3.15 1.57 -1.13 -2.44 116.57 118.51 1pn0 h LYS 318 Ca 0.26 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1pn0 h LYS 318 Cb -0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1pn0 h LYS 318 CO -0.06 0.55 0.09 0.82 -0.57 0.00 0.00 179.45 180.28 1pn0 h ILE 319 N 0.16 1.24 0.00 1.86 2.04 -0.25 -2.64 117.51 119.92 1pn0 h ILE 319 Ca 0.06 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1pn0 h ILE 319 Cb 0.37 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1pn0 h ILE 319 CO 0.01 0.33 0.00 -0.26 0.00 0.00 0.00 178.15 178.23 1pn0 h PHE 320 N 0.81 0.00 -1.69 1.37 0.04 -0.77 -3.44 116.94 113.27 1pn0 h PHE 320 Ca 0.17 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.27 1pn0 h PHE 320 Cb 0.36 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.58 1pn0 h PHE 320 CO 0.02 0.00 0.19 1.58 -0.60 0.00 0.00 178.31 179.50 1pn0 n HIS 321 N -2.97 1.07 0.26 -0.55 -0.00 -0.93 -0.35 115.22 111.75 1pn0 n HIS 321 Ca 0.02 0.76 0.07 0.00 0.46 0.00 0.00 57.72 59.03 1pn0 n HIS 321 Cb 0.38 -2.23 0.23 0.00 -0.12 0.00 0.00 29.99 28.25 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 1.74 2.54 -1.89 1.57 -0.04 -1.26 -4.22 135.00 133.45 1pn0 n PRO 322 Ca 0.16 -1.84 -0.33 0.00 -0.04 0.00 0.00 63.50 61.46 1pn0 n PRO 322 Cb 0.21 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.58 2.88 0.39 0.54 2.02 0.53 -5.03 117.35 117.10 1pn0 s TYR 323 Ca 0.33 1.51 -0.07 0.00 -0.37 0.00 0.00 57.07 58.47 1pn0 s TYR 323 Cb 0.20 -3.04 -0.05 0.00 -0.40 0.00 0.00 41.96 38.67 1pn0 s TYR 323 CO 0.19 -1.31 0.71 0.95 -1.57 0.00 0.00 175.55 174.52 1pn0 s THR 324 N -2.50 4.89 -0.17 -0.71 -4.23 -1.26 -4.77 115.64 106.88 1pn0 s THR 324 Ca 0.64 0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 61.42 1pn0 s THR 324 Cb -0.17 -3.77 0.08 0.00 1.34 0.00 0.00 72.50 69.98 1pn0 s THR 324 CO 0.41 -0.56 0.36 0.12 -0.54 0.00 0.00 174.62 174.41 1pn0 s PHE 325 N -2.40 -0.66 0.11 3.99 5.36 -1.26 -3.66 117.98 119.47 1pn0 s PHE 325 Ca 0.48 1.32 -0.04 0.00 -0.96 0.00 0.00 56.93 57.73 1pn0 s PHE 325 Cb -0.10 0.19 -0.03 0.00 -0.34 0.00 0.00 43.02 42.73 1pn0 s PHE 325 CO 0.35 -0.43 0.10 -0.51 -1.46 0.00 0.00 175.22 173.27 1pn0 s ASP 326 N 2.47 0.27 -0.17 6.13 1.01 0.30 -4.84 116.67 121.84 1pn0 s ASP 326 Ca -0.01 -1.02 -0.02 0.00 0.71 0.00 0.00 52.55 52.21 1pn0 s ASP 326 Cb -0.12 0.31 -0.01 0.00 1.01 0.00 0.00 42.92 44.11 1pn0 s ASP 326 CO -0.11 -0.73 -0.10 -0.69 0.21 0.00 0.00 175.17 173.74 1pn0 s VAL 327 N -3.98 3.09 0.07 -1.27 1.01 -1.26 0.27 120.40 118.34 1pn0 s VAL 327 Ca 0.16 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1pn0 s VAL 327 Cb 0.06 -2.35 -0.22 0.00 0.00 0.00 0.00 36.38 33.88 1pn0 s VAL 327 CO -0.03 0.49 1.10 1.56 0.00 0.00 0.00 175.10 178.22 1pn0 h GLN 328 N 7.38 0.02 -1.99 2.72 4.20 -0.64 -3.47 115.11 123.33 1pn0 h GLN 328 Ca -0.34 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.31 1pn0 h GLN 328 Cb 1.18 0.01 -0.21 0.00 0.30 0.00 0.00 27.48 28.76 1pn0 h GLN 328 CO 0.59 0.88 0.12 -1.14 -0.67 0.00 0.00 178.83 178.60 1pn0 s GLN 329 N -2.68 0.82 -0.20 1.46 0.74 -1.18 -4.98 119.66 113.64 1pn0 s GLN 329 Ca -0.01 1.03 0.01 0.00 0.05 0.00 0.00 55.36 56.44 1pn0 s GLN 329 Cb 0.09 0.37 0.04 0.00 1.10 0.00 0.00 33.01 34.61 1pn0 s GLN 329 CO 0.82 -0.11 -0.15 -1.17 -0.55 0.00 0.00 175.29 174.14 1pn0 s LEU 330 N 0.56 2.48 -0.03 3.68 2.96 -1.26 -0.82 118.68 126.24 1pn0 s LEU 330 Ca -0.01 -0.89 0.06 0.00 -0.22 0.00 0.00 54.13 53.06 1pn0 s LEU 330 Cb -0.05 -1.41 -0.24 0.00 0.50 0.00 0.00 46.19 44.99 1pn0 s LEU 330 CO -0.02 -0.09 0.72 0.44 -1.32 0.00 0.00 176.35 176.07 1pn0 h ASP 331 N 7.91 0.15 -4.46 3.68 5.19 -1.39 -3.48 116.42 124.02 1pn0 h ASP 331 Ca -0.34 -0.27 0.16 0.00 -0.62 0.00 0.00 57.03 55.96 1pn0 h ASP 331 Cb 1.10 -0.05 -0.17 0.00 0.18 0.00 0.00 39.33 40.39 1pn0 h ASP 331 CO 0.54 1.23 0.61 0.86 -3.12 0.00 0.00 179.24 179.37 1pn0 s TRP 332 N -2.61 -0.27 0.20 4.55 -0.00 -1.22 -4.40 118.94 115.20 1pn0 s TRP 332 Ca -0.08 0.19 -0.17 0.00 -0.00 0.00 0.00 56.10 56.04 1pn0 s TRP 332 Cb 0.08 0.52 0.03 0.00 -0.00 0.00 0.00 33.47 34.10 1pn0 s TRP 332 CO 0.82 -0.41 0.52 -0.59 -0.00 0.00 0.00 176.95 177.29 1pn0 s PHE 333 N -2.74 -0.08 0.28 5.86 -0.71 -1.07 -1.40 117.98 118.11 1pn0 s PHE 333 Ca 0.06 -0.26 -0.10 0.00 -1.04 0.00 0.00 56.93 55.59 1pn0 s PHE 333 Cb -0.01 0.37 0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1pn0 s PHE 333 CO -0.07 -0.92 0.55 -2.37 -1.34 0.00 0.00 175.22 171.07 1pn0 n THR 334 N -0.34 0.00 -3.96 -4.49 5.66 -0.56 -1.47 114.28 109.12 1pn0 n THR 334 Ca -0.09 -0.70 -0.08 0.00 -3.05 0.00 0.00 64.05 60.13 1pn0 n THR 334 Cb 0.62 0.69 -0.08 0.00 -1.55 0.00 0.00 70.33 70.01 1pn0 n THR 334 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pn0 s ALA 335 N -1.76 0.11 -0.02 1.79 0.00 -1.26 -0.89 121.76 119.73 1pn0 s ALA 335 Ca 0.11 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1pn0 s ALA 335 Cb -0.03 0.44 0.10 0.00 0.00 0.00 0.00 23.12 23.62 1pn0 s ALA 335 CO 0.08 -0.46 0.82 1.52 0.00 0.00 0.00 175.76 177.72 1pn0 s TYR 336 N -3.90 -0.45 0.29 0.00 -0.85 -0.40 -4.54 117.35 107.50 1pn0 s TYR 336 Ca 0.07 0.50 0.02 0.00 -0.52 0.00 0.00 57.07 57.13 1pn0 s TYR 336 Cb 0.06 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 1pn0 s TYR 336 CO -0.10 -0.57 0.46 -1.01 -1.52 0.00 0.00 175.55 172.81 1pn0 s HIS 337 N -2.44 3.48 -0.17 -3.49 3.76 -1.26 -0.77 115.29 114.39 1pn0 s HIS 337 Ca -0.00 0.23 -0.22 0.00 -0.15 0.00 0.00 55.06 54.92 1pn0 s HIS 337 Cb -0.01 -1.79 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1pn0 s HIS 337 CO -0.04 0.27 0.68 0.42 -0.85 0.00 0.00 174.74 175.22 1pn0 s ILE 338 N -2.13 5.00 -0.01 0.60 -1.09 -0.91 -4.90 121.20 117.77 1pn0 s ILE 338 Ca 0.38 1.31 -0.29 0.00 -2.23 0.00 0.00 60.65 59.82 1pn0 s ILE 338 Cb -0.10 -4.00 0.10 0.00 -1.58 0.00 0.00 42.46 36.89 1pn0 s ILE 338 CO 0.32 0.12 0.92 -0.83 -1.23 0.00 0.00 174.94 174.24 1pn0 s GLY 339 N 1.12 -0.43 0.00 6.18 0.00 -1.26 -0.76 107.32 112.17 1pn0 s GLY 339 Ca 0.32 0.99 0.04 0.00 0.00 0.00 0.00 44.72 46.06 1pn0 s GLY 339 CO 0.12 0.32 -0.11 1.20 0.00 0.00 0.00 173.10 174.63 1pn0 s GLN 340 N -3.07 0.88 -0.07 2.90 1.11 -1.25 -3.72 119.66 116.44 1pn0 s GLN 340 Ca 0.06 -0.48 -0.10 0.00 0.01 0.00 0.00 55.36 54.85 1pn0 s GLN 340 Cb -0.01 -0.85 0.02 0.00 -1.01 0.00 0.00 33.01 31.17 1pn0 s GLN 340 CO -0.08 0.23 0.26 1.03 0.01 0.00 0.00 175.29 176.74 1pn0 s ARG 341 N -0.49 0.41 -0.07 2.91 0.52 -0.14 -3.40 118.95 118.69 1pn0 s ARG 341 Ca 0.03 0.15 -0.18 0.00 -0.52 0.00 0.00 55.73 55.20 1pn0 s ARG 341 Cb -0.05 0.19 0.04 0.00 0.52 0.00 0.00 34.95 35.65 1pn0 s ARG 341 CO -0.00 -0.08 0.43 0.54 0.02 0.00 0.00 175.30 176.22 1pn0 s VAL 342 N -0.38 0.03 0.40 3.52 0.11 -0.93 -0.61 120.40 122.54 1pn0 s VAL 342 Ca -0.05 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1pn0 s VAL 342 Cb -0.03 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1pn0 s VAL 342 CO 0.01 -0.12 0.60 0.42 -3.33 0.00 0.00 175.10 172.69 1pn0 s THR 343 N -0.77 4.46 -0.10 5.04 -4.23 -0.69 -1.22 115.64 118.13 1pn0 s THR 343 Ca -0.08 -0.53 0.16 0.00 -1.18 0.00 0.00 61.69 60.05 1pn0 s THR 343 Cb -0.03 -3.63 -0.15 0.00 1.34 0.00 0.00 72.50 70.03 1pn0 s THR 343 CO 0.04 -0.41 0.82 -0.33 -0.54 0.00 0.00 174.62 174.20 1pn0 h GLU 344 N 0.59 0.00 -6.13 3.99 4.39 -1.93 -3.47 114.58 112.01 1pn0 h GLU 344 Ca -0.48 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.54 1pn0 h GLU 344 Cb 1.24 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.62 1pn0 h GLU 344 CO 0.58 0.36 -0.81 0.15 -1.16 0.00 0.00 179.01 178.13 1pn0 s LYS 345 N -2.84 2.60 0.00 2.33 1.02 -1.26 -5.00 119.74 116.58 1pn0 s LYS 345 Ca -0.03 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.23 1pn0 s LYS 345 Cb 0.08 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1pn0 s LYS 345 CO 0.81 0.49 0.63 1.19 -0.92 0.00 0.00 175.35 177.55 1pn0 n PHE 346 N 2.67 0.00 -3.66 3.18 3.01 -1.26 -4.94 117.46 116.46 1pn0 n PHE 346 Ca -0.17 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.14 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 -0.49 -0.54 -0.22 4.37 0.15 -1.26 -1.31 113.70 114.40 1pn0 s SER 347 Ca 0.06 0.87 -0.01 0.00 0.70 0.00 0.00 55.95 57.57 1pn0 s SER 347 Cb 0.04 0.88 0.02 0.00 -1.71 0.00 0.00 66.02 65.24 1pn0 s SER 347 CO 0.07 -0.33 -0.10 -0.75 1.20 0.00 0.00 173.24 173.33 1pn0 s LYS 348 N -0.30 2.99 -0.32 5.44 2.47 -0.23 -4.68 119.74 125.10 1pn0 s LYS 348 Ca -0.05 -0.86 0.00 0.00 -1.56 0.00 0.00 55.97 53.50 1pn0 s LYS 348 Cb -0.03 -2.85 0.00 0.00 -1.46 0.00 0.00 37.83 33.49 1pn0 s LYS 348 CO 0.03 -0.30 0.00 -0.25 0.16 0.00 0.00 175.35 175.00 1pn0 n ASP 349 N 4.67 -5.64 -3.37 1.43 8.00 -1.26 -0.88 116.55 119.50 1pn0 n ASP 349 Ca -0.18 0.07 -0.24 0.00 0.71 0.00 0.00 54.79 55.15 1pn0 n ASP 349 Cb 0.49 -3.40 0.01 0.00 -0.02 0.00 0.00 41.12 38.20 1pn0 n ASP 349 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pn0 n GLU 350 N 0.12 -4.21 0.00 -1.24 4.71 -1.26 -4.83 120.64 113.93 1pn0 n GLU 350 Ca -0.03 0.62 0.00 0.00 -0.01 0.00 0.00 57.16 57.74 1pn0 n GLU 350 Cb 0.48 -5.40 0.00 0.00 -1.01 0.00 0.00 31.44 25.50 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 -3.99 0.00 -4.13 3.49 5.12 -0.06 -4.99 116.66 112.10 1pn0 n ARG 351 Ca -0.03 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.55 1pn0 n ARG 351 Cb 0.56 -0.83 -0.14 0.00 -1.16 0.00 0.00 32.46 30.89 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 -1.84 3.07 0.21 1.55 1.01 -0.78 -1.58 120.40 122.05 1pn0 s VAL 352 Ca 0.00 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1pn0 s VAL 352 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1pn0 s VAL 352 CO 0.00 0.47 -0.09 -0.36 0.00 0.00 0.00 175.10 175.12 1pn0 s PHE 353 N 1.19 2.61 0.15 5.22 0.08 0.01 -1.07 117.98 126.17 1pn0 s PHE 353 Ca 0.02 -0.24 0.09 0.00 0.12 0.00 0.00 56.93 56.93 1pn0 s PHE 353 Cb -0.14 -1.23 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1pn0 s PHE 353 CO -0.03 0.56 -0.22 0.96 -0.10 0.00 0.00 175.22 176.39 1pn0 s ILE 354 N -1.95 1.97 0.08 0.64 -4.36 -0.43 0.82 121.20 117.97 1pn0 s ILE 354 Ca 0.27 -1.81 -0.11 0.00 -0.26 0.00 0.00 60.65 58.74 1pn0 s ILE 354 Cb -0.08 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.80 1pn0 s ILE 354 CO 0.16 -0.13 0.24 0.00 0.24 0.00 0.00 174.94 175.45 1pn0 s ALA 355 N -1.55 -0.44 0.00 2.27 0.00 -0.64 -4.87 121.76 116.54 1pn0 s ALA 355 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1pn0 s ALA 355 Cb -0.08 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1pn0 s ALA 355 CO 0.07 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1pn0 n GLY 356 N 0.19 0.86 0.34 0.00 0.00 -1.26 -3.25 105.19 102.07 1pn0 n GLY 356 Ca -0.17 -0.81 0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 9.01 0.00 -0.09 1.61 5.19 -1.86 0.28 116.42 130.55 1pn0 h ASP 357 Ca 0.00 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 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 0.11 0.00 -3.12 0.00 0.00 179.24 176.23 1pn0 h ALA 358 N 1.78 1.61 0.00 3.45 0.00 -1.48 -3.04 119.26 121.59 1pn0 h ALA 358 Ca 0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1pn0 h ALA 358 Cb 0.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1pn0 h ALA 358 CO -0.00 -0.16 -1.75 0.00 0.00 0.00 0.00 179.25 177.34 1pn0 s HIS 360 N -2.67 -0.75 0.12 0.00 0.00 -0.78 -1.71 115.29 109.51 1pn0 s HIS 360 Ca -0.06 1.53 0.07 0.00 -3.00 0.00 0.00 55.06 53.60 1pn0 s HIS 360 Cb 0.07 0.37 -0.04 0.00 -4.00 0.00 0.00 32.58 28.97 1pn0 s HIS 360 CO 0.56 -0.41 -0.16 0.95 -1.00 0.00 0.00 174.74 174.68 1pn0 s THR 361 N 1.64 1.47 0.12 -5.38 -4.23 0.22 -4.06 115.64 105.43 1pn0 s THR 361 Ca -0.09 -1.66 -0.22 0.00 -1.18 0.00 0.00 61.69 58.54 1pn0 s THR 361 Cb -0.08 -1.53 0.08 0.00 1.34 0.00 0.00 72.50 72.30 1pn0 s THR 361 CO -0.14 -0.30 1.03 0.00 -0.54 0.00 0.00 174.62 174.66 1pn0 n HIS 362 N 0.70 -1.03 -1.72 3.99 1.44 -1.25 -0.96 115.22 116.38 1pn0 n HIS 362 Ca -0.17 -1.03 -0.31 0.00 -2.01 0.00 0.00 57.72 54.20 1pn0 n HIS 362 Cb 0.56 0.50 0.04 0.00 0.12 0.00 0.00 29.99 31.21 1pn0 n HIS 362 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1pn0 s SER 363 N -3.37 5.54 -0.05 4.39 1.04 -1.24 -4.88 113.70 115.12 1pn0 s SER 363 Ca 0.23 1.42 0.11 0.00 0.48 0.00 0.00 55.95 58.20 1pn0 s SER 363 Cb -0.02 -2.32 0.41 0.00 0.10 0.00 0.00 66.02 64.19 1pn0 s SER 363 CO 0.03 -1.32 1.28 -0.81 0.98 0.00 0.00 173.24 173.40 1pn0 n PRO 364 N -3.03 2.43 0.20 4.02 -0.04 -1.26 -4.49 135.00 132.83 1pn0 n PRO 364 Ca 0.07 -1.62 0.16 0.00 -0.04 0.00 0.00 63.50 62.06 1pn0 n PRO 364 Cb 0.55 -1.55 0.80 0.00 -0.04 0.00 0.00 33.50 33.26 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 2.41 0.00 -0.01 0.54 1.79 -1.99 -1.39 116.57 117.92 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 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1pn0 h LYS 365 CO 0.10 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.47 1pn0 n ALA 366 N -2.40 2.20 -3.93 3.86 0.00 -1.26 -5.01 120.51 113.97 1pn0 n ALA 366 Ca 0.01 -2.17 -0.40 0.00 0.00 0.00 0.00 53.44 50.89 1pn0 n ALA 366 Cb 0.28 -0.28 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.15 -0.94 0.01 0.00 0.00 -0.53 -4.90 105.19 97.68 1pn0 n GLY 367 Ca 0.12 0.40 0.08 0.00 0.00 0.00 0.00 46.02 46.62 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 -4.50 0.54 0.22 1.61 1.13 -1.26 -4.68 117.38 110.44 1pn0 n GLN 368 Ca -0.13 -0.15 -0.12 0.00 -1.94 0.00 0.00 57.00 54.66 1pn0 n GLN 368 Cb 0.58 -1.40 -0.07 0.00 0.11 0.00 0.00 30.24 29.47 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 3.04 -0.63 0.64 1.08 0.00 -1.90 0.87 103.07 106.17 1pn0 h GLY 369 Ca -0.02 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.61 1pn0 h GLY 369 CO 0.00 -0.23 0.32 1.98 0.00 0.00 0.00 176.54 178.61 1pn0 h MET 370 N -1.02 0.57 0.32 4.80 1.85 -1.90 0.84 114.93 120.39 1pn0 h MET 370 Ca -0.06 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.99 1pn0 h MET 370 Cb 0.56 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.44 1pn0 h MET 370 CO 0.10 0.38 -0.35 -0.91 -0.40 0.00 0.00 176.91 175.73 1pn0 h ASN 371 N 0.59 -0.97 -0.85 1.39 2.35 -1.79 -0.34 115.58 115.96 1pn0 h ASN 371 Ca 0.28 0.09 0.03 0.00 -0.55 0.00 0.00 56.30 56.15 1pn0 h ASN 371 Cb 0.21 0.33 -0.05 0.00 0.05 0.00 0.00 38.32 38.86 1pn0 h ASN 371 CO -0.20 -0.49 0.55 0.74 -1.65 0.00 0.00 177.43 176.38 1pn0 h THR 372 N -0.71 1.13 -0.33 2.81 2.02 -0.60 -0.51 112.91 116.73 1pn0 h THR 372 Ca -0.02 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1pn0 h THR 372 Cb 0.65 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1pn0 h THR 372 CO -0.09 0.19 0.13 0.28 0.37 0.00 0.00 175.52 176.41 1pn0 h SER 373 N 1.06 0.45 -0.63 4.18 0.02 -0.60 0.14 113.55 118.17 1pn0 h SER 373 Ca 0.34 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 1pn0 h SER 373 Cb 0.01 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1pn0 h SER 373 CO -0.12 0.50 0.13 0.24 -1.14 0.00 0.00 176.83 176.44 1pn0 h MET 374 N 0.38 1.03 0.00 3.45 2.07 -0.88 -2.60 114.93 118.37 1pn0 h MET 374 Ca 0.11 -0.26 -0.04 0.00 -2.07 0.00 0.00 59.70 57.44 1pn0 h MET 374 Cb 0.19 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.79 1pn0 h MET 374 CO -0.01 0.94 -0.17 0.52 1.07 0.00 0.00 176.91 179.26 1pn0 h MET 375 N 0.94 0.00 0.03 1.72 2.86 -0.72 -0.42 114.93 119.34 1pn0 h MET 375 Ca 0.20 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1pn0 h MET 375 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1pn0 h MET 375 CO 0.01 0.17 -0.02 -0.44 1.06 0.00 0.00 176.91 177.70 1pn0 h ASP 376 N 0.00 -0.04 1.88 1.22 3.32 -0.34 -2.22 116.42 120.24 1pn0 h ASP 376 Ca -0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1pn0 h ASP 376 Cb 0.36 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1pn0 h ASP 376 CO 0.02 0.11 0.00 0.71 -1.72 0.00 0.00 179.24 178.37 1pn0 h THR 377 N -0.18 0.00 -0.38 0.35 1.35 -1.34 -1.07 112.91 111.64 1pn0 h THR 377 Ca -0.00 -0.88 -0.06 0.00 -0.55 0.00 0.00 66.41 64.91 1pn0 h THR 377 Cb 0.17 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1pn0 h THR 377 CO 0.01 0.00 -0.03 0.22 -0.25 0.00 0.00 175.52 175.46 1pn0 h TYR 378 N 0.00 0.65 0.10 4.73 3.20 -0.99 0.16 116.97 124.81 1pn0 h TYR 378 Ca 0.00 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1pn0 h TYR 378 Cb 0.94 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1pn0 h TYR 378 CO 0.00 0.64 -0.05 -0.97 -1.64 0.00 0.00 178.16 176.15 1pn0 h ASN 379 N 0.58 -0.11 -0.53 -2.11 -0.73 -1.06 -3.32 115.58 108.30 1pn0 h ASN 379 Ca 0.12 -0.46 -0.08 0.00 1.87 0.00 0.00 56.30 57.74 1pn0 h ASN 379 Cb 0.42 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.01 1pn0 h ASN 379 CO 0.02 0.47 0.02 0.25 -0.37 0.00 0.00 177.43 177.82 1pn0 h LEU 380 N -0.76 0.93 -0.99 0.34 5.85 -1.21 -3.31 115.31 116.17 1pn0 h LEU 380 Ca -0.01 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1pn0 h LEU 380 Cb 0.57 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1pn0 h LEU 380 CO 0.02 0.98 0.28 1.23 -0.34 0.00 0.00 178.44 180.61 1pn0 h GLY 381 N 1.00 1.08 1.98 3.75 0.00 -0.76 -1.03 103.07 109.10 1pn0 h GLY 381 Ca 0.17 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.78 1pn0 h GLY 381 CO 0.02 0.53 -0.72 0.11 0.00 0.00 0.00 176.54 176.48 1pn0 h TRP 382 N 0.99 0.02 -0.08 5.60 5.08 -1.67 0.05 115.95 125.93 1pn0 h TRP 382 Ca 0.23 -0.01 -0.03 0.00 1.08 0.00 0.00 58.89 60.16 1pn0 h TRP 382 Cb 0.18 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.33 1pn0 h TRP 382 CO 0.01 0.73 -0.07 0.87 -1.28 0.00 0.00 178.44 178.71 1pn0 h LYS 383 N 0.01 0.19 -0.52 0.12 1.57 -1.49 -0.71 116.57 115.74 1pn0 h LYS 383 Ca -0.01 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 1pn0 h LYS 383 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1pn0 h LYS 383 CO 0.10 0.61 -0.02 1.25 -0.57 0.00 0.00 179.45 180.81 1pn0 h LEU 384 N -0.22 0.87 -0.40 2.94 5.85 -1.20 -1.79 115.31 121.36 1pn0 h LEU 384 Ca 0.01 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1pn0 h LEU 384 Cb 0.57 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1pn0 h LEU 384 CO 0.02 0.95 0.26 1.23 -0.34 0.00 0.00 178.44 180.56 1pn0 h GLY 385 N 0.99 0.56 1.60 3.75 0.00 -0.77 0.36 103.07 109.56 1pn0 h GLY 385 Ca 0.15 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1pn0 h GLY 385 CO 0.03 0.20 -0.37 1.41 0.00 0.00 0.00 176.54 177.81 1pn0 h LEU 386 N 0.54 0.47 -0.11 3.11 3.38 -0.96 -2.22 115.31 119.52 1pn0 h LEU 386 Ca 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1pn0 h LEU 386 Cb -0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1pn0 h LEU 386 CO -0.03 0.80 0.03 0.58 0.09 0.00 0.00 178.44 179.91 1pn0 h VAL 387 N 0.38 1.18 0.00 1.22 2.07 -0.89 0.13 116.25 120.34 1pn0 h VAL 387 Ca 0.04 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1pn0 h VAL 387 Cb 0.83 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1pn0 h VAL 387 CO 0.07 0.16 -0.17 -0.07 0.02 0.00 0.00 177.57 177.58 1pn0 h LEU 388 N -0.01 0.00 -1.18 2.57 3.38 -0.84 -1.49 115.31 117.74 1pn0 h LEU 388 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1pn0 h LEU 388 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1pn0 h LEU 388 CO -0.00 0.17 0.00 0.35 0.09 0.00 0.00 178.44 179.05 1pn0 n THR 389 N -4.33 0.28 -1.27 0.22 -2.24 -0.84 -4.91 114.28 101.18 1pn0 n THR 389 Ca -0.02 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1pn0 n THR 389 Cb 0.23 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.12 1.03 0.04 3.38 0.00 -0.56 -4.91 105.19 105.29 1pn0 n GLY 390 Ca 0.15 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.73 0.64 -4.17 1.61 1.74 0.38 -4.64 116.66 109.48 1pn0 n ARG 391 Ca -0.09 -0.11 -0.11 0.00 -0.77 0.00 0.00 57.85 56.77 1pn0 n ARG 391 Cb 0.29 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 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 0.99 0.30 7.54 0.00 -0.66 -1.25 121.76 125.21 1pn0 s ALA 392 Ca -0.06 -1.32 -0.28 0.00 0.00 0.00 0.00 51.96 50.30 1pn0 s ALA 392 Cb 0.13 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.30 1pn0 s ALA 392 CO 0.88 -0.21 1.05 0.15 0.00 0.00 0.00 175.76 177.63 1pn0 s LYS 393 N -3.66 4.59 0.50 0.00 1.02 -0.19 -4.35 119.74 117.64 1pn0 s LYS 393 Ca 0.11 1.66 0.22 0.00 0.02 0.00 0.00 55.97 57.97 1pn0 s LYS 393 Cb 0.04 -3.06 1.28 0.00 -0.52 0.00 0.00 37.83 35.57 1pn0 s LYS 393 CO -0.04 0.21 1.98 -0.09 -0.92 0.00 0.00 175.35 176.49 1pn0 h ARG 394 N 3.58 0.13 -0.14 1.68 2.43 -1.94 -1.99 114.38 118.12 1pn0 h ARG 394 Ca -0.47 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.74 1pn0 h ARG 394 Cb 1.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1pn0 h ARG 394 CO 0.66 0.08 0.27 -0.44 -1.51 0.00 0.00 179.97 179.04 1pn0 h ASP 395 N 0.13 0.00 0.19 -3.80 3.32 -1.96 -0.82 116.42 113.48 1pn0 h ASP 395 Ca 0.27 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 1pn0 h ASP 395 Cb 0.89 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 1pn0 h ASP 395 CO -0.03 0.00 -0.02 0.16 -1.72 0.00 0.00 179.24 177.63 1pn0 h ILE 396 N 0.00 0.17 0.00 0.35 3.07 -1.73 -2.47 117.51 116.91 1pn0 h ILE 396 Ca 0.07 -0.14 -0.02 0.00 1.55 0.00 0.00 64.86 66.32 1pn0 h ILE 396 Cb 0.61 1.12 -0.00 0.00 -0.27 0.00 0.00 36.82 38.28 1pn0 h ILE 396 CO -0.00 0.02 -0.10 -0.07 -1.05 0.00 0.00 178.15 176.95 1pn0 h LEU 397 N 0.00 0.00 -2.20 0.16 3.38 -1.37 -1.71 115.31 113.56 1pn0 h LEU 397 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pn0 h LEU 397 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1pn0 h LEU 397 CO 0.00 0.10 -0.05 0.11 0.09 0.00 0.00 178.44 178.69 1pn0 h LYS 398 N 0.00 0.00 0.00 1.13 1.57 -1.64 -2.47 116.57 115.16 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 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1pn0 h LYS 398 CO 0.01 0.05 0.00 1.79 -0.57 0.00 0.00 179.45 180.73 1pn0 h THR 399 N 0.00 0.00 0.33 -0.16 1.35 -1.49 -2.94 112.91 110.00 1pn0 h THR 399 Ca -0.00 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.46 1pn0 h THR 399 Cb 0.24 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1pn0 h THR 399 CO 0.01 0.00 -0.16 0.22 -0.25 0.00 0.00 175.52 175.34 1pn0 h TYR 400 N 0.00 -0.41 -0.77 4.73 3.20 -1.60 -0.83 116.97 121.28 1pn0 h TYR 400 Ca 0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1pn0 h TYR 400 Cb 0.56 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1pn0 h TYR 400 CO 0.00 -0.13 0.34 1.49 -1.64 0.00 0.00 178.16 178.23 1pn0 h GLU 401 N -0.67 1.14 -0.32 1.82 4.81 -1.74 0.71 114.58 120.33 1pn0 h GLU 401 Ca -0.05 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1pn0 h GLU 401 Cb 0.47 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1pn0 h GLU 401 CO 0.07 0.90 0.21 0.93 -0.73 0.00 0.00 179.01 180.39 1pn0 h GLU 402 N 1.11 0.42 0.08 1.92 5.08 -1.38 -1.36 114.58 120.43 1pn0 h GLU 402 Ca 0.26 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.25 1pn0 h GLU 402 Cb 0.16 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1pn0 h GLU 402 CO -0.03 0.28 -1.94 0.39 -1.00 0.00 0.00 179.01 176.71 1pn0 n GLU 403 N -4.49 0.70 0.03 2.33 1.02 -0.33 -4.50 120.64 115.41 1pn0 n GLU 403 Ca 0.02 0.31 -0.04 0.00 -0.02 0.00 0.00 57.16 57.43 1pn0 n GLU 403 Cb 0.07 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 29.71 1pn0 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pn0 h ARG 404 N -0.22 0.00 -0.14 3.49 2.47 -0.78 -3.30 114.38 115.90 1pn0 h ARG 404 Ca -0.45 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.23 1pn0 h ARG 404 Cb 1.84 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.16 1pn0 h ARG 404 CO -0.03 0.50 -0.10 0.37 0.56 0.00 0.00 179.97 181.27 1pn0 h GLN 405 N 0.00 0.32 -0.19 0.04 -0.00 -1.42 -1.48 115.11 112.38 1pn0 h GLN 405 Ca -0.15 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.32 1pn0 h GLN 405 Cb 1.73 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.19 1pn0 h GLN 405 CO 0.07 0.67 0.03 -1.35 0.00 0.00 0.00 178.83 178.25 1pn0 h PRO 406 N -0.03 0.27 -0.52 -2.39 0.11 -1.75 -1.18 132.00 126.51 1pn0 h PRO 406 Ca 0.03 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 1pn0 h PRO 406 Cb 0.59 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1pn0 h PRO 406 CO 0.03 0.27 0.01 0.35 -0.21 0.00 0.00 178.00 178.45 1pn0 h PHE 407 N 0.27 0.99 -0.64 0.65 3.57 -1.57 -1.46 116.94 118.75 1pn0 h PHE 407 Ca 0.07 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.42 1pn0 h PHE 407 Cb 0.14 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1pn0 h PHE 407 CO 0.00 0.91 0.41 0.00 -2.23 0.00 0.00 178.31 177.40 1pn0 h ALA 408 N 0.95 0.82 -0.84 2.41 0.00 -0.40 0.44 119.26 122.64 1pn0 h ALA 408 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1pn0 h ALA 408 Cb 0.51 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1pn0 h ALA 408 CO 0.02 0.19 0.56 0.37 0.00 0.00 0.00 179.25 180.39 1pn0 h GLN 409 N 0.82 1.09 -0.60 0.00 5.75 -0.96 -0.12 115.11 121.08 1pn0 h GLN 409 Ca 0.25 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.61 1pn0 h GLN 409 Cb -0.04 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.24 1pn0 h GLN 409 CO -0.08 0.72 0.09 0.00 -2.65 0.00 0.00 178.83 176.92 1pn0 h ALA 410 N 1.32 1.03 -0.31 3.38 0.00 -0.53 0.15 119.26 124.30 1pn0 h ALA 410 Ca 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pn0 h ALA 410 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1pn0 h ALA 410 CO -0.08 0.62 0.15 1.25 0.00 0.00 0.00 179.25 181.19 1pn0 h LEU 411 N 0.92 0.40 -0.77 0.00 5.85 -0.32 -0.01 115.31 121.39 1pn0 h LEU 411 Ca 0.19 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1pn0 h LEU 411 Cb 0.40 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1pn0 h LEU 411 CO 0.01 0.41 0.39 0.40 -0.34 0.00 0.00 178.44 179.31 1pn0 h ILE 412 N 0.37 1.24 -0.61 4.05 5.03 -0.68 0.01 117.51 126.93 1pn0 h ILE 412 Ca 0.11 -0.66 -0.04 0.00 -0.12 0.00 0.00 64.86 64.15 1pn0 h ILE 412 Cb 0.12 0.26 -0.03 0.00 -3.03 0.00 0.00 36.82 34.14 1pn0 h ILE 412 CO -0.01 0.28 0.22 0.44 -0.68 0.00 0.00 178.15 178.39 1pn0 h ASP 413 N 1.08 0.86 0.14 1.72 3.32 -0.68 0.16 116.42 123.01 1pn0 h ASP 413 Ca 0.27 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1pn0 h ASP 413 Cb 0.09 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1pn0 h ASP 413 CO -0.04 0.82 -0.06 0.15 -1.72 0.00 0.00 179.24 178.39 1pn0 h PHE 414 N 0.85 -0.17 -0.28 4.55 3.57 -0.72 -3.07 116.94 121.67 1pn0 h PHE 414 Ca 0.20 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 1pn0 h PHE 414 Cb 0.25 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1pn0 h PHE 414 CO 0.02 -0.02 -0.15 0.22 -2.23 0.00 0.00 178.31 176.14 1pn0 h ASP 415 N -0.28 0.47 -0.35 0.41 3.58 -0.78 -1.68 116.42 117.80 1pn0 h ASP 415 Ca -0.02 -0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.37 1pn0 h ASP 415 Cb 0.22 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.08 1pn0 h ASP 415 CO 0.03 0.65 -0.11 -0.74 -2.88 0.00 0.00 179.24 176.19 1pn0 h HIS 416 N 0.45 -0.26 0.03 0.28 2.76 -0.59 0.18 115.15 118.00 1pn0 h HIS 416 Ca 0.08 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1pn0 h HIS 416 Cb 0.53 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1pn0 h HIS 416 CO 0.02 -0.18 -0.02 0.37 -1.30 0.00 0.00 177.93 176.82 1pn0 h GLN 417 N -0.04 -0.04 -0.56 5.26 4.15 -1.45 -3.21 115.11 119.21 1pn0 h GLN 417 Ca 0.17 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.62 1pn0 h GLN 417 Cb 0.30 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 1pn0 h GLN 417 CO -0.38 0.49 0.34 0.35 -1.93 0.00 0.00 178.83 177.70 1pn0 h PHE 418 N -0.61 0.64 -0.49 3.99 3.57 -1.16 -1.07 116.94 121.80 1pn0 h PHE 418 Ca -0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1pn0 h PHE 418 Cb 0.56 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1pn0 h PHE 418 CO 0.11 0.36 0.09 0.66 -2.23 0.00 0.00 178.31 177.30 1pn0 h SER 419 N 0.67 0.72 -0.07 0.41 4.64 -1.10 -0.58 113.55 118.24 1pn0 h SER 419 Ca 0.23 -0.14 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 1pn0 h SER 419 Cb 0.02 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1pn0 h SER 419 CO -0.10 0.73 -0.67 0.03 -0.87 0.00 0.00 176.83 175.96 1pn0 h ARG 420 N 0.73 0.70 -0.36 4.77 3.08 -1.45 -1.38 114.38 120.47 1pn0 h ARG 420 Ca 0.16 -0.51 -0.08 0.00 0.07 0.00 0.00 59.98 59.62 1pn0 h ARG 420 Cb 0.32 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1pn0 h ARG 420 CO 0.00 1.13 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.86 1pn0 h LEU 421 N 0.51 0.61 -0.84 3.04 3.38 -0.86 -1.10 115.31 120.05 1pn0 h LEU 421 Ca -0.02 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 1pn0 h LEU 421 Cb 1.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1pn0 h LEU 421 CO 0.13 0.75 -0.55 0.15 0.09 0.00 0.00 178.44 179.01 1pn0 h PHE 422 N 0.58 0.00 0.00 1.13 3.04 -0.97 -3.24 116.94 117.48 1pn0 h PHE 422 Ca 0.10 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1pn0 h PHE 422 Cb 0.52 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1pn0 h PHE 422 CO 0.02 0.55 -0.76 0.43 -2.02 0.00 0.00 178.31 176.53 1pn0 n SER 423 N -3.78 0.66 -4.90 0.41 7.64 -0.53 -4.59 113.62 108.54 1pn0 n SER 423 Ca -0.01 -0.43 -0.28 0.00 1.01 0.00 0.00 58.87 59.15 1pn0 n SER 423 Cb 0.58 0.58 0.02 0.00 -1.01 0.00 0.00 64.21 64.38 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 -3.17 1.60 0.14 0.23 0.00 -0.46 -4.84 107.32 100.81 1pn0 s GLY 424 Ca 0.08 -0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 1pn0 s GLY 424 CO 0.77 -0.18 1.05 -1.60 0.00 0.00 0.00 173.10 173.14 1pn0 s ARG 425 N -5.06 4.63 0.35 2.90 3.52 -1.26 -4.83 118.95 119.20 1pn0 s ARG 425 Ca 0.54 1.60 -0.28 0.00 -0.13 0.00 0.00 55.73 57.46 1pn0 s ARG 425 Cb -0.11 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 1pn0 s ARG 425 CO 0.48 0.11 1.29 -1.25 -0.81 0.00 0.00 175.30 175.12 1pn0 s PRO 426 N -0.09 4.24 0.35 5.12 0.04 -1.26 -0.19 135.00 143.21 1pn0 s PRO 426 Ca 0.49 2.16 -0.28 0.00 0.04 0.00 0.00 61.00 63.41 1pn0 s PRO 426 Cb -0.27 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 1pn0 s PRO 426 CO 0.32 -0.26 1.28 0.00 0.04 0.00 0.00 177.00 178.38 1pn0 s ALA 427 N -1.19 3.41 0.11 8.56 0.00 -0.07 -4.59 121.76 127.98 1pn0 s ALA 427 Ca 0.51 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.66 1pn0 s ALA 427 Cb -0.38 -3.46 -0.17 0.00 0.00 0.00 0.00 23.12 19.10 1pn0 s ALA 427 CO 0.51 -0.64 1.24 0.87 0.00 0.00 0.00 175.76 177.74 1pn0 h LYS 428 N 3.18 0.25 0.00 0.00 1.57 -1.91 -3.47 116.57 116.19 1pn0 h LYS 428 Ca -0.49 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 57.92 1pn0 h LYS 428 Cb 1.23 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 1pn0 h LYS 428 CO 0.65 1.11 0.02 -0.40 -0.57 0.00 0.00 179.45 180.26 1pn0 n ASP 429 N -3.59 -0.32 0.14 0.86 5.68 -1.26 -5.01 116.55 113.06 1pn0 n ASP 429 Ca -0.06 -1.27 0.12 0.00 -0.50 0.00 0.00 54.79 53.08 1pn0 n ASP 429 Cb 0.93 0.55 0.51 0.00 -1.14 0.00 0.00 41.12 41.96 1pn0 n ASP 429 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1pn0 h VAL 430 N 1.16 0.00 -0.00 2.12 -1.51 -2.03 -2.49 116.25 113.49 1pn0 h VAL 430 Ca -0.05 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1pn0 h VAL 430 Cb 0.20 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1pn0 h VAL 430 CO 0.07 0.00 -0.38 0.00 -1.23 0.00 0.00 177.57 176.02 1pn0 n ALA 431 N -1.80 3.33 -2.15 5.19 0.00 -1.26 -4.62 120.51 119.20 1pn0 n ALA 431 Ca 0.02 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 1pn0 n ALA 431 Cb 0.24 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1pn0 n ALA 431 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pn0 n ASP 432 N -0.98 4.55 -0.34 0.00 -0.08 -0.94 -4.81 116.55 113.95 1pn0 n ASP 432 Ca 0.09 -2.96 0.12 0.00 -1.51 0.00 0.00 54.79 50.53 1pn0 n ASP 432 Cb 0.35 -1.59 0.31 0.00 2.34 0.00 0.00 41.12 42.53 1pn0 n ASP 432 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1pn0 h GLU 433 N 6.17 0.78 0.00 -0.67 4.11 -1.86 -1.64 114.58 121.47 1pn0 h GLU 433 Ca 0.47 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.76 1pn0 h GLU 433 Cb 0.68 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1pn0 h GLU 433 CO 1.69 0.52 -0.47 0.52 0.07 0.00 0.00 179.01 181.34 1pn0 h MET 434 N 0.81 0.00 -7.44 1.06 2.86 -1.98 -3.45 114.93 106.79 1pn0 h MET 434 Ca 0.54 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.69 1pn0 h MET 434 Cb 0.78 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.54 1pn0 h MET 434 CO -0.32 0.47 0.37 0.20 1.06 0.00 0.00 176.91 178.69 1pn0 s GLY 435 N -4.39 1.63 -0.05 8.32 0.00 -0.62 -4.86 107.32 107.34 1pn0 s GLY 435 Ca -0.01 -0.26 -0.24 0.00 0.00 0.00 0.00 44.72 44.21 1pn0 s GLY 435 CO 0.72 0.14 0.71 0.14 0.00 0.00 0.00 173.10 174.81 1pn0 s VAL 436 N -3.24 5.01 0.03 1.40 1.01 0.73 -4.53 120.40 120.81 1pn0 s VAL 436 Ca 0.60 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.73 1pn0 s VAL 436 Cb -0.13 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1pn0 s VAL 436 CO 0.53 0.27 1.22 -0.55 0.00 0.00 0.00 175.10 176.57 1pn0 s SER 437 N 0.69 7.05 0.40 3.32 0.15 -1.26 -0.90 113.70 123.15 1pn0 s SER 437 Ca 0.38 1.98 0.20 0.00 0.70 0.00 0.00 55.95 59.21 1pn0 s SER 437 Cb -0.18 -2.57 0.80 0.00 -1.71 0.00 0.00 66.02 62.36 1pn0 s SER 437 CO 0.19 -0.52 1.79 0.24 1.20 0.00 0.00 173.24 176.13 1pn0 h MET 438 N 7.05 0.00 -0.31 5.44 2.86 -1.96 -0.91 114.93 127.10 1pn0 h MET 438 Ca -0.39 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.12 1pn0 h MET 438 Cb 1.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1pn0 h MET 438 CO 0.84 0.33 -0.29 -0.44 1.06 0.00 0.00 176.91 178.41 1pn0 h ASP 439 N 0.00 0.78 -0.58 1.22 3.32 -2.00 -1.63 116.42 117.53 1pn0 h ASP 439 Ca -0.00 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 1pn0 h ASP 439 Cb 0.79 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1pn0 h ASP 439 CO 0.04 1.08 0.22 0.58 -1.72 0.00 0.00 179.24 179.44 1pn0 h VAL 440 N 0.49 1.23 -0.20 -1.35 2.07 -1.87 -1.95 116.25 114.67 1pn0 h VAL 440 Ca 0.05 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1pn0 h VAL 440 Cb 0.86 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1pn0 h VAL 440 CO 0.07 0.28 0.13 0.15 0.02 0.00 0.00 177.57 178.23 1pn0 h PHE 441 N 0.80 0.25 -0.53 1.57 3.57 -1.11 0.12 116.94 121.61 1pn0 h PHE 441 Ca 0.19 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1pn0 h PHE 441 Cb 0.23 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1pn0 h PHE 441 CO 0.01 0.16 0.30 -0.22 -2.23 0.00 0.00 178.31 176.34 1pn0 h LYS 442 N 0.27 0.58 -0.77 1.11 3.64 -1.17 0.29 116.57 120.52 1pn0 h LYS 442 Ca 0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1pn0 h LYS 442 Cb -0.03 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1pn0 h LYS 442 CO -0.02 0.38 0.44 0.93 -2.27 0.00 0.00 179.45 178.92 1pn0 h GLU 443 N 0.59 1.06 -0.34 1.90 5.08 -0.87 -0.21 114.58 121.79 1pn0 h GLU 443 Ca 0.22 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1pn0 h GLU 443 Cb 0.07 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1pn0 h GLU 443 CO -0.12 0.77 -0.10 0.00 -1.00 0.00 0.00 179.01 178.56 1pn0 h ALA 444 N 1.23 1.19 -0.14 3.43 0.00 -0.24 -1.26 119.26 123.47 1pn0 h ALA 444 Ca 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pn0 h ALA 444 Cb -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1pn0 h ALA 444 CO -0.05 0.52 -0.04 0.35 0.00 0.00 0.00 179.25 180.03 1pn0 h PHE 445 N 0.54 0.31 -0.25 0.00 3.04 -0.17 0.27 116.94 120.67 1pn0 h PHE 445 Ca 0.10 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1pn0 h PHE 445 Cb 0.50 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1pn0 h PHE 445 CO 0.02 0.58 0.08 0.28 -2.02 0.00 0.00 178.31 177.25 1pn0 h VAL 446 N -0.04 1.19 -0.51 1.41 2.07 -0.92 -0.16 116.25 119.29 1pn0 h VAL 446 Ca 0.03 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1pn0 h VAL 446 Cb 0.48 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1pn0 h VAL 446 CO 0.02 0.20 0.26 0.50 0.02 0.00 0.00 177.57 178.57 1pn0 h LYS 447 N 0.25 0.73 -0.10 1.57 3.64 -1.25 -2.85 116.57 118.55 1pn0 h LYS 447 Ca 0.08 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1pn0 h LYS 447 Cb 0.23 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1pn0 h LYS 447 CO -0.00 0.59 0.04 0.78 -2.27 0.00 0.00 179.45 178.59 1pn0 h GLY 448 N 0.69 0.14 2.00 5.01 0.00 -0.13 -1.85 103.07 108.93 1pn0 h GLY 448 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1pn0 h GLY 448 CO -0.03 0.05 -0.13 3.43 0.00 0.00 0.00 176.54 179.87 1pn0 h ASN 449 N 0.14 0.00 0.09 0.19 -0.26 -0.78 0.43 115.58 115.38 1pn0 h ASN 449 Ca 0.04 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1pn0 h ASN 449 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1pn0 h ASN 449 CO -0.00 0.13 -0.04 -0.08 -1.06 0.00 0.00 177.43 176.37 1pn0 h GLU 450 N 0.00 -0.11 -0.44 0.81 4.81 -1.40 -2.82 114.58 115.42 1pn0 h GLU 450 Ca -0.00 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1pn0 h GLU 450 Cb 0.30 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1pn0 h GLU 450 CO 0.02 0.38 0.23 0.35 -0.73 0.00 0.00 179.01 179.25 1pn0 h PHE 451 N -0.69 0.42 0.00 0.92 3.57 -1.42 -2.85 116.94 116.90 1pn0 h PHE 451 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1pn0 h PHE 451 Cb 0.55 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1pn0 h PHE 451 CO 0.10 0.22 -0.07 0.00 -2.23 0.00 0.00 178.31 176.33 1pn0 h ALA 452 N 1.22 1.53 0.00 2.41 0.00 -0.22 -1.31 119.26 122.88 1pn0 h ALA 452 Ca 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pn0 h ALA 452 Cb 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pn0 h ALA 452 CO -0.12 0.09 -0.01 0.66 0.00 0.00 0.00 179.25 179.88 1pn0 h SER 453 N 0.00 0.00 0.00 0.00 4.64 -1.24 -3.45 113.55 113.50 1pn0 h SER 453 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pn0 h SER 453 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1pn0 h SER 453 CO 0.01 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1pn0 n GLY 454 N -1.18 0.89 0.45 -0.77 0.00 -0.50 -1.43 105.19 102.66 1pn0 n GLY 454 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.09 0.00 0.79 2.61 -2.24 -1.26 -4.26 114.28 107.83 1pn0 n THR 455 Ca 0.00 -0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1pn0 n THR 455 Cb 0.00 0.78 0.14 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.08 2.45 -1.68 6.98 0.00 -1.26 -4.71 120.51 122.20 1pn0 n ALA 456 Ca 0.13 -0.78 -0.44 0.00 0.00 0.00 0.00 53.44 52.35 1pn0 n ALA 456 Cb 0.41 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 1.38 0.92 -3.69 0.00 5.41 -1.26 -4.99 119.36 117.14 1pn0 n ILE 457 Ca 0.16 -0.23 -0.29 0.00 1.00 0.00 0.00 62.75 63.38 1pn0 n ILE 457 Cb 0.60 -1.56 -0.15 0.00 -0.71 0.00 0.00 39.64 37.81 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 0.35 3.76 0.26 4.38 3.84 -1.26 -4.19 114.94 122.09 1pn0 s ASN 458 Ca 0.68 -1.44 -0.30 0.00 0.21 0.00 0.00 52.86 52.01 1pn0 s ASN 458 Cb -0.62 -0.71 -0.10 0.00 -0.55 0.00 0.00 41.25 39.27 1pn0 s ASN 458 CO 0.49 -0.40 1.34 -0.31 -2.79 0.00 0.00 177.10 175.42 1pn0 s TYR 459 N 1.76 3.13 0.70 0.43 2.02 0.41 -4.95 117.35 120.85 1pn0 s TYR 459 Ca 0.08 1.25 -0.14 0.00 -0.37 0.00 0.00 57.07 57.89 1pn0 s TYR 459 Cb -0.17 -3.68 0.02 0.00 -0.40 0.00 0.00 41.96 37.73 1pn0 s TYR 459 CO -0.25 -2.04 1.12 -0.51 -1.57 0.00 0.00 175.55 172.29 1pn0 s ASP 460 N 0.02 4.83 0.14 2.29 1.01 -1.26 -4.51 116.67 119.19 1pn0 s ASP 460 Ca 0.54 2.00 -0.34 0.00 0.71 0.00 0.00 52.55 55.46 1pn0 s ASP 460 Cb -0.39 -2.55 -0.16 0.00 1.01 0.00 0.00 42.92 40.83 1pn0 s ASP 460 CO 0.45 -1.82 1.16 1.21 0.21 0.00 0.00 175.17 176.38 1pn0 n GLU 461 N -2.73 0.98 -1.93 8.23 2.13 -1.26 -4.86 120.64 121.21 1pn0 n GLU 461 Ca 0.10 0.35 -0.03 0.00 0.66 0.00 0.00 57.16 58.25 1pn0 n GLU 461 Cb 0.52 -1.85 0.01 0.00 0.27 0.00 0.00 31.44 30.39 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 2.07 -0.74 0.08 4.31 0.23 -0.70 -4.97 115.26 115.54 1pn0 n ASN 462 Ca 0.16 -1.50 0.17 0.00 -0.53 0.00 0.00 54.58 52.88 1pn0 n ASN 462 Cb 0.22 1.23 0.67 0.00 -2.08 0.00 0.00 39.78 39.82 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 0.00 -2.93 -4.53 5.85 -1.94 -1.67 115.31 110.09 1pn0 h LEU 463 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1pn0 h LEU 463 Cb 0.40 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1pn0 h LEU 463 CO 0.14 0.00 0.00 1.33 -0.34 0.00 0.00 178.44 179.57 1pn0 n VAL 464 N -4.43 1.19 -3.62 1.05 0.24 -1.26 -4.83 118.33 106.67 1pn0 n VAL 464 Ca 0.06 -1.11 -0.29 0.00 -2.04 0.00 0.00 64.34 60.96 1pn0 n VAL 464 Cb 0.45 0.40 -0.15 0.00 -1.47 0.00 0.00 33.84 33.06 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 -1.25 0.22 -0.70 3.34 2.01 -0.63 -4.74 115.64 113.90 1pn0 s THR 465 Ca 0.29 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 1pn0 s THR 465 Cb 0.17 -1.10 0.18 0.00 0.01 0.00 0.00 72.50 71.76 1pn0 s THR 465 CO 0.17 -0.60 0.55 -0.62 -0.69 0.00 0.00 174.62 173.43 1pn0 s ASP 466 N 1.96 5.65 0.01 3.53 -1.08 0.09 -1.72 116.67 125.11 1pn0 s ASP 466 Ca 0.07 -2.89 -0.18 0.00 -0.52 0.00 0.00 52.55 49.03 1pn0 s ASP 466 Cb -0.16 -1.95 -0.35 0.00 -1.46 0.00 0.00 42.92 39.00 1pn0 s ASP 466 CO -0.27 -0.40 0.97 0.11 0.52 0.00 0.00 175.17 176.09 1pn0 h LYS 467 N 7.12 0.47 -0.29 4.34 1.57 -1.92 -3.32 116.57 124.54 1pn0 h LYS 467 Ca 0.03 -0.81 -0.02 0.00 -1.87 0.00 0.00 60.65 57.98 1pn0 h LYS 467 Cb 0.96 0.30 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1pn0 h LYS 467 CO 0.73 1.39 0.11 0.87 -0.57 0.00 0.00 179.45 181.98 1pn0 h LYS 468 N -0.01 0.40 -0.09 3.15 1.57 -1.97 -1.27 116.57 118.35 1pn0 h LYS 468 Ca -0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1pn0 h LYS 468 Cb 2.02 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1pn0 h LYS 468 CO 0.24 0.35 0.00 0.43 -0.57 0.00 0.00 179.45 179.90 1pn0 n SER 469 N -4.41 1.92 -4.89 0.86 7.64 -1.26 -4.93 113.62 108.55 1pn0 n SER 469 Ca 0.01 -1.67 -0.30 0.00 1.01 0.00 0.00 58.87 57.92 1pn0 n SER 469 Cb 0.14 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.83 6.53 -0.84 6.43 0.01 -0.48 -4.88 113.70 118.63 1pn0 s SER 470 Ca 0.35 0.85 -0.05 0.00 1.31 0.00 0.00 55.95 58.41 1pn0 s SER 470 Cb 0.20 -2.20 0.21 0.00 0.21 0.00 0.00 66.02 64.44 1pn0 s SER 470 CO 0.31 -0.17 0.73 -0.54 0.41 0.00 0.00 173.24 173.97 1pn0 s LYS 471 N -3.30 3.25 0.51 12.44 1.02 0.48 -4.95 119.74 129.19 1pn0 s LYS 471 Ca 0.46 -2.97 0.18 0.00 0.02 0.00 0.00 55.97 53.66 1pn0 s LYS 471 Cb -0.11 -4.04 1.26 0.00 -0.52 0.00 0.00 37.83 34.43 1pn0 s LYS 471 CO 0.27 -1.24 2.11 0.37 -0.92 0.00 0.00 175.35 175.94 1pn0 h GLN 472 N 6.59 0.00 0.00 1.68 5.75 -1.92 -1.84 115.11 125.38 1pn0 h GLN 472 Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1pn0 h GLN 472 Cb 0.89 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.44 1pn0 h GLN 472 CO 0.82 0.06 0.00 1.05 -2.65 0.00 0.00 178.83 178.11 1pn0 h GLU 473 N 0.00 0.00 0.00 1.69 9.09 -1.95 -1.86 114.58 121.55 1pn0 h GLU 473 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1pn0 h GLU 473 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1pn0 h GLU 473 CO 0.01 0.00 0.00 -0.07 0.05 0.00 0.00 179.01 179.00 1pn0 h LEU 474 N 0.00 0.00 -5.93 3.06 3.38 -1.62 -3.34 115.31 110.86 1pn0 h LEU 474 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1pn0 h LEU 474 Cb 0.15 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.58 1pn0 h LEU 474 CO 0.00 0.00 -0.87 0.00 0.09 0.00 0.00 178.44 177.66 1pn0 n ALA 475 N -2.07 1.54 0.17 1.53 0.00 -0.71 -4.20 120.51 116.77 1pn0 n ALA 475 Ca 0.03 -2.62 0.07 0.00 0.00 0.00 0.00 53.44 50.91 1pn0 n ALA 475 Cb 0.42 -0.95 0.56 0.00 0.00 0.00 0.00 19.45 19.48 1pn0 n ALA 475 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1pn0 h LYS 476 N 5.11 0.19 -0.60 0.00 3.64 -1.14 -1.13 116.57 122.64 1pn0 h LYS 476 Ca 0.17 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 1pn0 h LYS 476 Cb 0.95 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.64 1pn0 h LYS 476 CO 0.31 0.13 0.17 0.09 -2.27 0.00 0.00 179.45 177.87 1pn0 n ASN 477 N -4.52 4.50 -3.37 4.20 3.02 -0.48 -4.47 115.26 114.15 1pn0 n ASN 477 Ca -0.01 -3.23 -0.26 0.00 -0.03 0.00 0.00 54.58 51.05 1pn0 n ASN 477 Cb 0.08 -0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 38.48 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 -2.25 4.02 0.25 0.00 1.01 -1.26 -4.91 120.40 117.26 1pn0 s VAL 479 Ca 0.39 1.44 -0.31 0.00 0.00 0.00 0.00 61.98 63.50 1pn0 s VAL 479 Cb 0.16 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 1pn0 s VAL 479 CO -0.03 0.10 1.66 -0.69 0.00 0.00 0.00 175.10 176.14 1pn0 s VAL 480 N 1.15 2.03 0.00 2.92 1.01 -1.26 -1.25 120.40 124.99 1pn0 s VAL 480 Ca 0.59 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1pn0 s VAL 480 Cb -0.29 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1pn0 s VAL 480 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1pn0 n GLY 481 N 3.03 1.23 3.83 4.51 0.00 -0.04 -4.80 105.19 112.94 1pn0 n GLY 481 Ca 0.12 0.00 -0.22 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 -2.33 3.67 0.42 2.61 -4.23 -0.38 -0.45 115.64 114.95 1pn0 s THR 482 Ca 0.00 -1.42 -0.25 0.00 -1.18 0.00 0.00 61.69 58.84 1pn0 s THR 482 Cb 0.00 -3.20 -0.08 0.00 1.34 0.00 0.00 72.50 70.56 1pn0 s THR 482 CO 0.00 -0.22 1.23 0.00 -0.54 0.00 0.00 174.62 175.10 1pn0 s ARG 483 N -3.94 3.93 -0.34 3.99 1.04 -1.26 -1.28 118.95 121.09 1pn0 s ARG 483 Ca 0.39 1.98 -0.29 0.00 -1.04 0.00 0.00 55.73 56.77 1pn0 s ARG 483 Cb -0.06 -2.65 0.00 0.00 -2.04 0.00 0.00 34.95 30.20 1pn0 s ARG 483 CO 0.26 -0.47 1.39 0.12 -0.04 0.00 0.00 175.30 176.56 1pn0 s PHE 484 N -1.36 2.49 0.12 5.89 5.36 0.46 -4.73 117.98 126.21 1pn0 s PHE 484 Ca 0.59 0.75 -0.30 0.00 -0.96 0.00 0.00 56.93 57.00 1pn0 s PHE 484 Cb -0.34 -4.09 -0.06 0.00 -0.34 0.00 0.00 43.02 38.19 1pn0 s PHE 484 CO 0.43 -1.98 0.98 0.21 -1.46 0.00 0.00 175.22 173.40 1pn0 s LYS 485 N 4.57 4.69 0.37 10.12 2.20 -1.26 -4.98 119.74 135.45 1pn0 s LYS 485 Ca 0.60 1.48 -0.27 0.00 -0.36 0.00 0.00 55.97 57.42 1pn0 s LYS 485 Cb -0.16 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 32.70 1pn0 s LYS 485 CO 0.28 0.19 1.29 0.45 -0.36 0.00 0.00 175.35 177.20 1pn0 s SER 486 N 0.01 6.52 0.07 1.43 0.15 -1.26 -4.89 113.70 115.73 1pn0 s SER 486 Ca 0.47 2.64 0.03 0.00 0.70 0.00 0.00 55.95 59.79 1pn0 s SER 486 Cb -0.24 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.40 1pn0 s SER 486 CO 0.30 -0.71 -0.09 -1.10 1.20 0.00 0.00 173.24 172.85 1pn0 s GLN 487 N -2.06 0.72 0.45 5.44 -1.52 -1.26 -4.90 119.66 116.52 1pn0 s GLN 487 Ca 0.54 -1.03 -0.24 0.00 -1.95 0.00 0.00 55.36 52.67 1pn0 s GLN 487 Cb -0.38 -0.38 -0.08 0.00 -0.22 0.00 0.00 33.01 31.96 1pn0 s GLN 487 CO 0.50 0.05 1.28 -2.14 -0.25 0.00 0.00 175.29 174.73 1pn0 s PRO 488 N -2.51 3.73 0.22 2.91 0.02 -1.26 -1.43 135.00 136.68 1pn0 s PRO 488 Ca 0.01 2.08 -0.04 0.00 0.02 0.00 0.00 61.00 63.06 1pn0 s PRO 488 Cb -0.04 -2.56 -0.03 0.00 0.02 0.00 0.00 34.50 31.89 1pn0 s PRO 488 CO -0.01 -0.66 0.23 0.14 -0.33 0.00 0.00 177.00 176.37 1pn0 s VAL 489 N -1.34 0.00 -0.25 3.83 -7.23 -0.17 -4.68 120.40 110.56 1pn0 s VAL 489 Ca 0.62 -1.84 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1pn0 s VAL 489 Cb -0.36 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.17 1pn0 s VAL 489 CO 0.45 0.00 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.51 1pn0 s VAL 490 N -4.09 3.13 0.13 1.32 1.01 0.08 -1.13 120.40 120.84 1pn0 s VAL 490 Ca 0.35 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 1pn0 s VAL 490 Cb 0.05 -2.54 -0.09 0.00 0.00 0.00 0.00 36.38 33.80 1pn0 s VAL 490 CO 0.12 0.25 1.48 -0.60 0.00 0.00 0.00 175.10 176.35 1pn0 s ARG 491 N 1.39 4.27 0.23 2.72 3.52 0.24 -0.06 118.95 131.25 1pn0 s ARG 491 Ca 0.02 2.21 -0.02 0.00 -0.13 0.00 0.00 55.73 57.80 1pn0 s ARG 491 Cb -0.16 -3.25 0.25 0.00 -1.56 0.00 0.00 34.95 30.22 1pn0 s ARG 491 CO -0.03 -0.54 1.65 1.25 -0.81 0.00 0.00 175.30 176.82 1pn0 h HIS 492 N 6.98 0.76 -0.45 5.12 -0.00 -1.56 0.11 115.15 126.11 1pn0 h HIS 492 Ca -0.42 -0.18 0.07 0.00 -0.00 0.00 0.00 60.37 59.84 1pn0 h HIS 492 Cb 1.21 -0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 28.37 1pn0 h HIS 492 CO 0.67 0.86 0.10 0.66 -0.00 0.00 0.00 177.93 180.22 1pn0 h SER 493 N 0.58 0.03 0.00 3.26 4.64 -1.83 -3.29 113.55 116.93 1pn0 h SER 493 Ca 0.08 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1pn0 h SER 493 Cb 0.74 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1pn0 h SER 493 CO 0.06 0.05 0.00 -1.84 -0.87 0.00 0.00 176.83 174.23 1pn0 n GLU 494 N -5.09 1.98 -1.23 4.77 0.00 -1.24 -5.02 120.64 114.81 1pn0 n GLU 494 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.00 1pn0 n GLU 494 Cb 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 31.44 31.01 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 0.34 0.67 3.67 -1.84 0.00 0.38 -5.03 105.19 103.38 1pn0 n GLY 495 Ca 0.00 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 4.24 0.05 0.99 2.96 -1.18 -4.72 118.68 121.02 1pn0 s LEU 496 Ca 0.00 1.82 -0.30 0.00 -0.22 0.00 0.00 54.13 55.43 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 -0.72 1.15 0.86 -1.32 0.00 0.00 176.35 176.32 1pn0 s TRP 497 N 3.05 3.49 0.09 5.38 -0.00 -1.26 -0.59 118.94 129.10 1pn0 s TRP 497 Ca 0.58 1.40 -0.21 0.00 -0.00 0.00 0.00 56.10 57.86 1pn0 s TRP 497 Cb -0.25 -3.35 0.05 0.00 -0.00 0.00 0.00 33.47 29.92 1pn0 s TRP 497 CO 0.19 -0.99 0.51 0.00 -0.00 0.00 0.00 176.95 176.67 1pn0 s MET 498 N 0.98 1.10 -0.13 5.86 0.23 -0.28 -4.97 119.30 122.09 1pn0 s MET 498 Ca 0.57 -0.40 -0.29 0.00 -1.03 0.00 0.00 55.69 54.54 1pn0 s MET 498 Cb -0.28 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 1pn0 s MET 498 CO 0.29 -0.43 1.34 -1.01 -2.03 0.00 0.00 175.02 173.18 1pn0 s HIS 499 N -3.06 2.72 0.51 3.16 3.76 -1.26 -1.00 115.29 120.11 1pn0 s HIS 499 Ca -0.02 0.87 0.16 0.00 -0.15 0.00 0.00 55.06 55.92 1pn0 s HIS 499 Cb -0.00 -3.58 1.23 0.00 1.11 0.00 0.00 32.58 31.34 1pn0 s HIS 499 CO -0.07 -2.10 2.12 0.35 -0.85 0.00 0.00 174.74 174.20 1pn0 h PHE 500 N 8.37 0.00 -0.37 1.40 3.57 -1.57 -1.45 116.94 126.88 1pn0 h PHE 500 Ca -0.30 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.31 1pn0 h PHE 500 Cb 1.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1pn0 h PHE 500 CO 0.81 0.03 0.30 0.78 -2.23 0.00 0.00 178.31 178.00 1pn0 h GLY 501 N 0.10 0.00 2.00 2.40 0.00 -1.90 0.02 103.07 105.69 1pn0 h GLY 501 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1pn0 h GLY 501 CO 0.00 0.00 -0.06 -0.55 0.00 0.00 0.00 176.54 175.94 1pn0 h ASP 502 N 0.00 0.00 1.61 0.19 5.19 -1.66 -2.16 116.42 119.58 1pn0 h ASP 502 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1pn0 h ASP 502 Cb 0.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1pn0 h ASP 502 CO -0.00 0.06 0.00 -0.09 -3.12 0.00 0.00 179.24 176.08 1pn0 h ARG 503 N 0.00 0.00 -2.36 3.56 9.65 -1.15 -3.37 114.38 120.71 1pn0 h ARG 503 Ca -0.00 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.27 1pn0 h ARG 503 Cb 0.21 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 28.66 1pn0 h ARG 503 CO 0.01 0.00 1.55 1.28 2.80 0.00 0.00 179.97 185.60 1pn0 n LEU 504 N -2.90 7.30 -4.69 3.80 4.77 -0.81 -4.96 117.00 119.51 1pn0 n LEU 504 Ca 0.03 -4.42 -0.44 0.00 -0.03 0.00 0.00 56.01 51.15 1pn0 n LEU 504 Cb 0.44 -1.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.17 1pn0 n LEU 504 CO 0.31 1.91 1.31 0.52 -1.33 0.00 0.00 177.39 180.11 1pn0 n VAL 505 N 1.58 0.08 -2.77 4.08 0.31 -1.26 -4.78 118.33 115.57 1pn0 n VAL 505 Ca 0.57 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 64.46 1pn0 n VAL 505 Cb 0.41 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 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 1.41 4.58 0.00 2.52 2.01 0.55 -4.76 115.64 121.95 1pn0 s THR 506 Ca 0.79 1.34 0.00 0.00 0.31 0.00 0.00 61.69 64.13 1pn0 s THR 506 Cb -0.59 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 67.58 1pn0 s THR 506 CO 0.36 -0.50 0.58 -0.90 -0.69 0.00 0.00 174.62 173.47 1pn0 n ASP 507 N 6.77 0.00 0.00 3.53 5.68 -1.26 -4.79 116.55 126.48 1pn0 n ASP 507 Ca 0.08 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 1pn0 n ASP 507 Cb 0.48 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 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 1.27 3.80 6.12 0.00 -1.26 -4.96 105.19 110.17 1pn0 n GLY 508 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.79 4.36 0.59 1.61 0.52 -1.26 -4.81 118.95 119.16 1pn0 s ARG 509 Ca 0.00 0.96 -0.07 0.00 -0.52 0.00 0.00 55.73 56.09 1pn0 s ARG 509 Cb 0.00 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 1pn0 s ARG 509 CO 0.00 0.48 0.93 -0.06 0.02 0.00 0.00 175.30 176.67 1pn0 s PHE 510 N -1.35 3.41 0.07 -0.53 0.40 -1.08 -3.58 117.98 115.33 1pn0 s PHE 510 Ca 0.39 0.86 0.10 0.00 -0.60 0.00 0.00 56.93 57.68 1pn0 s PHE 510 Cb -0.19 -2.68 -0.03 0.00 0.51 0.00 0.00 43.02 40.63 1pn0 s PHE 510 CO 0.23 -0.72 -0.26 1.03 0.70 0.00 0.00 175.22 176.19 1pn0 s ARG 511 N -5.02 1.65 -0.29 0.44 3.00 0.31 -0.91 118.95 118.12 1pn0 s ARG 511 Ca 0.53 -1.18 -0.04 0.00 0.00 0.00 0.00 55.73 55.04 1pn0 s ARG 511 Cb -0.11 -1.93 0.03 0.00 0.00 0.00 0.00 34.95 32.95 1pn0 s ARG 511 CO 0.48 0.48 0.03 0.42 0.00 0.00 0.00 175.30 176.71 1pn0 s ILE 512 N -0.89 3.40 -0.36 1.52 1.01 -0.43 -0.75 121.20 124.69 1pn0 s ILE 512 Ca 0.12 -1.05 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 1pn0 s ILE 512 Cb -0.10 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1pn0 s ILE 512 CO 0.03 0.00 0.57 -0.63 0.00 0.00 0.00 174.94 174.92 1pn0 s ILE 513 N 1.37 4.95 -0.52 2.92 -1.09 0.13 -1.33 121.20 127.63 1pn0 s ILE 513 Ca -0.01 0.39 -0.18 0.00 -2.23 0.00 0.00 60.65 58.62 1pn0 s ILE 513 Cb -0.18 -4.03 0.08 0.00 -1.58 0.00 0.00 42.46 36.75 1pn0 s ILE 513 CO -0.00 -0.30 0.56 -0.69 -1.23 0.00 0.00 174.94 173.28 1pn0 s VAL 514 N 2.55 5.01 -0.92 2.92 1.01 0.11 -1.15 120.40 129.94 1pn0 s VAL 514 Ca 0.21 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 1pn0 s VAL 514 Cb -0.15 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 31.98 1pn0 s VAL 514 CO 0.14 -0.83 1.35 -0.36 0.00 0.00 0.00 175.10 175.41 1pn0 s PHE 515 N 2.22 2.54 -0.78 5.22 0.08 0.37 -1.26 117.98 126.37 1pn0 s PHE 515 Ca 0.09 -0.68 0.20 0.00 0.12 0.00 0.00 56.93 56.66 1pn0 s PHE 515 Cb -0.23 -4.62 0.82 0.00 -0.57 0.00 0.00 43.02 38.42 1pn0 s PHE 515 CO 0.08 -1.91 1.61 0.00 -0.10 0.00 0.00 175.22 174.90 1pn0 n ALA 516 N 8.71 1.74 -0.74 5.36 0.00 -0.77 -1.87 120.51 132.94 1pn0 n ALA 516 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1pn0 n ALA 516 Cb 0.50 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.17 1.52 3.54 0.00 0.00 -1.26 -4.17 105.19 104.99 1pn0 n GLY 517 Ca 0.03 -0.62 -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 1.25 0.00 0.00 0.00 173.32 174.57 1pn0 s LYS 518 N 0.00 4.02 0.40 1.61 2.20 -0.59 -1.65 119.74 125.73 1pn0 s LYS 518 Ca 0.00 -2.18 0.29 0.00 -0.36 0.00 0.00 55.97 53.71 1pn0 s LYS 518 Cb 0.00 -5.38 1.35 0.00 -1.51 0.00 0.00 37.83 32.29 1pn0 s LYS 518 CO 0.00 -2.10 1.86 0.00 -0.36 0.00 0.00 175.35 174.76 1pn0 h ALA 519 N 7.46 1.00 0.00 3.13 0.00 -1.88 -0.99 119.26 127.99 1pn0 h ALA 519 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1pn0 h ALA 519 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1pn0 h ALA 519 CO 1.39 0.00 0.00 1.79 0.00 0.00 0.00 179.25 182.43 1pn0 h THR 520 N 0.00 0.00 -3.28 0.00 1.35 -1.93 -3.39 112.91 105.66 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 0.23 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 1pn0 h THR 520 CO 0.00 0.00 0.53 -0.62 -0.25 0.00 0.00 175.52 175.18 1pn0 s ASP 521 N -4.82 7.26 0.23 5.36 2.15 -0.38 -4.96 116.67 121.51 1pn0 s ASP 521 Ca 0.07 1.59 -0.07 0.00 0.43 0.00 0.00 52.55 54.58 1pn0 s ASP 521 Cb 0.10 -2.56 0.33 0.00 -0.30 0.00 0.00 42.92 40.49 1pn0 s ASP 521 CO 0.53 -0.41 1.80 0.00 -0.17 0.00 0.00 175.17 176.93 1pn0 h ALA 522 N 7.04 1.03 -0.57 3.66 0.00 -1.87 0.49 119.26 129.04 1pn0 h ALA 522 Ca -0.34 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1pn0 h ALA 522 Cb 1.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1pn0 h ALA 522 CO 0.83 0.04 0.28 1.15 0.00 0.00 0.00 179.25 181.55 1pn0 h THR 523 N 0.70 1.20 -0.49 0.00 2.02 -1.94 -1.29 112.91 113.12 1pn0 h THR 523 Ca 0.35 -0.56 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1pn0 h THR 523 Cb 0.31 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1pn0 h THR 523 CO -0.24 0.23 -0.10 -0.61 0.37 0.00 0.00 175.52 175.18 1pn0 h GLN 524 N 0.77 0.93 -0.32 6.66 5.75 -1.68 -2.63 115.11 124.60 1pn0 h GLN 524 Ca 0.20 -0.35 -0.05 0.00 -0.15 0.00 0.00 58.65 58.30 1pn0 h GLN 524 Cb 0.10 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1pn0 h GLN 524 CO -0.03 1.00 -0.01 1.98 -2.65 0.00 0.00 178.83 179.12 1pn0 h MET 525 N 0.78 0.49 -0.77 1.69 4.05 -0.73 -0.78 114.93 119.66 1pn0 h MET 525 Ca 0.13 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1pn0 h MET 525 Cb 0.65 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 1pn0 h MET 525 CO 0.04 0.53 0.44 0.77 0.23 0.00 0.00 176.91 178.93 1pn0 h SER 526 N 0.47 0.94 -0.40 1.39 0.02 -0.92 0.18 113.55 115.24 1pn0 h SER 526 Ca 0.10 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1pn0 h SER 526 Cb 0.33 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1pn0 h SER 526 CO 0.01 0.74 -0.15 0.03 -1.14 0.00 0.00 176.83 176.32 1pn0 h ARG 527 N 1.07 0.87 -0.46 3.45 3.08 -0.84 -2.08 114.38 119.46 1pn0 h ARG 527 Ca 0.28 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1pn0 h ARG 527 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1pn0 h ARG 527 CO -0.05 0.96 0.04 0.82 -1.07 0.00 0.00 179.97 180.68 1pn0 h ILE 528 N 0.77 1.25 -0.69 2.04 2.04 -0.42 -1.73 117.51 120.77 1pn0 h ILE 528 Ca 0.12 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1pn0 h ILE 528 Cb 0.68 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1pn0 h ILE 528 CO 0.05 0.34 0.34 0.11 0.00 0.00 0.00 178.15 178.99 1pn0 h LYS 529 N 0.65 0.99 -0.75 2.37 1.57 -0.59 -0.53 116.57 120.28 1pn0 h LYS 529 Ca 0.14 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1pn0 h LYS 529 Cb 0.44 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1pn0 h LYS 529 CO 0.02 0.77 0.33 -0.22 -0.57 0.00 0.00 179.45 179.78 1pn0 h LYS 530 N 0.96 1.11 -0.58 3.15 3.64 -1.23 0.84 116.57 124.45 1pn0 h LYS 530 Ca 0.24 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1pn0 h LYS 530 Cb 0.10 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1pn0 h LYS 530 CO -0.03 0.89 0.09 0.35 -2.27 0.00 0.00 179.45 178.48 1pn0 h PHE 531 N 1.08 1.03 -0.25 1.91 3.57 -0.94 -1.24 116.94 122.10 1pn0 h PHE 531 Ca 0.25 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1pn0 h PHE 531 Cb 0.17 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1pn0 h PHE 531 CO 0.01 0.90 -0.16 0.00 -2.23 0.00 0.00 178.31 176.83 1pn0 h ALA 532 N 1.01 1.25 -0.46 2.41 0.00 -0.69 -0.58 119.26 122.21 1pn0 h ALA 532 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1pn0 h ALA 532 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1pn0 h ALA 532 CO 0.01 0.49 0.06 0.00 0.00 0.00 0.00 179.25 179.81 1pn0 h ALA 533 N 1.43 1.25 0.02 0.00 0.00 -0.34 -0.28 119.26 121.33 1pn0 h ALA 533 Ca 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pn0 h ALA 533 Cb 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pn0 h ALA 533 CO 0.03 0.51 -0.01 -0.92 0.00 0.00 0.00 179.25 178.87 1pn0 h TYR 534 N 0.68 -0.02 -0.99 0.00 3.20 -0.08 -2.10 116.97 117.67 1pn0 h TYR 534 Ca 0.15 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.15 1pn0 h TYR 534 Cb 0.34 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.53 1pn0 h TYR 534 CO 0.02 0.15 0.62 -0.07 -1.64 0.00 0.00 178.16 177.24 1pn0 h LEU 535 N -0.19 0.87 -0.15 2.82 3.38 -0.44 -0.73 115.31 120.86 1pn0 h LEU 535 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pn0 h LEU 535 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1pn0 h LEU 535 CO 0.00 0.44 0.00 0.47 0.09 0.00 0.00 178.44 179.44 1pn0 n ASP 536 N -4.63 0.76 -4.75 -0.43 8.00 -0.18 -4.33 116.55 110.99 1pn0 n ASP 536 Ca 0.19 0.59 -0.33 0.00 0.71 0.00 0.00 54.79 55.95 1pn0 n ASP 536 Cb 0.40 -0.79 0.07 0.00 -0.02 0.00 0.00 41.12 40.79 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 -4.42 4.63 0.31 -2.24 1.04 -0.28 -1.12 113.70 111.61 1pn0 s SER 537 Ca 0.09 2.12 0.05 0.00 0.48 0.00 0.00 55.95 58.70 1pn0 s SER 537 Cb 0.12 -2.56 0.70 0.00 0.10 0.00 0.00 66.02 64.38 1pn0 s SER 537 CO 0.55 -1.96 1.83 -0.08 0.98 0.00 0.00 173.24 174.56 1pn0 h GLU 538 N -0.26 0.80 -0.37 4.02 4.57 -1.88 -2.63 114.58 118.83 1pn0 h GLU 538 Ca -0.47 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1pn0 h GLU 538 Cb 1.26 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1pn0 h GLU 538 CO 0.52 0.53 0.00 0.09 -1.18 0.00 0.00 179.01 178.97 1pn0 n ASN 539 N -4.64 4.33 -4.73 1.04 3.02 -1.26 -4.27 115.26 108.75 1pn0 n ASN 539 Ca 0.20 -2.89 -0.30 0.00 -0.03 0.00 0.00 54.58 51.56 1pn0 n ASN 539 Cb 0.46 -0.56 0.14 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.53 3.52 0.48 6.41 1.04 -0.99 -4.75 113.70 117.89 1pn0 s SER 540 Ca 0.44 1.36 0.15 0.00 0.48 0.00 0.00 55.95 58.39 1pn0 s SER 540 Cb 0.34 -2.04 1.14 0.00 0.10 0.00 0.00 66.02 65.56 1pn0 s SER 540 CO 0.12 -2.59 2.08 -0.37 0.98 0.00 0.00 173.24 173.46 1pn0 h VAL 541 N -1.52 1.06 -0.19 5.02 -1.51 -1.89 -1.00 116.25 116.22 1pn0 h VAL 541 Ca -0.50 -0.28 -0.09 0.00 -1.23 0.00 0.00 66.70 64.60 1pn0 h VAL 541 Cb 1.29 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1pn0 h VAL 541 CO 0.57 0.08 -0.23 0.40 -1.23 0.00 0.00 177.57 177.15 1pn0 h ILE 542 N 0.02 1.33 -0.07 7.19 1.08 -1.91 -1.92 117.51 123.22 1pn0 h ILE 542 Ca 0.00 -1.42 -0.14 0.00 -0.39 0.00 0.00 64.86 62.91 1pn0 h ILE 542 Cb 0.14 1.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 1pn0 h ILE 542 CO 0.01 0.43 -0.59 0.28 -0.69 0.00 0.00 178.15 177.59 1pn0 h SER 543 N 0.16 0.28 0.55 1.72 0.02 -1.65 -2.49 113.55 112.14 1pn0 h SER 543 Ca 0.03 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1pn0 h SER 543 Cb 0.79 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1pn0 h SER 543 CO 0.06 0.81 -1.48 -2.11 -1.14 0.00 0.00 176.83 172.97 1pn0 n ARG 544 N -3.88 0.63 -0.01 3.45 1.85 -0.42 -1.06 116.66 117.22 1pn0 n ARG 544 Ca -0.02 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.93 1pn0 n ARG 544 Cb 0.61 -1.70 0.09 0.00 -1.05 0.00 0.00 32.46 30.42 1pn0 n ARG 544 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1pn0 n TYR 545 N -2.54 0.03 -3.52 2.89 4.01 -0.72 -4.17 117.16 113.13 1pn0 n TYR 545 Ca -0.04 -0.02 -0.38 0.00 -0.16 0.00 0.00 57.90 57.31 1pn0 n TYR 545 Cb 0.61 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.69 5.27 0.65 -0.72 2.01 -0.94 -4.79 115.64 115.44 1pn0 s THR 546 Ca 0.25 0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.48 1pn0 s THR 546 Cb 0.17 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1pn0 s THR 546 CO 0.26 0.27 1.28 -2.84 -0.69 0.00 0.00 174.62 172.90 1pn0 s PRO 547 N 1.40 2.54 0.25 4.92 0.02 -1.26 -0.72 135.00 142.15 1pn0 s PRO 547 Ca 0.12 2.01 -0.31 0.00 0.02 0.00 0.00 61.00 62.84 1pn0 s PRO 547 Cb -0.15 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 1pn0 s PRO 547 CO 0.07 -1.59 1.47 1.17 -0.33 0.00 0.00 177.00 177.79 1pn0 n LYS 548 N -1.96 2.23 -0.16 5.54 4.81 -0.18 -1.72 118.16 126.72 1pn0 n LYS 548 Ca 0.15 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1pn0 n LYS 548 Cb 0.48 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.04 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 2.23 1.91 3.92 3.14 0.00 -1.26 -4.92 105.19 110.21 1pn0 n GLY 549 Ca 0.11 0.00 -0.27 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 -2.90 3.75 0.30 4.61 0.00 -0.70 -5.05 121.76 121.78 1pn0 s ALA 550 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 1pn0 s ALA 550 Cb 0.00 -2.10 -0.11 0.00 0.00 0.00 0.00 23.12 20.91 1pn0 s ALA 550 CO 0.00 0.34 1.58 0.34 0.00 0.00 0.00 175.76 178.02 1pn0 s ASP 551 N -3.22 6.38 0.00 0.00 -1.08 -1.26 -4.87 116.67 112.61 1pn0 s ASP 551 Ca 0.40 2.95 0.21 0.00 -0.52 0.00 0.00 52.55 55.59 1pn0 s ASP 551 Cb -0.11 -2.64 1.16 0.00 -1.46 0.00 0.00 42.92 39.87 1pn0 s ASP 551 CO 0.30 -0.90 1.63 0.54 0.52 0.00 0.00 175.17 177.26 1pn0 n ARG 552 N 1.98 0.51 -0.37 4.34 1.74 -1.26 -1.26 116.66 122.34 1pn0 n ARG 552 Ca 0.07 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.27 1pn0 n ARG 552 Cb 0.38 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.54 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 -1.12 3.61 -0.06 0.55 3.02 -1.26 -4.62 115.26 115.38 1pn0 n ASN 553 Ca 0.13 -2.66 0.12 0.00 -0.03 0.00 0.00 54.58 52.14 1pn0 n ASN 553 Cb 0.11 -0.44 0.25 0.00 -0.61 0.00 0.00 39.78 39.09 1pn0 n ASN 553 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pn0 n SER 554 N -0.12 0.67 0.00 6.41 3.41 -0.39 -4.04 113.62 119.57 1pn0 n SER 554 Ca 0.18 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1pn0 n SER 554 Cb 0.74 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 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 -1.29 0.00 -4.37 4.33 5.12 -1.26 -4.82 116.66 114.36 1pn0 n ARG 555 Ca 0.07 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.67 1pn0 n ARG 555 Cb 0.34 -0.57 -0.16 0.00 -1.16 0.00 0.00 32.46 30.91 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 -1.99 1.88 -0.40 0.55 1.01 -1.26 -2.62 121.20 118.38 1pn0 s ILE 556 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1pn0 s ILE 556 Cb 0.00 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.79 1pn0 s ILE 556 CO 0.00 0.51 0.31 -0.62 0.00 0.00 0.00 174.94 175.14 1pn0 s ASP 557 N 1.09 6.12 -0.37 3.58 2.15 -0.09 -4.20 116.67 124.95 1pn0 s ASP 557 Ca -0.02 -0.75 -0.11 0.00 0.43 0.00 0.00 52.55 52.10 1pn0 s ASP 557 Cb -0.14 -2.17 0.02 0.00 -0.30 0.00 0.00 42.92 40.33 1pn0 s ASP 557 CO -0.06 -0.42 0.21 -0.69 -0.17 0.00 0.00 175.17 174.03 1pn0 s VAL 558 N 1.76 4.72 -0.03 1.11 1.01 -1.26 -1.32 120.40 126.40 1pn0 s VAL 558 Ca 0.06 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1pn0 s VAL 558 Cb -0.18 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1pn0 s VAL 558 CO 0.11 -0.18 -0.26 -0.63 0.00 0.00 0.00 175.10 174.14 1pn0 s ILE 559 N 1.59 2.05 -0.15 2.22 1.01 -0.44 -4.93 121.20 122.55 1pn0 s ILE 559 Ca 0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1pn0 s ILE 559 Cb -0.19 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1pn0 s ILE 559 CO 0.07 0.58 -0.12 -0.89 0.00 0.00 0.00 174.94 174.58 1pn0 s THR 560 N -0.48 3.06 -0.22 2.92 2.01 0.19 0.10 115.64 123.22 1pn0 s THR 560 Ca 0.06 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1pn0 s THR 560 Cb -0.11 -2.30 0.05 0.00 0.01 0.00 0.00 72.50 70.14 1pn0 s THR 560 CO 0.00 0.51 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.70 1pn0 s ILE 561 N 0.57 1.84 0.42 1.82 1.01 -0.39 -0.86 121.20 125.61 1pn0 s ILE 561 Ca -0.07 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 59.47 1pn0 s ILE 561 Cb -0.15 -1.90 -0.00 0.00 0.01 0.00 0.00 42.46 40.41 1pn0 s ILE 561 CO 0.03 0.15 0.49 -1.38 0.00 0.00 0.00 174.94 174.24 1pn0 s HIS 562 N 1.30 2.78 -0.57 3.97 -3.43 -0.09 -1.84 115.29 117.40 1pn0 s HIS 562 Ca -0.03 -0.43 0.16 0.00 -0.80 0.00 0.00 55.06 53.96 1pn0 s HIS 562 Cb -0.17 -2.29 0.59 0.00 -1.43 0.00 0.00 32.58 29.28 1pn0 s HIS 562 CO -0.08 -0.30 1.51 -1.13 -2.00 0.00 0.00 174.74 172.74 1pn0 n SER 563 N -1.73 4.27 -4.97 7.38 3.41 -0.66 -1.11 113.62 120.22 1pn0 n SER 563 Ca 0.06 -2.67 -0.21 0.00 -0.26 0.00 0.00 58.87 55.79 1pn0 n SER 563 Cb 0.60 -0.52 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.23 3.77 -0.35 0.00 2.46 -1.26 -4.33 115.29 113.35 1pn0 s HIS 565 Ca 0.43 1.71 0.23 0.00 0.47 0.00 0.00 55.06 57.90 1pn0 s HIS 565 Cb -0.10 -2.85 1.08 0.00 -0.13 0.00 0.00 32.58 30.58 1pn0 s HIS 565 CO 0.33 0.33 1.70 2.89 -2.47 0.00 0.00 174.74 177.51 1pn0 n ARG 566 N 0.92 0.18 0.12 2.88 1.85 -1.26 -0.64 116.66 120.70 1pn0 n ARG 566 Ca -0.01 0.51 0.13 0.00 -1.00 0.00 0.00 57.85 57.48 1pn0 n ARG 566 Cb 0.49 -1.92 0.45 0.00 -1.05 0.00 0.00 32.46 30.43 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 -2.27 0.77 -0.11 2.89 8.00 -1.26 -3.91 116.55 120.66 1pn0 n ASP 567 Ca 0.01 0.63 0.08 0.00 0.71 0.00 0.00 54.79 56.21 1pn0 n ASP 567 Cb 0.15 -0.81 -0.07 0.00 -0.02 0.00 0.00 41.12 40.37 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 -2.28 1.05 -3.61 -2.24 8.00 0.18 -4.98 116.55 112.68 1pn0 n ASP 568 Ca 0.04 -1.02 -0.16 0.00 0.71 0.00 0.00 54.79 54.36 1pn0 n ASP 568 Cb 0.33 0.86 -0.07 0.00 -0.02 0.00 0.00 41.12 42.22 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 -2.43 0.02 0.26 0.53 2.07 -1.23 -4.96 121.20 115.46 1pn0 s ILE 569 Ca 0.09 -0.20 0.07 0.00 -1.41 0.00 0.00 60.65 59.20 1pn0 s ILE 569 Cb 0.13 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.82 1pn0 s ILE 569 CO 0.62 -0.11 0.18 -1.61 -1.91 0.00 0.00 174.94 172.12 1pn0 s GLU 570 N -1.44 2.85 0.26 3.50 0.41 -1.26 -4.70 118.70 118.31 1pn0 s GLU 570 Ca -0.11 -1.11 -0.03 0.00 -0.41 0.00 0.00 54.97 53.31 1pn0 s GLU 570 Cb -0.02 -2.52 0.37 0.00 -1.78 0.00 0.00 34.13 30.19 1pn0 s GLU 570 CO 0.06 0.37 1.89 0.52 -0.49 0.00 0.00 175.26 177.61 1pn0 h MET 571 N 1.51 1.15 0.00 1.61 2.86 -1.95 -1.56 114.93 118.56 1pn0 h MET 571 Ca -0.48 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1pn0 h MET 571 Cb 1.24 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1pn0 h MET 571 CO 0.61 0.76 0.00 -2.39 1.06 0.00 0.00 176.91 176.95 1pn0 n HIS 572 N -4.49 0.00 0.86 -0.22 1.44 -1.26 -1.65 115.22 109.90 1pn0 n HIS 572 Ca 0.14 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.98 1pn0 n HIS 572 Cb 0.15 -0.06 0.42 0.00 0.12 0.00 0.00 29.99 30.62 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 -1.06 0.39 -4.89 4.39 8.00 -0.59 -4.84 116.55 117.96 1pn0 n ASP 573 Ca 0.13 0.28 -0.30 0.00 0.71 0.00 0.00 54.79 55.60 1pn0 n ASP 573 Cb 0.08 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 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 -3.04 3.45 0.02 1.24 0.40 -0.66 -5.02 117.98 114.38 1pn0 s PHE 574 Ca 0.11 0.81 -0.36 0.00 -0.60 0.00 0.00 56.93 56.89 1pn0 s PHE 574 Cb 0.16 -2.23 -0.15 0.00 0.51 0.00 0.00 43.02 41.32 1pn0 s PHE 574 CO 0.61 0.16 1.54 -2.30 0.70 0.00 0.00 175.22 175.93 1pn0 n PRO 575 N -0.70 1.56 -4.65 0.24 -0.02 -1.26 -4.72 135.00 125.45 1pn0 n PRO 575 Ca -0.00 0.57 -0.24 0.00 -2.02 0.00 0.00 63.50 61.81 1pn0 n PRO 575 Cb 0.53 -2.28 -0.16 0.00 -0.02 0.00 0.00 33.50 31.58 1pn0 n PRO 575 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pn0 s ALA 576 N 1.56 1.27 -1.99 3.55 0.00 -1.26 -0.91 121.76 123.97 1pn0 s ALA 576 Ca 0.86 -0.54 0.14 0.00 0.00 0.00 0.00 51.96 52.42 1pn0 s ALA 576 Cb -0.86 -0.44 0.39 0.00 0.00 0.00 0.00 23.12 22.21 1pn0 s ALA 576 CO 0.48 0.21 1.33 -0.35 0.00 0.00 0.00 175.76 177.43 1pn0 n PRO 577 N 3.25 2.04 -0.12 0.00 -0.04 -1.26 -4.28 135.00 134.59 1pn0 n PRO 577 Ca -0.19 -1.60 -0.05 0.00 -0.04 0.00 0.00 63.50 61.62 1pn0 n PRO 577 Cb 0.53 -1.35 0.03 0.00 -0.04 0.00 0.00 33.50 32.67 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 3.81 0.49 0.00 0.55 0.00 -1.92 -3.22 119.26 118.96 1pn0 h ALA 578 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1pn0 h ALA 578 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1pn0 h ALA 578 CO 0.00 -0.22 -1.52 1.28 0.00 0.00 0.00 179.25 178.79 1pn0 n LEU 579 N -4.99 0.00 -3.89 0.00 4.77 -0.09 -4.82 117.00 107.99 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 0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.14 1pn0 n LEU 579 CO 0.27 0.04 -0.13 -2.28 -1.33 0.00 0.00 177.39 173.96 1pn0 s HIS 580 N -2.64 3.17 0.71 -1.77 2.46 -0.53 -4.68 115.29 112.00 1pn0 s HIS 580 Ca -0.04 -3.15 -0.14 0.00 0.47 0.00 0.00 55.06 52.19 1pn0 s HIS 580 Cb 0.06 -2.64 0.03 0.00 -0.13 0.00 0.00 32.58 29.89 1pn0 s HIS 580 CO 0.43 -0.67 1.15 -2.14 -2.47 0.00 0.00 174.74 171.04 1pn0 s PRO 581 N -0.67 2.43 -0.06 2.88 0.02 -1.22 -4.19 135.00 134.18 1pn0 s PRO 581 Ca 0.20 1.53 -0.29 0.00 0.02 0.00 0.00 61.00 62.46 1pn0 s PRO 581 Cb -0.17 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 1pn0 s PRO 581 CO -0.07 -1.57 1.93 0.21 -0.33 0.00 0.00 177.00 177.17 1pn0 s LYS 582 N -4.09 3.89 -1.47 5.54 2.20 -1.26 -2.48 119.74 122.06 1pn0 s LYS 582 Ca 0.69 2.31 -0.03 0.00 -0.36 0.00 0.00 55.97 58.58 1pn0 s LYS 582 Cb -0.24 -4.16 0.01 0.00 -1.51 0.00 0.00 37.83 31.93 1pn0 s LYS 582 CO 0.44 -1.22 0.25 0.91 -0.36 0.00 0.00 175.35 175.37 1pn0 n TRP 583 N 8.46 -1.50 -4.55 4.03 8.01 -1.26 -4.98 117.44 125.65 1pn0 n TRP 583 Ca 0.21 0.22 -0.23 0.00 -1.31 0.00 0.00 57.50 56.40 1pn0 n TRP 583 Cb 0.43 -3.69 -0.14 0.00 -2.01 0.00 0.00 31.31 25.89 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 -5.37 1.16 -0.07 -0.99 -0.21 -1.04 -5.06 119.66 108.08 1pn0 s GLN 584 Ca 0.15 -0.76 0.13 0.00 0.02 0.00 0.00 55.36 54.90 1pn0 s GLN 584 Cb -0.07 -1.19 0.26 0.00 1.00 0.00 0.00 33.01 33.01 1pn0 s GLN 584 CO 0.18 0.31 1.12 0.66 -2.12 0.00 0.00 175.29 175.44 1pn0 n TYR 585 N 2.11 0.00 -2.16 0.91 4.01 -1.26 -4.55 117.16 116.22 1pn0 n TYR 585 Ca -0.17 -0.63 -0.28 0.00 -0.16 0.00 0.00 57.90 56.66 1pn0 n TYR 585 Cb 0.54 -0.14 0.02 0.00 -0.31 0.00 0.00 39.34 39.45 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 -0.39 5.34 0.00 7.72 8.00 -1.26 -4.65 116.55 131.31 1pn0 n ASP 586 Ca 0.09 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.84 1pn0 n ASP 586 Cb 0.81 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 -4.29 1.24 3.72 -1.26 -5.00 117.46 111.26 1pn0 n PHE 587 Ca 0.44 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.51 1pn0 n PHE 587 Cb 0.73 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.19 2.78 0.15 4.37 1.01 -1.26 -0.64 121.20 126.43 1pn0 s ILE 588 Ca 0.00 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1pn0 s ILE 588 Cb 0.00 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1pn0 s ILE 588 CO 0.00 0.49 -0.14 -0.31 0.00 0.00 0.00 174.94 174.99 1pn0 s TYR 589 N 1.05 1.51 0.03 3.97 1.51 -0.04 -1.39 117.35 123.98 1pn0 s TYR 589 Ca -0.01 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.52 1pn0 s TYR 589 Cb -0.15 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.93 1pn0 s TYR 589 CO -0.03 0.21 -0.15 0.00 -1.11 0.00 0.00 175.55 174.47 1pn0 s ALA 590 N -2.55 1.30 -0.86 3.71 0.00 0.91 -0.91 121.76 123.34 1pn0 s ALA 590 Ca 0.15 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 1pn0 s ALA 590 Cb -0.03 -0.24 0.21 0.00 0.00 0.00 0.00 23.12 23.06 1pn0 s ALA 590 CO 0.04 0.27 0.84 0.34 0.00 0.00 0.00 175.76 177.25 1pn0 s ASP 591 N -0.97 6.79 0.26 0.00 2.15 -0.26 -0.74 116.67 123.90 1pn0 s ASP 591 Ca 0.04 -2.68 -0.15 0.00 0.43 0.00 0.00 52.55 50.19 1pn0 s ASP 591 Cb -0.08 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1pn0 s ASP 591 CO 0.01 -0.62 0.56 0.00 -0.17 0.00 0.00 175.17 174.95 1pn0 s ASP 593 N -2.99 4.57 0.30 0.00 2.15 -1.26 -4.31 116.67 115.13 1pn0 s ASP 593 Ca 0.19 2.39 -0.01 0.00 0.43 0.00 0.00 52.55 55.55 1pn0 s ASP 593 Cb -0.02 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 39.99 1pn0 s ASP 593 CO 0.09 -2.01 0.36 -0.94 -0.17 0.00 0.00 175.17 172.50 1pn0 s SER 594 N -1.84 0.79 0.24 -0.34 1.04 -0.91 -4.91 113.70 107.77 1pn0 s SER 594 Ca 0.76 -1.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.68 1pn0 s SER 594 Cb -0.30 0.57 0.22 0.00 0.10 0.00 0.00 66.02 66.61 1pn0 s SER 594 CO 0.41 -1.13 1.88 -0.50 0.98 0.00 0.00 173.24 174.88 1pn0 h TRP 595 N 2.24 1.24 -0.01 5.02 4.06 -1.97 -3.25 115.95 123.28 1pn0 h TRP 595 Ca -0.29 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.65 1pn0 h TRP 595 Cb 1.24 -0.40 0.00 0.00 -1.00 0.00 0.00 29.16 29.00 1pn0 h TRP 595 CO 1.15 0.84 -0.03 0.72 -3.56 0.00 0.00 178.44 177.55 1pn0 n HIS 596 N -4.35 0.00 -3.89 0.49 8.25 -1.26 -4.99 115.22 109.47 1pn0 n HIS 596 Ca 0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.46 1pn0 n HIS 596 Cb 0.07 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.00 0.10 0.95 4.41 3.76 -1.23 -5.16 115.29 117.11 1pn0 s HIS 597 Ca 0.12 -0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 54.65 1pn0 s HIS 597 Cb 0.09 -0.08 0.16 0.00 1.11 0.00 0.00 32.58 33.86 1pn0 s HIS 597 CO 0.16 -0.29 1.17 -1.25 -0.85 0.00 0.00 174.74 173.67 1pn0 s PRO 598 N -1.64 0.83 0.09 8.40 0.04 -1.26 -2.13 135.00 139.32 1pn0 s PRO 598 Ca -0.13 0.12 -0.34 0.00 0.04 0.00 0.00 61.00 60.69 1pn0 s PRO 598 Cb -0.07 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.52 1pn0 s PRO 598 CO 0.00 -2.38 1.66 1.58 0.04 0.00 0.00 177.00 177.91 1pn0 n HIS 599 N -3.86 2.28 1.27 0.56 -0.00 -1.26 -4.57 115.22 109.64 1pn0 n HIS 599 Ca 0.09 0.19 0.14 0.00 -0.00 0.00 0.00 57.72 58.14 1pn0 n HIS 599 Cb 0.59 -2.58 0.70 0.00 -0.00 0.00 0.00 29.99 28.71 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 4.35 0.30 -3.91 1.57 -0.04 -1.26 -4.91 135.00 131.10 1pn0 n PRO 600 Ca 0.19 0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.39 1pn0 n PRO 600 Cb 0.29 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1pn0 n PRO 600 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pn0 n LYS 601 N -1.34 -4.35 0.08 0.54 4.76 -1.26 -4.89 118.16 111.69 1pn0 n LYS 601 Ca 0.12 0.51 -0.13 0.00 -2.87 0.00 0.00 58.31 55.94 1pn0 n LYS 601 Cb 0.26 -5.06 -0.06 0.00 -1.84 0.00 0.00 35.03 28.33 1pn0 n LYS 601 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1pn0 h SER 602 N -1.87 0.45 -0.58 4.39 0.02 -1.91 -1.63 113.55 112.42 1pn0 h SER 602 Ca -0.61 -0.39 0.09 0.00 -0.84 0.00 0.00 61.79 60.05 1pn0 h SER 602 Cb 1.37 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.70 1pn0 h SER 602 CO 0.64 1.21 0.18 1.88 -1.14 0.00 0.00 176.83 179.60 1pn0 h TYR 603 N 0.17 0.31 -0.64 3.45 -1.99 -1.91 0.36 116.97 116.73 1pn0 h TYR 603 Ca -0.08 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.66 1pn0 h TYR 603 Cb 1.65 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 40.30 1pn0 h TYR 603 CO 0.05 0.06 0.32 0.37 -0.00 0.00 0.00 178.16 178.96 1pn0 h GLN 604 N 0.34 0.91 -0.08 4.88 4.15 -1.71 0.20 115.11 123.81 1pn0 h GLN 604 Ca 0.29 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1pn0 h GLN 604 Cb 0.38 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1pn0 h GLN 604 CO -0.32 0.72 -0.12 0.00 -1.93 0.00 0.00 178.83 177.18 1pn0 h ALA 605 N 1.14 1.65 0.00 3.38 0.00 -0.62 -1.29 119.26 123.52 1pn0 h ALA 605 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pn0 h ALA 605 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pn0 h ALA 605 CO -0.03 0.26 -0.30 0.91 0.00 0.00 0.00 179.25 180.09 1pn0 n TRP 606 N -4.33 0.07 -2.16 0.00 8.01 0.06 -4.68 117.44 114.40 1pn0 n TRP 606 Ca -0.01 0.02 -0.05 0.00 -1.31 0.00 0.00 57.50 56.14 1pn0 n TRP 606 Cb 0.23 -0.40 -0.00 0.00 -2.01 0.00 0.00 31.31 29.13 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 1.48 0.19 3.58 6.99 0.00 0.48 -1.38 105.19 116.53 1pn0 n GLY 607 Ca 0.06 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.34 4.05 0.19 1.61 1.01 0.13 -1.39 120.40 123.67 1pn0 s VAL 608 Ca 0.01 -0.32 -0.32 0.00 0.00 0.00 0.00 61.98 61.36 1pn0 s VAL 608 Cb -0.01 -2.74 -0.11 0.00 0.00 0.00 0.00 36.38 33.52 1pn0 s VAL 608 CO 0.02 0.54 1.69 -0.62 0.00 0.00 0.00 175.10 176.73 1pn0 s ASP 609 N -0.20 6.43 0.37 3.32 2.15 -1.26 -4.29 116.67 123.19 1pn0 s ASP 609 Ca 0.04 2.80 0.08 0.00 0.43 0.00 0.00 52.55 55.91 1pn0 s ASP 609 Cb -0.13 -2.60 0.73 0.00 -0.30 0.00 0.00 42.92 40.63 1pn0 s ASP 609 CO 0.02 -0.94 1.89 -0.33 -0.17 0.00 0.00 175.17 175.65 1pn0 h GLU 610 N 6.90 0.29 0.00 4.34 5.08 -1.94 -0.37 114.58 128.88 1pn0 h GLU 610 Ca -0.43 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1pn0 h GLU 610 Cb 1.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1pn0 h GLU 610 CO 0.95 0.42 -0.32 1.15 -1.00 0.00 0.00 179.01 180.21 1pn0 h THR 611 N 0.27 1.21 0.00 1.13 2.02 -1.92 -2.68 112.91 112.95 1pn0 h THR 611 Ca 0.05 -2.02 -0.10 0.00 0.77 0.00 0.00 66.41 65.11 1pn0 h THR 611 Cb 0.40 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 1pn0 h THR 611 CO 0.02 0.41 -0.82 0.11 0.37 0.00 0.00 175.52 175.61 1pn0 h LYS 612 N -1.00 0.00 0.00 6.66 1.57 -1.91 -1.56 116.57 120.33 1pn0 h LYS 612 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1pn0 h LYS 612 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1pn0 h LYS 612 CO -0.05 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.54 1pn0 n GLY 613 N 1.26 0.63 3.70 3.86 0.00 -0.15 -4.68 105.19 109.80 1pn0 n GLY 613 Ca -0.02 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.82 -2.28 -0.06 4.61 0.00 -0.78 -4.54 121.76 116.89 1pn0 s ALA 614 Ca 0.00 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1pn0 s ALA 614 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1pn0 s ALA 614 CO 0.00 -1.08 -0.16 0.08 0.00 0.00 0.00 175.76 174.60 1pn0 s VAL 615 N -2.32 1.43 -0.09 0.00 1.01 0.19 -0.48 120.40 120.14 1pn0 s VAL 615 Ca 0.17 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1pn0 s VAL 615 Cb 0.04 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1pn0 s VAL 615 CO -0.03 0.42 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 1pn0 s VAL 616 N 0.37 1.12 -0.02 2.92 1.01 -0.30 -0.72 120.40 124.78 1pn0 s VAL 616 Ca -0.12 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1pn0 s VAL 616 Cb -0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1pn0 s VAL 616 CO 0.04 0.37 0.44 -0.69 0.00 0.00 0.00 175.10 175.26 1pn0 s VAL 617 N 1.16 5.03 -0.06 2.92 1.01 -0.24 0.22 120.40 130.45 1pn0 s VAL 617 Ca -0.05 0.91 0.04 0.00 0.00 0.00 0.00 61.98 62.88 1pn0 s VAL 617 Cb -0.14 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1pn0 s VAL 617 CO -0.02 0.51 -0.18 -0.69 0.00 0.00 0.00 175.10 174.72 1pn0 s VAL 618 N -0.65 1.55 0.91 2.92 1.01 0.07 -0.64 120.40 125.57 1pn0 s VAL 618 Ca 0.25 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1pn0 s VAL 618 Cb -0.17 -1.35 0.14 0.00 0.00 0.00 0.00 36.38 35.00 1pn0 s VAL 618 CO 0.13 0.44 1.09 -0.13 0.00 0.00 0.00 175.10 176.64 1pn0 s ARG 619 N 0.25 1.16 0.63 2.72 0.52 0.64 -0.53 118.95 124.35 1pn0 s ARG 619 Ca -0.10 0.84 0.38 0.00 -0.52 0.00 0.00 55.73 56.34 1pn0 s ARG 619 Cb -0.14 -1.80 2.15 0.00 0.52 0.00 0.00 34.95 35.69 1pn0 s ARG 619 CO 0.04 -2.31 2.32 -1.35 0.02 0.00 0.00 175.30 174.02 1pn0 h PRO 620 N -1.60 0.00 -0.51 3.54 0.11 -1.87 -0.57 132.00 131.09 1pn0 h PRO 620 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 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 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 1pn0 n ASP 621 N -3.41 2.74 0.00 -2.05 5.75 -1.26 -4.62 116.55 113.69 1pn0 n ASP 621 Ca -0.03 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1pn0 n ASP 621 Cb 0.08 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1pn0 n ASP 621 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pn0 n GLY 622 N 1.21 0.54 3.78 6.12 0.00 -0.22 -5.00 105.19 111.61 1pn0 n GLY 622 Ca 0.16 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 3.56 0.17 1.61 1.51 -1.26 -0.40 117.35 120.54 1pn0 s TYR 623 Ca 0.00 0.72 -0.31 0.00 -1.01 0.00 0.00 57.07 56.47 1pn0 s TYR 623 Cb 0.00 -2.29 -0.09 0.00 -0.11 0.00 0.00 41.96 39.47 1pn0 s TYR 623 CO 0.00 0.41 1.46 0.99 -1.11 0.00 0.00 175.55 177.30 1pn0 s THR 624 N -0.14 2.88 0.00 -0.71 2.01 -0.41 -0.26 115.64 119.02 1pn0 s THR 624 Ca 0.19 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.85 1pn0 s THR 624 Cb -0.14 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1pn0 s THR 624 CO 0.07 0.07 0.00 -1.54 -0.69 0.00 0.00 174.62 172.53 1pn0 n SER 625 N 3.45 1.02 -3.61 3.53 3.41 0.19 -0.86 113.62 120.75 1pn0 n SER 625 Ca 0.11 -0.32 -0.14 0.00 -0.26 0.00 0.00 58.87 58.26 1pn0 n SER 625 Cb 0.40 0.85 -0.07 0.00 -0.26 0.00 0.00 64.21 65.14 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 -1.90 -0.66 -0.08 1.04 2.96 -1.19 -0.73 118.68 118.10 1pn0 s LEU 626 Ca 0.00 1.18 -0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1pn0 s LEU 626 Cb 0.00 2.34 0.02 0.00 0.50 0.00 0.00 46.19 49.06 1pn0 s LEU 626 CO 0.00 -0.29 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.00 1pn0 s VAL 627 N 0.05 0.76 0.01 1.68 1.01 -1.26 -1.08 120.40 121.57 1pn0 s VAL 627 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1pn0 s VAL 627 Cb -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1pn0 s VAL 627 CO 0.01 0.31 0.01 1.07 0.00 0.00 0.00 175.10 176.50 1pn0 n THR 628 N 4.67 0.00 -3.43 3.92 5.66 0.10 -0.38 114.28 124.82 1pn0 n THR 628 Ca -0.15 -0.03 -0.22 0.00 -3.05 0.00 0.00 64.05 60.60 1pn0 n THR 628 Cb 0.50 0.02 0.02 0.00 -1.55 0.00 0.00 70.33 69.32 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 -1.04 4.93 0.57 1.09 1.47 -1.26 -0.63 116.67 121.80 1pn0 s ASP 629 Ca 0.00 -0.98 0.28 0.00 1.18 0.00 0.00 52.55 53.03 1pn0 s ASP 629 Cb -0.00 0.22 1.69 0.00 -0.34 0.00 0.00 42.92 44.49 1pn0 s ASP 629 CO 0.00 -1.15 2.21 -0.07 0.68 0.00 0.00 175.17 176.84 1pn0 h LEU 630 N 0.51 0.00 -0.00 2.11 3.38 -1.90 -0.66 115.31 118.75 1pn0 h LEU 630 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 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 0.49 0.03 -0.01 -0.62 0.09 0.00 0.00 178.44 178.42 1pn0 n GLU 631 N -3.87 0.05 -0.38 1.13 4.71 -1.26 -4.37 120.64 116.66 1pn0 n GLU 631 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 1pn0 n GLU 631 Cb 0.12 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 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 1.47 2.32 0.20 0.62 0.00 -0.25 -4.47 105.19 105.09 1pn0 n GLY 632 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1pn0 n GLY 632 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pn0 h THR 633 N 0.83 1.22 -0.63 2.61 1.35 -1.81 -2.16 112.91 114.32 1pn0 h THR 633 Ca 0.00 -1.05 -0.09 0.00 -0.55 0.00 0.00 66.41 64.72 1pn0 h THR 633 Cb 0.96 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 1pn0 h THR 633 CO 0.00 0.30 0.03 0.00 -0.25 0.00 0.00 175.52 175.60 1pn0 h ALA 634 N 1.68 0.85 -0.67 6.62 0.00 -1.98 0.11 119.26 125.87 1pn0 h ALA 634 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1pn0 h ALA 634 Cb 0.54 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1pn0 h ALA 634 CO 0.04 0.67 0.23 0.93 0.00 0.00 0.00 179.25 181.12 1pn0 h GLU 635 N 1.00 1.04 -0.34 0.00 3.07 -1.81 0.00 114.58 117.54 1pn0 h GLU 635 Ca 0.18 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1pn0 h GLU 635 Cb 0.54 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1pn0 h GLU 635 CO 0.03 0.89 0.05 0.82 -1.40 0.00 0.00 179.01 179.40 1pn0 h ILE 636 N 0.97 1.24 -0.10 3.13 2.04 -1.20 -1.39 117.51 122.20 1pn0 h ILE 636 Ca 0.22 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1pn0 h ILE 636 Cb 0.27 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1pn0 h ILE 636 CO -0.01 0.28 -0.04 -0.78 0.00 0.00 0.00 178.15 177.60 1pn0 h ASP 637 N 0.39 -0.13 -0.68 1.72 3.58 -0.60 -2.23 116.42 118.47 1pn0 h ASP 637 Ca 0.10 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.52 1pn0 h ASP 637 Cb 0.36 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 1pn0 h ASP 637 CO 0.01 -0.05 0.15 0.03 -2.88 0.00 0.00 179.24 176.49 1pn0 h ARG 638 N -0.02 1.10 -0.35 0.28 3.08 -0.96 -1.38 114.38 116.13 1pn0 h ARG 638 Ca 0.05 -0.28 0.06 0.00 0.07 0.00 0.00 59.98 59.89 1pn0 h ARG 638 Cb 0.10 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 1pn0 h ARG 638 CO -0.12 0.99 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.84 1pn0 h TYR 639 N 1.03 -0.05 0.00 3.04 3.20 -0.99 -2.23 116.97 120.98 1pn0 h TYR 639 Ca 0.21 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.97 1pn0 h TYR 639 Cb 0.40 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1pn0 h TYR 639 CO 0.03 -0.08 -0.66 0.74 -1.64 0.00 0.00 178.16 176.55 1pn0 h PHE 640 N 0.08 0.00 -0.11 -3.82 0.04 -1.29 -3.01 116.94 108.83 1pn0 h PHE 640 Ca 0.17 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 1pn0 h PHE 640 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1pn0 h PHE 640 CO -0.26 0.66 -0.03 0.77 -0.60 0.00 0.00 178.31 178.85 1pn0 h SER 641 N 0.00 0.14 1.02 2.17 0.02 -0.67 0.36 113.55 116.60 1pn0 h SER 641 Ca -0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1pn0 h SER 641 Cb 1.17 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1pn0 h SER 641 CO 0.09 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.59 1pn0 n GLY 642 N -1.23 -1.44 0.94 -3.77 0.00 -0.96 -4.41 105.19 94.32 1pn0 n GLY 642 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.96 0.34 -2.96 -0.61 5.41 -0.56 -4.86 119.36 114.17 1pn0 n ILE 643 Ca 0.05 0.05 -0.27 0.00 1.00 0.00 0.00 62.75 63.58 1pn0 n ILE 643 Cb 0.32 -1.55 -0.01 0.00 -0.71 0.00 0.00 39.64 37.68 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 -6.31 3.81 -0.16 1.39 1.43 0.01 -1.02 118.68 117.83 1pn0 s LEU 644 Ca -0.03 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.82 1pn0 s LEU 644 Cb 0.01 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1pn0 s LEU 644 CO 0.04 -0.43 -0.08 -0.69 0.23 0.00 0.00 176.35 175.41 1pn0 s VAL 645 N -2.51 3.32 0.27 -1.59 1.01 -0.38 -4.78 120.40 115.74 1pn0 s VAL 645 Ca 0.45 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 1pn0 s VAL 645 Cb -0.10 -2.44 -0.13 0.00 0.00 0.00 0.00 36.38 33.71 1pn0 s VAL 645 CO 0.40 0.49 1.49 -0.62 0.00 0.00 0.00 175.10 176.86 1pn0 n GLU 646 N 3.91 2.35 -1.06 2.72 1.02 -1.26 -4.79 120.64 123.53 1pn0 n GLU 646 Ca -0.18 0.84 -0.32 0.00 -0.02 0.00 0.00 57.16 57.48 1pn0 n GLU 646 Cb 0.52 -2.55 0.13 0.00 -0.02 0.00 0.00 31.44 29.51 1pn0 n GLU 646 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1pn0 s PRO 647 N -0.48 1.67 0.25 3.49 0.02 -1.26 -4.92 135.00 133.77 1pn0 s PRO 647 Ca 0.66 1.51 -0.03 0.00 0.02 0.00 0.00 61.00 63.15 1pn0 s PRO 647 Cb -0.57 -1.80 0.39 0.00 0.02 0.00 0.00 34.50 32.53 1pn0 s PRO 647 CO 0.49 -2.14 1.85 -0.22 -0.33 0.00 0.00 177.00 176.66 1pn0 h LYS 648 N -1.22 0.99 -4.62 5.54 3.64 -1.97 -3.37 116.57 115.55 1pn0 h LYS 648 Ca -0.44 -0.06 -0.57 0.00 -1.27 0.00 0.00 60.65 58.31 1pn0 h LYS 648 Cb 1.27 -0.22 -0.35 0.00 -0.41 0.00 0.00 32.23 32.51 1pn0 h LYS 648 CO 0.46 0.65 -0.83 -1.21 -2.27 0.00 0.00 179.45 176.26 1pn0 s GLU 649 N -6.04 2.05 0.32 1.90 2.02 -1.26 -5.10 118.70 112.59 1pn0 s GLU 649 Ca -0.12 -0.49 0.06 0.00 0.02 0.00 0.00 54.97 54.43 1pn0 s GLU 649 Cb 0.20 -1.80 -0.01 0.00 0.10 0.00 0.00 34.13 32.61 1pn0 s GLU 649 CO 0.80 -0.11 0.46 0.15 0.02 0.00 0.00 175.26 176.58 1pn0 s LYS 650 N 1.13 3.19 0.14 1.61 1.02 -1.26 -1.01 119.74 124.57 1pn0 s LYS 650 Ca -0.04 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 54.93 1pn0 s LYS 650 Cb -0.14 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 1pn0 s LYS 650 CO -0.03 0.12 1.49 1.03 -0.92 0.00 0.00 175.35 177.04 1pn0 h SER 651 N 0.91 1.00 -2.66 2.83 0.87 -0.70 -3.32 113.55 112.48 1pn0 h SER 651 Ca -0.47 -0.44 0.01 0.00 -1.23 0.00 0.00 61.79 59.66 1pn0 h SER 651 Cb 1.25 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1pn0 h SER 651 CO 0.55 1.23 -0.02 0.61 -0.53 0.00 0.00 176.83 178.67 1pn0 n GLY 652 N 0.06 -1.59 3.61 5.77 0.00 -0.23 -4.86 105.19 107.95 1pn0 n GLY 652 Ca -0.02 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.13 0.14 -1.77 4.61 0.00 -1.26 -4.64 120.51 117.46 1pn0 n ALA 653 Ca 0.00 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 1pn0 n ALA 653 Cb 0.02 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 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 -1.77 4.15 0.00 0.00 -0.44 -0.28 -4.89 119.66 116.43 1pn0 s GLN 654 Ca 0.60 2.50 0.07 0.00 -2.50 0.00 0.00 55.36 56.03 1pn0 s GLN 654 Cb -0.62 -3.92 0.07 0.00 -1.64 0.00 0.00 33.01 26.90 1pn0 s GLN 654 CO 0.59 -0.88 0.78 0.25 0.50 0.00 0.00 175.29 176.53 1pn0 n THR 655 N 5.24 0.12 -2.96 -0.34 -2.24 -1.26 -4.99 114.28 107.84 1pn0 n THR 655 Ca 0.18 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 61.02 1pn0 n THR 655 Cb 0.41 1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 1pn0 n THR 655 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pn0 s GLU 656 N -0.65 4.53 0.68 -0.78 0.41 -1.26 -5.04 118.70 116.59 1pn0 s GLU 656 Ca 0.09 1.15 -0.14 0.00 -0.41 0.00 0.00 54.97 55.67 1pn0 s GLU 656 Cb 0.06 -3.12 0.01 0.00 -1.78 0.00 0.00 34.13 29.30 1pn0 s GLU 656 CO 0.09 0.49 1.10 0.00 -0.49 0.00 0.00 175.26 176.45 1pn0 s ALA 657 N -1.30 2.47 -0.27 5.21 0.00 -1.26 -4.78 121.76 121.83 1pn0 s ALA 657 Ca 0.40 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.51 1pn0 s ALA 657 Cb -0.21 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1pn0 s ALA 657 CO 0.25 -1.32 2.26 -3.47 0.00 0.00 0.00 175.76 173.48 1pn0 n ASP 658 N -2.67 3.03 0.28 0.00 -0.08 -1.26 -4.77 116.55 111.09 1pn0 n ASP 658 Ca 0.10 0.09 0.19 0.00 -1.51 0.00 0.00 54.79 53.66 1pn0 n ASP 658 Cb 0.52 -1.54 0.93 0.00 2.34 0.00 0.00 41.12 43.37 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 15.71 0.00 0.00 -0.67 5.08 -1.91 -2.35 115.95 131.82 1pn0 h TRP 659 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.60 1pn0 h TRP 659 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 1pn0 h TRP 659 CO 0.94 0.00 0.00 0.25 -1.28 0.00 0.00 178.44 178.35 1pn0 n THR 660 N -2.90 0.57 -0.10 0.12 -2.24 -1.26 -3.56 114.28 104.91 1pn0 n THR 660 Ca -0.01 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.55 1pn0 n THR 660 Cb 0.14 -0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 67.55 1pn0 n THR 660 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pn0 n LYS 661 N -2.02 0.53 0.00 -0.78 4.76 -0.90 -5.15 118.16 114.60 1pn0 n LYS 661 Ca 0.05 0.41 0.06 0.00 -2.87 0.00 0.00 58.31 55.96 1pn0 n LYS 661 Cb 0.34 -1.60 0.37 0.00 -1.84 0.00 0.00 35.03 32.29 1pn0 n LYS 661 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46