#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkl h GLN 2 N 0.00 0.59 -0.14 4.33 5.75 -1.99 -2.75 115.11 120.91 1pkl h GLN 2 Ca 0.00 -0.62 0.05 0.00 -0.15 0.00 0.00 58.65 57.93 1pkl h GLN 2 Cb 0.00 0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 1pkl h GLN 2 CO 0.00 1.23 -0.32 1.25 -2.65 0.00 0.00 178.83 178.34 1pkl h LEU 3 N 0.34 -0.98 -0.47 -2.39 5.85 -2.02 -0.68 115.31 114.96 1pkl h LEU 3 Ca -0.10 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1pkl h LEU 3 Cb 1.62 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 43.04 1pkl h LEU 3 CO 0.18 -0.35 0.30 0.00 -0.34 0.00 0.00 178.44 178.23 1pkl h ALA 4 N 0.44 0.59 -0.94 1.25 0.00 -2.03 -2.65 119.26 115.93 1pkl h ALA 4 Ca 0.10 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1pkl h ALA 4 Cb 0.54 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1pkl h ALA 4 CO -0.35 0.01 0.61 1.25 0.00 0.00 0.00 179.25 180.76 1pkl h HIS 5 N 0.60 1.07 -0.03 0.00 -0.00 -1.07 -1.60 115.15 114.12 1pkl h HIS 5 Ca 0.18 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 1pkl h HIS 5 Cb -0.03 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.02 1pkl h HIS 5 CO -0.05 0.53 -0.03 -0.91 -0.00 0.00 0.00 177.93 177.47 1pkl h ASN 6 N 1.03 0.04 0.20 3.26 2.35 -0.77 -2.38 115.58 119.30 1pkl h ASN 6 Ca 0.42 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.10 1pkl h ASN 6 Cb 0.27 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1pkl h ASN 6 CO -0.17 0.07 -0.26 -0.07 -1.65 0.00 0.00 177.43 175.35 1pkl h LEU 7 N 0.04 0.10 0.00 1.61 3.38 -1.27 -2.88 115.31 116.29 1pkl h LEU 7 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pkl h LEU 7 Cb 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1pkl h LEU 7 CO 0.00 0.36 -0.44 0.35 0.09 0.00 0.00 178.44 178.81 1pkl n THR 8 N -4.20 0.06 -2.10 0.22 -2.24 -0.90 -4.94 114.28 100.18 1pkl n THR 8 Ca -0.02 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 1pkl n THR 8 Cb 0.33 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.64 1pkl n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1pkl s LEU 9 N -3.19 3.53 -0.13 3.22 1.43 -1.09 -5.07 118.68 117.38 1pkl s LEU 9 Ca 0.11 1.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.97 1pkl s LEU 9 Cb 0.17 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.91 1pkl s LEU 9 CO 0.68 -1.12 0.29 -0.55 0.23 0.00 0.00 176.35 175.88 1pkl s SER 10 N -2.71 -0.14 0.00 2.29 0.15 -1.26 -5.03 113.70 107.00 1pkl s SER 10 Ca 0.64 0.64 0.16 0.00 0.70 0.00 0.00 55.95 58.08 1pkl s SER 10 Cb -0.16 0.61 0.93 0.00 -1.71 0.00 0.00 66.02 65.69 1pkl s SER 10 CO 0.35 -0.20 1.50 2.30 1.20 0.00 0.00 173.24 178.40 1pkl n ILE 11 N 4.62 0.00 0.07 6.45 -5.35 -1.26 -2.96 119.36 120.93 1pkl n ILE 11 Ca -0.19 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.39 1pkl n ILE 11 Cb 0.52 -0.35 -0.15 0.00 -1.74 0.00 0.00 39.64 37.93 1pkl n ILE 11 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1pkl n PHE 12 N -0.78 0.00 -2.44 4.28 3.72 -1.26 -4.91 117.46 116.07 1pkl n PHE 12 Ca 0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 1pkl n PHE 12 Cb 0.05 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 1pkl n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1pkl s ASP 13 N -4.09 7.15 0.72 4.37 1.11 -1.15 -4.97 116.67 119.80 1pkl s ASP 13 Ca -0.06 2.12 -0.16 0.00 0.18 0.00 0.00 52.55 54.63 1pkl s ASP 13 Cb 0.12 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.47 1pkl s ASP 13 CO 0.80 -0.35 0.43 -0.81 1.18 0.00 0.00 175.17 176.42 1pkl n PRO 14 N 2.86 0.27 -2.88 8.23 -0.04 -1.26 -4.95 135.00 137.23 1pkl n PRO 14 Ca 0.05 0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 63.26 1pkl n PRO 14 Cb 0.46 -1.74 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1pkl n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1pkl s VAL 15 N -1.92 4.28 0.02 0.52 -7.23 -1.26 -5.00 120.40 109.81 1pkl s VAL 15 Ca 0.64 1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 62.27 1pkl s VAL 15 Cb -0.35 -4.09 -0.05 0.00 0.56 0.00 0.00 36.38 32.44 1pkl s VAL 15 CO 0.59 0.33 1.28 0.00 -0.31 0.00 0.00 175.10 176.99 1pkl s ALA 16 N -1.39 3.50 -1.26 1.32 0.00 -1.26 -4.91 121.76 117.76 1pkl s ALA 16 Ca 0.43 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 1pkl s ALA 16 Cb -0.21 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 19.52 1pkl s ALA 16 CO 0.26 -0.67 1.62 -1.71 0.00 0.00 0.00 175.76 175.26 1pkl n ASN 17 N 4.63 5.05 -3.64 0.00 5.15 -1.26 -4.82 115.26 120.37 1pkl n ASN 17 Ca 0.11 -2.96 -0.03 0.00 -0.60 0.00 0.00 54.58 51.10 1pkl n ASN 17 Cb 0.45 -1.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.01 1pkl n ASN 17 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1pkl s TYR 18 N 2.55 -1.19 -0.25 1.20 5.04 -1.26 -5.12 117.35 118.32 1pkl s TYR 18 Ca 0.47 2.18 -0.06 0.00 -2.44 0.00 0.00 57.07 57.22 1pkl s TYR 18 Cb 0.01 0.71 -0.01 0.00 0.35 0.00 0.00 41.96 43.03 1pkl s TYR 18 CO 0.03 -0.59 0.02 0.50 -1.34 0.00 0.00 175.55 174.17 1pkl s ARG 19 N 2.36 3.35 -0.01 4.97 3.52 -1.26 -4.89 118.95 126.99 1pkl s ARG 19 Ca -0.07 -0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 54.74 1pkl s ARG 19 Cb -0.09 -3.20 -0.32 0.00 -1.56 0.00 0.00 34.95 29.78 1pkl s ARG 19 CO -0.19 -0.27 0.83 0.00 -0.81 0.00 0.00 175.30 174.86 1pkl h ALA 20 N 8.18 0.04 -2.65 6.12 0.00 -1.95 -3.44 119.26 125.55 1pkl h ALA 20 Ca -0.37 -1.02 -0.52 0.00 0.00 0.00 0.00 54.91 53.00 1pkl h ALA 20 Cb 1.15 0.32 0.11 0.00 0.00 0.00 0.00 17.79 19.37 1pkl h ALA 20 CO 0.59 0.91 0.42 0.00 0.00 0.00 0.00 179.25 181.17 1pkl s ALA 21 N -2.59 2.49 0.09 0.00 0.00 -1.26 0.16 121.76 120.64 1pkl s ALA 21 Ca -0.12 0.82 0.07 0.00 0.00 0.00 0.00 51.96 52.73 1pkl s ALA 21 Cb 0.05 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1pkl s ALA 21 CO 0.89 -1.22 -0.11 1.03 0.00 0.00 0.00 175.76 176.35 1pkl s ARG 22 N -3.63 2.12 -0.17 0.00 1.81 -0.54 -4.89 118.95 113.66 1pkl s ARG 22 Ca 0.73 -1.01 -0.03 0.00 -1.72 0.00 0.00 55.73 53.70 1pkl s ARG 22 Cb -0.26 -2.29 -0.02 0.00 -0.45 0.00 0.00 34.95 31.93 1pkl s ARG 22 CO 0.36 0.52 -0.07 0.42 -0.68 0.00 0.00 175.30 175.85 1pkl s ILE 23 N -1.16 3.47 -0.19 1.52 1.01 -1.26 -1.09 121.20 123.49 1pkl s ILE 23 Ca 0.20 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 1pkl s ILE 23 Cb -0.11 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1pkl s ILE 23 CO 0.12 0.48 0.03 -0.63 0.00 0.00 0.00 174.94 174.94 1pkl s ILE 24 N 0.71 4.34 -0.07 2.92 1.01 -0.64 -1.15 121.20 128.32 1pkl s ILE 24 Ca -0.03 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1pkl s ILE 24 Cb -0.15 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1pkl s ILE 24 CO 0.02 0.44 -0.21 0.00 0.00 0.00 0.00 174.94 175.19 1pkl s THR 26 N -0.15 4.91 0.20 0.00 2.01 -0.33 -0.15 115.64 122.13 1pkl s THR 26 Ca -0.03 1.61 -0.23 0.00 0.31 0.00 0.00 61.69 63.36 1pkl s THR 26 Cb -0.14 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 1pkl s THR 26 CO 0.04 0.06 0.76 -0.63 -0.69 0.00 0.00 174.62 174.16 1pkl s ILE 27 N 1.92 4.46 0.00 1.82 -1.09 -0.47 -2.35 121.20 125.48 1pkl s ILE 27 Ca 0.38 1.51 0.00 0.00 -2.23 0.00 0.00 60.65 60.31 1pkl s ILE 27 Cb -0.17 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1pkl s ILE 27 CO 0.14 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1pkl n GLY 28 N 1.11 2.92 0.25 6.18 0.00 -1.25 -4.71 105.19 109.69 1pkl n GLY 28 Ca -0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 1pkl n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pkl h PRO 29 N 0.00 -0.12 0.00 1.61 0.11 -1.73 0.95 132.00 132.82 1pkl h PRO 29 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1pkl h PRO 29 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1pkl h PRO 29 CO 0.00 -0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 176.58 1pkl n SER 30 N -5.37 0.00 -0.12 -2.05 3.41 -0.91 -3.96 113.62 104.62 1pkl n SER 30 Ca 0.02 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1pkl n SER 30 Cb 0.28 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1pkl n SER 30 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pkl n THR 31 N -1.15 0.01 0.09 6.66 -2.24 -0.51 -4.91 114.28 112.23 1pkl n THR 31 Ca 0.13 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.86 1pkl n THR 31 Cb 0.12 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 1pkl n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pkl h GLN 32 N 0.00 0.00 -7.11 -0.78 4.15 -0.99 -3.33 115.11 107.05 1pkl h GLN 32 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 1pkl h GLN 32 Cb 1.09 0.00 0.15 0.00 0.21 0.00 0.00 27.48 28.94 1pkl h GLN 32 CO 0.00 0.85 0.50 -1.54 -1.93 0.00 0.00 178.83 176.71 1pkl s SER 33 N -6.73 4.61 0.40 -0.69 1.04 -1.26 -4.79 113.70 106.28 1pkl s SER 33 Ca 0.01 2.59 0.07 0.00 0.48 0.00 0.00 55.95 59.10 1pkl s SER 33 Cb 0.11 -2.62 0.83 0.00 0.10 0.00 0.00 66.02 64.44 1pkl s SER 33 CO 0.80 -2.00 2.01 -0.37 0.98 0.00 0.00 173.24 174.65 1pkl h VAL 34 N 0.50 1.13 -0.29 5.02 -1.51 -1.89 -0.81 116.25 118.40 1pkl h VAL 34 Ca -0.51 -0.38 -0.02 0.00 -1.23 0.00 0.00 66.70 64.56 1pkl h VAL 34 Cb 1.33 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 1pkl h VAL 34 CO 0.53 0.15 0.10 -0.08 -1.23 0.00 0.00 177.57 177.04 1pkl h GLU 35 N 0.46 0.45 -0.45 5.19 4.57 -1.94 0.11 114.58 122.97 1pkl h GLU 35 Ca 0.12 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1pkl h GLU 35 Cb 0.08 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1pkl h GLU 35 CO -0.01 0.49 0.17 0.00 -1.18 0.00 0.00 179.01 178.48 1pkl h ALA 36 N 0.93 1.46 -0.37 2.92 0.00 -1.73 -1.46 119.26 121.01 1pkl h ALA 36 Ca 0.10 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1pkl h ALA 36 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pkl h ALA 36 CO -0.00 0.41 -0.37 -0.07 0.00 0.00 0.00 179.25 179.22 1pkl h LEU 37 N 0.63 0.97 -0.63 0.00 3.38 -0.59 -1.88 115.31 117.19 1pkl h LEU 37 Ca 0.15 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1pkl h LEU 37 Cb 0.14 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1pkl h LEU 37 CO -0.01 1.23 0.38 0.11 0.09 0.00 0.00 178.44 180.24 1pkl h LYS 38 N 0.71 0.73 -0.26 1.13 1.79 -0.13 -0.34 116.57 120.20 1pkl h LYS 38 Ca 0.06 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1pkl h LYS 38 Cb 0.96 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1pkl h LYS 38 CO 0.09 0.48 -0.12 0.78 -1.08 0.00 0.00 179.45 179.60 1pkl h GLY 39 N 0.75 0.47 1.24 3.86 0.00 -1.09 -0.54 103.07 107.75 1pkl h GLY 39 Ca 0.26 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1pkl h GLY 39 CO -0.11 0.29 -0.26 -2.00 0.00 0.00 0.00 176.54 174.46 1pkl h LEU 40 N 0.41 0.89 -0.33 3.11 5.85 -0.49 -1.45 115.31 123.31 1pkl h LEU 40 Ca 0.08 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 1pkl h LEU 40 Cb 0.46 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1pkl h LEU 40 CO 0.03 1.10 -0.11 0.40 -0.34 0.00 0.00 178.44 179.52 1pkl h ILE 41 N 0.74 1.28 -0.09 4.05 2.04 -0.62 -0.83 117.51 124.08 1pkl h ILE 41 Ca 0.09 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 1pkl h ILE 41 Cb 0.81 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1pkl h ILE 41 CO 0.07 0.38 -0.15 1.56 0.00 0.00 0.00 178.15 180.01 1pkl h GLN 42 N 0.43 0.14 0.00 2.37 4.20 -1.02 -2.76 115.11 118.47 1pkl h GLN 42 Ca 0.08 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1pkl h GLN 42 Cb 0.62 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1pkl h GLN 42 CO 0.04 0.30 -0.47 0.77 -0.67 0.00 0.00 178.83 178.80 1pkl h SER 43 N 0.14 0.00 0.00 1.46 0.02 -1.03 -3.47 113.55 110.67 1pkl h SER 43 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1pkl h SER 43 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1pkl h SER 43 CO 0.02 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.79 1pkl n GLY 44 N 0.84 -0.85 3.73 -3.77 0.00 -0.87 -3.94 105.19 100.33 1pkl n GLY 44 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pkl n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pkl s MET 45 N 0.00 4.42 -0.07 1.61 0.00 -0.37 -4.32 119.30 120.57 1pkl s MET 45 Ca 0.00 1.97 0.06 0.00 0.00 0.00 0.00 55.69 57.72 1pkl s MET 45 Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 34.83 31.51 1pkl s MET 45 CO 0.00 -0.21 0.03 0.43 0.00 0.00 0.00 175.02 175.26 1pkl n SER 46 N 2.82 3.25 -4.02 1.11 7.64 -0.30 -4.67 113.62 119.46 1pkl n SER 46 Ca 0.06 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.73 1pkl n SER 46 Cb 0.44 0.69 -0.15 0.00 -1.01 0.00 0.00 64.21 64.17 1pkl n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1pkl s VAL 47 N -2.18 0.86 -0.33 0.44 1.01 -1.14 -1.98 120.40 117.08 1pkl s VAL 47 Ca -0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1pkl s VAL 47 Cb 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1pkl s VAL 47 CO 0.29 0.26 0.18 0.00 0.00 0.00 0.00 175.10 175.83 1pkl s ALA 48 N 0.14 3.30 -0.16 5.51 0.00 -0.42 -0.96 121.76 129.17 1pkl s ALA 48 Ca -0.03 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.31 1pkl s ALA 48 Cb -0.08 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1pkl s ALA 48 CO 0.01 -1.05 0.30 0.50 0.00 0.00 0.00 175.76 175.51 1pkl s ARG 49 N 1.61 4.24 -0.36 0.00 3.52 0.79 -1.49 118.95 127.26 1pkl s ARG 49 Ca 0.04 0.10 -0.10 0.00 -0.13 0.00 0.00 55.73 55.64 1pkl s ARG 49 Cb -0.18 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1pkl s ARG 49 CO 0.07 0.25 0.18 -1.64 -0.81 0.00 0.00 175.30 173.35 1pkl s MET 50 N 0.43 2.90 -0.67 5.12 -1.94 0.15 -1.37 119.30 123.92 1pkl s MET 50 Ca 0.17 -1.02 -0.26 0.00 -1.71 0.00 0.00 55.69 52.86 1pkl s MET 50 Cb -0.13 -3.66 0.04 0.00 2.01 0.00 0.00 34.83 33.08 1pkl s MET 50 CO 0.04 -0.64 1.18 1.21 -0.01 0.00 0.00 175.02 176.81 1pkl s ASN 51 N 1.55 6.24 0.00 3.03 3.84 -1.26 -0.54 114.94 127.80 1pkl s ASN 51 Ca 0.02 -0.40 0.15 0.00 0.21 0.00 0.00 52.86 52.85 1pkl s ASN 51 Cb -0.19 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 38.88 1pkl s ASN 51 CO 0.06 -1.65 1.47 0.49 -2.79 0.00 0.00 177.10 174.69 1pkl n PHE 52 N 8.75 0.00 1.88 0.43 3.01 -0.08 -3.31 117.46 128.13 1pkl n PHE 52 Ca 0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.63 1pkl n PHE 52 Cb 0.48 0.00 0.83 0.00 -0.01 0.00 0.00 39.48 40.78 1pkl n PHE 52 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pkl n SER 53 N -0.77 0.00 -3.69 4.37 3.41 -1.26 -4.58 113.62 111.09 1pkl n SER 53 Ca 0.11 -1.01 -0.14 0.00 -0.26 0.00 0.00 58.87 57.57 1pkl n SER 53 Cb 0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 1pkl n SER 53 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1pkl s HIS 54 N -2.00 -0.39 0.00 7.33 3.76 -1.21 -5.05 115.29 117.73 1pkl s HIS 54 Ca 0.42 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 56.10 1pkl s HIS 54 Cb 0.19 0.19 0.00 0.00 1.11 0.00 0.00 32.58 34.07 1pkl s HIS 54 CO 0.32 -0.39 0.00 0.41 -0.85 0.00 0.00 174.74 174.23 1pkl n GLY 55 N 1.71 0.26 4.02 -2.22 0.00 -1.26 -4.86 105.19 102.83 1pkl n GLY 55 Ca -0.18 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 1pkl n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pkl s SER 56 N -1.30 4.56 0.58 1.61 1.04 -1.26 -4.94 113.70 113.99 1pkl s SER 56 Ca 0.00 -0.68 0.36 0.00 0.48 0.00 0.00 55.95 56.10 1pkl s SER 56 Cb 0.00 0.32 1.65 0.00 0.10 0.00 0.00 66.02 68.09 1pkl s SER 56 CO 0.00 -1.73 2.10 0.45 0.98 0.00 0.00 173.24 175.03 1pkl h HIS 57 N -0.28 0.00 0.23 5.02 -0.00 -1.99 -2.26 115.15 115.86 1pkl h HIS 57 Ca -0.32 0.00 -0.33 0.00 -0.00 0.00 0.00 60.37 59.72 1pkl h HIS 57 Cb 1.27 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 28.71 1pkl h HIS 57 CO 0.04 0.02 -1.51 1.49 -0.00 0.00 0.00 177.93 177.97 1pkl h GLU 58 N 0.00 0.48 -0.25 2.45 4.81 -1.99 -2.50 114.58 117.59 1pkl h GLU 58 Ca -0.00 -0.82 -0.01 0.00 -0.13 0.00 0.00 59.36 58.41 1pkl h GLU 58 Cb 0.36 0.30 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1pkl h GLU 58 CO 0.00 1.39 0.13 -0.92 -0.73 0.00 0.00 179.01 178.88 1pkl h TYR 59 N 0.13 0.34 0.00 0.92 3.20 -1.82 -2.46 116.97 117.28 1pkl h TYR 59 Ca -0.26 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.50 1pkl h TYR 59 Cb 2.14 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 40.28 1pkl h TYR 59 CO 0.11 0.30 -0.46 0.45 -1.64 0.00 0.00 178.16 176.93 1pkl h HIS 60 N 0.29 0.00 -0.52 -3.82 3.86 -1.54 -2.79 115.15 110.62 1pkl h HIS 60 Ca 0.09 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1pkl h HIS 60 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1pkl h HIS 60 CO -0.03 0.46 0.05 0.37 0.86 0.00 0.00 177.93 179.63 1pkl h GLN 61 N 0.00 0.84 -0.56 2.45 5.75 -1.20 0.12 115.11 122.52 1pkl h GLN 61 Ca -0.00 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.23 1pkl h GLN 61 Cb 1.02 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 1pkl h GLN 61 CO 0.06 0.81 0.14 1.15 -2.65 0.00 0.00 178.83 178.34 1pkl h THR 62 N 0.79 1.25 -0.32 2.39 2.02 -1.18 -0.79 112.91 117.06 1pkl h THR 62 Ca 0.16 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1pkl h THR 62 Cb 0.40 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1pkl h THR 62 CO 0.01 0.32 0.19 0.74 0.37 0.00 0.00 175.52 177.15 1pkl h THR 63 N 0.79 1.12 -0.18 3.16 2.02 -1.24 0.11 112.91 118.70 1pkl h THR 63 Ca 0.18 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.09 1pkl h THR 63 Cb 0.34 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1pkl h THR 63 CO 0.00 0.12 -0.02 0.40 0.37 0.00 0.00 175.52 176.39 1pkl h ILE 64 N 0.41 0.85 -0.53 3.11 2.04 -0.73 0.19 117.51 122.85 1pkl h ILE 64 Ca 0.11 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 1pkl h ILE 64 Cb 0.03 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1pkl h ILE 64 CO -0.02 0.01 0.08 0.78 0.00 0.00 0.00 178.15 178.99 1pkl h ASN 65 N 0.03 0.85 -0.09 1.72 2.35 -0.88 -1.75 115.58 117.81 1pkl h ASN 65 Ca 0.08 -0.26 -0.13 0.00 -0.55 0.00 0.00 56.30 55.44 1pkl h ASN 65 Cb 0.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1pkl h ASN 65 CO -0.16 0.90 -0.38 0.78 -1.65 0.00 0.00 177.43 176.92 1pkl h ASN 66 N 0.77 0.64 -0.27 5.81 2.35 -0.53 -0.31 115.58 124.04 1pkl h ASN 66 Ca 0.16 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1pkl h ASN 66 Cb 0.42 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1pkl h ASN 66 CO 0.01 0.96 -0.08 0.58 -1.65 0.00 0.00 177.43 177.25 1pkl h VAL 67 N 0.51 1.29 -0.65 2.81 2.07 -0.91 0.35 116.25 121.71 1pkl h VAL 67 Ca 0.05 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.49 1pkl h VAL 67 Cb 0.89 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1pkl h VAL 67 CO 0.08 0.35 0.38 -0.09 0.02 0.00 0.00 177.57 178.31 1pkl h ARG 68 N 0.28 0.71 -0.12 1.57 9.65 -1.18 -0.98 114.38 124.32 1pkl h ARG 68 Ca 0.07 -0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 58.75 1pkl h ARG 68 Cb 0.57 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1pkl h ARG 68 CO 0.03 0.47 -0.53 0.37 2.80 0.00 0.00 179.97 183.11 1pkl h GLN 69 N 0.73 0.57 -0.37 0.20 4.15 -0.88 -2.13 115.11 117.38 1pkl h GLN 69 Ca 0.28 -0.45 0.03 0.00 0.77 0.00 0.00 58.65 59.28 1pkl h GLN 69 Cb 0.10 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1pkl h GLN 69 CO -0.14 1.08 0.16 0.00 -1.93 0.00 0.00 178.83 178.00 1pkl h ALA 70 N 0.50 0.44 -0.24 3.38 0.00 -0.71 -1.18 119.26 121.45 1pkl h ALA 70 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pkl h ALA 70 Cb 1.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1pkl h ALA 70 CO 0.11 -0.22 0.13 0.00 0.00 0.00 0.00 179.25 179.28 1pkl h ALA 71 N 1.21 0.31 -0.11 0.00 0.00 -1.21 -2.18 119.26 117.29 1pkl h ALA 71 Ca 0.16 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1pkl h ALA 71 Cb 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1pkl h ALA 71 CO -0.13 -0.16 -0.08 0.00 0.00 0.00 0.00 179.25 178.87 1pkl h ALA 72 N 1.02 0.00 0.00 0.00 0.00 -1.05 0.92 119.26 120.15 1pkl h ALA 72 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1pkl h ALA 72 Cb 0.06 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pkl h ALA 72 CO -0.01 -0.54 -0.14 0.93 0.00 0.00 0.00 179.25 179.48 1pkl h GLU 73 N -0.10 0.00 -0.01 0.00 5.08 -1.12 -1.74 114.58 116.69 1pkl h GLU 73 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1pkl h GLU 73 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1pkl h GLU 73 CO -0.17 0.14 -0.20 1.28 -1.00 0.00 0.00 179.01 179.07 1pkl n LEU 74 N -3.86 1.63 -1.18 1.33 4.77 -0.81 -4.97 117.00 113.90 1pkl n LEU 74 Ca -0.02 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.31 1pkl n LEU 74 Cb 0.24 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1pkl n LEU 74 CO 0.32 0.29 -0.14 0.61 -1.33 0.00 0.00 177.39 177.14 1pkl n GLY 75 N 1.31 0.40 3.67 -0.72 0.00 0.23 -5.03 105.19 105.06 1pkl n GLY 75 Ca 0.14 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1pkl n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pkl s VAL 76 N -2.53 1.32 -0.21 1.61 -7.23 -0.65 -5.02 120.40 107.69 1pkl s VAL 76 Ca 0.00 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1pkl s VAL 76 Cb 0.00 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.50 1pkl s VAL 76 CO 0.00 0.00 -0.14 0.20 -0.31 0.00 0.00 175.10 174.85 1pkl s ASN 77 N -3.77 3.68 -0.10 4.85 0.01 -1.26 -4.33 114.94 114.02 1pkl s ASN 77 Ca 0.18 -0.69 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 1pkl s ASN 77 Cb 0.05 -1.57 -0.01 0.00 0.41 0.00 0.00 41.25 40.12 1pkl s ASN 77 CO 0.09 -0.04 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.83 1pkl s ILE 78 N 1.32 2.57 0.50 0.60 -1.09 -1.26 -4.81 121.20 119.03 1pkl s ILE 78 Ca 0.03 -0.85 -0.20 0.00 -2.23 0.00 0.00 60.65 57.41 1pkl s ILE 78 Cb -0.14 -2.03 -0.08 0.00 -1.58 0.00 0.00 42.46 38.63 1pkl s ILE 78 CO -0.09 0.55 1.05 0.00 -1.23 0.00 0.00 174.94 175.22 1pkl s ALA 79 N 0.19 2.84 -0.16 9.38 0.00 -0.84 -4.90 121.76 128.27 1pkl s ALA 79 Ca -0.11 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.50 1pkl s ALA 79 Cb -0.16 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1pkl s ALA 79 CO 0.06 -0.39 -0.21 0.42 0.00 0.00 0.00 175.76 175.64 1pkl s ILE 80 N -1.96 2.08 -0.07 0.00 1.01 -1.26 -1.30 121.20 119.70 1pkl s ILE 80 Ca 0.68 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1pkl s ILE 80 Cb -0.17 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1pkl s ILE 80 CO 0.21 0.54 -0.17 0.00 0.00 0.00 0.00 174.94 175.53 1pkl s ALA 81 N 1.10 2.53 -0.39 9.38 0.00 -0.56 -1.19 121.76 132.63 1pkl s ALA 81 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1pkl s ALA 81 Cb -0.14 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.10 1pkl s ALA 81 CO -0.08 0.46 0.22 -1.17 0.00 0.00 0.00 175.76 175.19 1pkl s LEU 82 N -0.39 4.89 -0.38 0.00 0.20 -0.65 -0.67 118.68 121.68 1pkl s LEU 82 Ca 0.04 -1.30 -0.22 0.00 0.69 0.00 0.00 54.13 53.34 1pkl s LEU 82 Cb -0.12 -1.98 0.01 0.00 -0.43 0.00 0.00 46.19 43.67 1pkl s LEU 82 CO 0.02 -0.46 0.70 -0.62 -0.29 0.00 0.00 176.35 175.70 1pkl s ASP 83 N 1.84 6.45 0.57 3.68 -1.08 0.30 -1.15 116.67 127.27 1pkl s ASP 83 Ca 0.02 0.12 -0.20 0.00 -0.52 0.00 0.00 52.55 51.98 1pkl s ASP 83 Cb -0.21 -2.36 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 1pkl s ASP 83 CO 0.04 -0.70 1.22 -0.89 0.52 0.00 0.00 175.17 175.35 1pkl s THR 84 N 2.93 2.65 0.10 1.71 2.01 -0.65 -0.91 115.64 123.48 1pkl s THR 84 Ca 0.27 0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 1pkl s THR 84 Cb -0.14 -3.18 -0.19 0.00 0.01 0.00 0.00 72.50 69.00 1pkl s THR 84 CO 0.17 -0.07 1.26 0.50 -0.69 0.00 0.00 174.62 175.80 1pkl h LYS 85 N 1.14 0.69 -0.56 4.92 3.64 -1.90 -3.39 116.57 121.11 1pkl h LYS 85 Ca -0.50 -0.66 0.06 0.00 -1.27 0.00 0.00 60.65 58.28 1pkl h LYS 85 Cb 1.29 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 1pkl h LYS 85 CO 0.56 1.26 -0.15 0.41 -2.27 0.00 0.00 179.45 179.25 1pkl n GLY 86 N 0.90 -2.09 3.77 5.01 0.00 -1.26 -4.90 105.19 106.61 1pkl n GLY 86 Ca -0.09 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 1pkl n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pkl s PRO 87 N -2.26 3.56 0.30 1.61 0.04 -1.26 -4.87 135.00 132.13 1pkl s PRO 87 Ca 0.00 1.81 0.03 0.00 0.04 0.00 0.00 61.00 62.88 1pkl s PRO 87 Cb 0.00 -2.29 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1pkl s PRO 87 CO 0.00 -0.72 0.07 -1.21 0.04 0.00 0.00 177.00 175.18 1pkl s GLU 88 N -2.86 1.58 -0.22 4.56 2.02 -1.26 -5.01 118.70 117.51 1pkl s GLU 88 Ca 0.67 -1.87 -0.04 0.00 0.02 0.00 0.00 54.97 53.75 1pkl s GLU 88 Cb -0.30 -0.67 0.09 0.00 0.10 0.00 0.00 34.13 33.35 1pkl s GLU 88 CO 0.35 -0.22 0.19 0.42 0.02 0.00 0.00 175.26 176.02 1pkl s ILE 89 N -3.44 -0.26 0.20 -1.63 1.01 -1.26 -4.92 121.20 110.90 1pkl s ILE 89 Ca 0.37 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.87 1pkl s ILE 89 Cb 0.08 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 1pkl s ILE 89 CO 0.15 -0.31 -0.16 -0.13 0.00 0.00 0.00 174.94 174.49 1pkl s ARG 90 N 2.27 1.33 0.67 2.79 0.52 -1.26 -1.01 118.95 124.25 1pkl s ARG 90 Ca 0.06 -1.54 -0.08 0.00 -0.52 0.00 0.00 55.73 53.65 1pkl s ARG 90 Cb -0.16 -1.22 0.03 0.00 0.52 0.00 0.00 34.95 34.13 1pkl s ARG 90 CO -0.16 0.22 1.01 0.95 0.02 0.00 0.00 175.30 177.34 1pkl s THR 91 N -2.65 3.11 0.00 0.02 -4.23 -1.23 -1.63 115.64 109.03 1pkl s THR 91 Ca 0.21 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1pkl s THR 91 Cb -0.03 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1pkl s THR 91 CO 0.07 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1pkl n GLY 92 N -2.86 -0.68 3.94 3.99 0.00 -0.50 -3.65 105.19 105.43 1pkl n GLY 92 Ca 0.06 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 1pkl n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pkl s GLN 93 N -0.45 2.75 0.18 1.61 -0.21 0.76 -2.70 119.66 121.61 1pkl s GLN 93 Ca 0.00 -0.32 0.09 0.00 0.02 0.00 0.00 55.36 55.15 1pkl s GLN 93 Cb 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1pkl s GLN 93 CO 0.00 -0.69 -0.18 -0.06 -2.12 0.00 0.00 175.29 172.23 1pkl s PHE 94 N -2.89 1.88 -0.35 0.91 0.08 -1.26 -2.61 117.98 113.74 1pkl s PHE 94 Ca 0.54 -0.46 -0.29 0.00 0.12 0.00 0.00 56.93 56.84 1pkl s PHE 94 Cb -0.10 -0.92 0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1pkl s PHE 94 CO 0.42 0.37 1.30 0.08 -0.10 0.00 0.00 175.22 177.30 1pkl s VAL 95 N -2.16 4.10 0.00 -0.44 1.01 0.48 -1.58 120.40 121.80 1pkl s VAL 95 Ca 0.18 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1pkl s VAL 95 Cb -0.05 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1pkl s VAL 95 CO 0.07 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1pkl n GLY 96 N 4.56 0.79 2.29 4.51 0.00 -1.26 -4.17 105.19 111.92 1pkl n GLY 96 Ca 0.15 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1pkl n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkl n GLY 97 N -2.37 0.05 3.36 -0.02 0.00 -0.62 -4.91 105.19 100.68 1pkl n GLY 97 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1pkl n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkl s ASP 98 N -2.04 -0.37 -0.29 1.61 2.15 -1.26 -3.89 116.67 112.57 1pkl s ASP 98 Ca 0.00 -0.16 0.04 0.00 0.43 0.00 0.00 52.55 52.86 1pkl s ASP 98 Cb 0.00 0.52 0.19 0.00 -0.30 0.00 0.00 42.92 43.33 1pkl s ASP 98 CO 0.00 -0.89 0.55 0.00 -0.17 0.00 0.00 175.17 174.66 1pkl s ALA 99 N -3.69 -2.14 -0.73 3.66 0.00 -0.80 -4.45 121.76 113.61 1pkl s ALA 99 Ca 0.02 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 52.70 1pkl s ALA 99 Cb 0.01 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1pkl s ALA 99 CO -0.12 -1.75 1.42 0.08 0.00 0.00 0.00 175.76 175.39 1pkl s VAL 100 N 2.77 3.65 0.23 0.00 1.01 -1.26 -2.55 120.40 124.25 1pkl s VAL 100 Ca 0.11 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.13 1pkl s VAL 100 Cb -0.11 -4.71 -0.09 0.00 0.00 0.00 0.00 36.38 31.47 1pkl s VAL 100 CO -0.26 -1.65 0.88 -0.04 0.00 0.00 0.00 175.10 174.02 1pkl s MET 101 N 6.00 4.68 -0.02 2.72 -1.94 -0.88 -4.94 119.30 124.91 1pkl s MET 101 Ca 0.43 1.32 0.03 0.00 -1.71 0.00 0.00 55.69 55.75 1pkl s MET 101 Cb -0.09 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.59 1pkl s MET 101 CO 0.15 0.48 -0.10 -1.21 -0.01 0.00 0.00 175.02 174.34 1pkl s GLU 102 N -1.38 1.00 0.12 2.03 2.02 -1.26 -1.89 118.70 119.33 1pkl s GLU 102 Ca 0.41 -0.33 -0.35 0.00 0.02 0.00 0.00 54.97 54.72 1pkl s GLU 102 Cb -0.23 -0.93 -0.16 0.00 0.10 0.00 0.00 34.13 32.90 1pkl s GLU 102 CO 0.28 0.14 1.22 -2.13 0.02 0.00 0.00 175.26 174.79 1pkl n ARG 103 N 3.22 1.04 -0.99 1.61 0.63 -1.26 -1.38 116.66 119.54 1pkl n ARG 103 Ca -0.18 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1pkl n ARG 103 Cb 0.54 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1pkl n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pkl n GLY 104 N 2.20 0.94 3.89 5.14 0.00 0.38 -4.94 105.19 112.80 1pkl n GLY 104 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1pkl n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl s ALA 105 N -3.76 2.91 -0.06 4.61 0.00 -0.48 -4.80 121.76 120.19 1pkl s ALA 105 Ca 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1pkl s ALA 105 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 1pkl s ALA 105 CO 0.00 -1.16 -0.15 0.99 0.00 0.00 0.00 175.76 175.44 1pkl s THR 106 N -3.35 2.94 0.13 0.00 2.01 -1.26 -1.21 115.64 114.91 1pkl s THR 106 Ca 0.58 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 1pkl s THR 106 Cb -0.11 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1pkl s THR 106 CO 0.51 0.58 0.17 0.00 -0.69 0.00 0.00 174.62 175.19 1pkl s TYR 108 N -3.97 2.04 -0.19 0.00 1.51 0.13 -0.83 117.35 116.04 1pkl s TYR 108 Ca 0.17 -0.72 -0.06 0.00 -1.01 0.00 0.00 57.07 55.44 1pkl s TYR 108 Cb 0.05 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1pkl s TYR 108 CO -0.02 -0.29 0.03 0.08 -1.11 0.00 0.00 175.55 174.25 1pkl s VAL 109 N 0.26 4.42 0.09 0.71 1.01 0.63 -2.47 120.40 125.05 1pkl s VAL 109 Ca -0.12 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1pkl s VAL 109 Cb -0.15 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1pkl s VAL 109 CO 0.05 0.44 -0.15 0.28 0.00 0.00 0.00 175.10 175.72 1pkl s THR 110 N 0.62 1.27 -0.95 3.92 -1.32 0.28 -0.31 115.64 119.16 1pkl s THR 110 Ca 0.01 -1.44 0.23 0.00 -1.21 0.00 0.00 61.69 59.28 1pkl s THR 110 Cb -0.13 -1.26 -0.14 0.00 -1.51 0.00 0.00 72.50 69.46 1pkl s THR 110 CO 0.02 -0.24 1.08 0.41 -2.21 0.00 0.00 174.62 173.68 1pkl n THR 111 N 1.08 0.02 -1.65 5.08 -1.04 -0.57 -1.76 114.28 115.43 1pkl n THR 111 Ca -0.20 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.36 1pkl n THR 111 Cb 0.55 0.65 -0.03 0.00 -1.82 0.00 0.00 70.33 69.67 1pkl n THR 111 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pkl s ASP 112 N -3.11 6.13 0.65 8.00 2.15 -1.26 -4.87 116.67 124.36 1pkl s ASP 112 Ca 0.08 2.42 0.37 0.00 0.43 0.00 0.00 52.55 55.85 1pkl s ASP 112 Cb 0.16 -2.52 2.02 0.00 -0.30 0.00 0.00 42.92 42.28 1pkl s ASP 112 CO 0.81 -1.34 2.17 -0.65 -0.17 0.00 0.00 175.17 175.99 1pkl h PRO 113 N 12.02 0.00 0.00 4.34 0.11 -1.98 -2.67 132.00 143.82 1pkl h PRO 113 Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1pkl h PRO 113 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1pkl h PRO 113 CO 0.95 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.54 1pkl h ALA 114 N 1.74 1.26 -0.36 -0.75 0.00 -2.00 -2.84 119.26 116.31 1pkl h ALA 114 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pkl h ALA 114 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pkl h ALA 114 CO -0.00 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.68 1pkl n PHE 115 N -3.70 1.09 0.31 0.00 3.01 -1.01 -4.31 117.46 112.85 1pkl n PHE 115 Ca -0.01 -0.40 0.19 0.00 1.01 0.00 0.00 57.45 58.24 1pkl n PHE 115 Cb 0.31 -0.27 0.96 0.00 -0.01 0.00 0.00 39.48 40.47 1pkl n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pkl h ALA 116 N 3.34 1.05 0.00 4.37 0.00 -1.70 -3.15 119.26 123.16 1pkl h ALA 116 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pkl h ALA 116 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1pkl h ALA 116 CO 0.22 0.02 -0.14 -0.40 0.00 0.00 0.00 179.25 178.95 1pkl n ASP 117 N -3.17 0.72 -0.59 0.00 5.68 -1.26 -0.17 116.55 117.76 1pkl n ASP 117 Ca -0.02 -0.12 0.03 0.00 -0.50 0.00 0.00 54.79 54.18 1pkl n ASP 117 Cb 0.18 0.39 0.11 0.00 -1.14 0.00 0.00 41.12 40.66 1pkl n ASP 117 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1pkl n LYS 118 N -0.46 1.75 -1.74 0.11 5.02 -1.19 -4.22 118.16 117.42 1pkl n LYS 118 Ca 0.00 -0.86 -0.42 0.00 -2.02 0.00 0.00 58.31 55.01 1pkl n LYS 118 Cb 0.00 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 1pkl n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pkl n GLY 119 N 0.64 1.15 3.28 0.72 0.00 -1.07 -4.75 105.19 105.15 1pkl n GLY 119 Ca 0.08 0.40 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 1pkl n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pkl s THR 120 N -0.51 0.00 -0.21 2.61 -4.23 -0.56 -0.39 115.64 112.35 1pkl s THR 120 Ca 0.60 -1.89 0.24 0.00 -1.18 0.00 0.00 61.69 59.46 1pkl s THR 120 Cb -0.51 -2.45 0.25 0.00 1.34 0.00 0.00 72.50 71.13 1pkl s THR 120 CO 0.55 0.00 1.74 0.07 -0.54 0.00 0.00 174.62 176.44 1pkl h LYS 121 N 2.53 0.00 0.01 3.99 2.10 -1.91 -2.61 116.57 120.68 1pkl h LYS 121 Ca -0.34 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.98 1pkl h LYS 121 Cb 1.25 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.52 1pkl h LYS 121 CO 0.49 0.00 -2.04 -0.25 -2.00 0.00 0.00 179.45 175.65 1pkl n ASP 122 N -2.34 0.76 -3.66 7.07 8.00 -1.26 -4.69 116.55 120.43 1pkl n ASP 122 Ca -0.00 0.20 -0.07 0.00 0.71 0.00 0.00 54.79 55.63 1pkl n ASP 122 Cb 0.10 0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 41.34 1pkl n ASP 122 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1pkl s LYS 123 N -2.55 0.49 0.23 -1.24 2.20 -0.98 0.19 119.74 118.08 1pkl s LYS 123 Ca -0.11 1.11 -0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1pkl s LYS 123 Cb 0.07 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 1pkl s LYS 123 CO 0.80 -0.19 0.23 -0.59 -0.36 0.00 0.00 175.35 175.24 1pkl s PHE 124 N 2.10 1.10 0.29 4.03 -0.71 -1.03 -1.50 117.98 122.27 1pkl s PHE 124 Ca -0.07 -1.30 -0.00 0.00 -1.04 0.00 0.00 56.93 54.52 1pkl s PHE 124 Cb -0.09 -0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 41.25 1pkl s PHE 124 CO -0.16 -0.76 0.49 -0.47 -1.34 0.00 0.00 175.22 172.99 1pkl s TYR 125 N -3.98 3.49 -0.17 3.49 5.04 -1.25 -0.55 117.35 123.41 1pkl s TYR 125 Ca 0.36 0.35 -0.04 0.00 -2.44 0.00 0.00 57.07 55.30 1pkl s TYR 125 Cb 0.05 -1.88 0.08 0.00 0.35 0.00 0.00 41.96 40.56 1pkl s TYR 125 CO 0.14 0.22 0.24 0.42 -1.34 0.00 0.00 175.55 175.24 1pkl s ILE 126 N -2.15 -0.38 -2.00 3.14 1.01 -0.72 -1.41 121.20 118.70 1pkl s ILE 126 Ca 0.40 0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.12 1pkl s ILE 126 Cb -0.10 -0.58 0.04 0.00 0.01 0.00 0.00 42.46 41.83 1pkl s ILE 126 CO 0.33 -0.06 0.45 -0.90 0.00 0.00 0.00 174.94 174.76 1pkl n ASP 127 N 5.33 0.00 -4.42 3.58 5.68 -0.65 -4.47 116.55 121.61 1pkl n ASP 127 Ca -0.05 -0.07 -0.44 0.00 -0.50 0.00 0.00 54.79 53.73 1pkl n ASP 127 Cb 0.50 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 1pkl n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1pkl s TYR 128 N -2.00 2.91 -1.07 2.11 5.04 -1.26 -4.90 117.35 118.17 1pkl s TYR 128 Ca 0.02 -0.90 0.00 0.00 -2.44 0.00 0.00 57.07 53.75 1pkl s TYR 128 Cb 0.01 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 38.14 1pkl s TYR 128 CO 0.02 -1.48 0.93 1.04 -1.34 0.00 0.00 175.55 174.72 1pkl n GLN 129 N 6.89 0.00 0.00 4.97 6.02 -1.26 -1.49 117.38 132.51 1pkl n GLN 129 Ca -0.00 0.44 0.08 0.00 -0.01 0.00 0.00 57.00 57.51 1pkl n GLN 129 Cb 0.45 -1.51 0.03 0.00 1.02 0.00 0.00 30.24 30.23 1pkl n GLN 129 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pkl n ASN 130 N -1.43 1.96 -0.35 1.08 3.02 -1.26 -4.69 115.26 113.59 1pkl n ASN 130 Ca 0.00 -1.48 0.07 0.00 -0.03 0.00 0.00 54.58 53.14 1pkl n ASN 130 Cb 0.01 0.26 0.16 0.00 -0.61 0.00 0.00 39.78 39.61 1pkl n ASN 130 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1pkl n LEU 131 N 0.35 -0.32 0.20 3.41 7.94 -0.55 -2.22 117.00 125.81 1pkl n LEU 131 Ca 0.08 1.70 -0.15 0.00 -1.11 0.00 0.00 56.01 56.53 1pkl n LEU 131 Cb 0.37 -0.53 -0.08 0.00 0.53 0.00 0.00 43.42 43.72 1pkl n LEU 131 CO 0.16 -1.65 0.61 -1.28 -1.11 0.00 0.00 177.39 174.13 1pkl h SER 132 N 0.00 -1.04 -0.40 1.96 0.87 -1.84 -2.31 113.55 110.79 1pkl h SER 132 Ca 0.50 0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 61.07 1pkl h SER 132 Cb 0.81 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 1pkl h SER 132 CO -1.01 -0.50 -0.05 0.07 -0.53 0.00 0.00 176.83 174.82 1pkl h LYS 133 N -0.73 0.83 -0.06 2.24 2.10 -1.80 -3.22 116.57 115.93 1pkl h LYS 133 Ca -0.01 -0.25 -0.16 0.00 -2.00 0.00 0.00 60.65 58.22 1pkl h LYS 133 Cb 0.68 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 1pkl h LYS 133 CO -0.11 0.86 -0.68 0.28 -2.00 0.00 0.00 179.45 177.80 1pkl h VAL 134 N 0.76 1.41 -3.32 0.07 2.07 -1.45 -3.44 116.25 112.35 1pkl h VAL 134 Ca 0.14 -2.14 -0.56 0.00 0.82 0.00 0.00 66.70 64.95 1pkl h VAL 134 Cb 0.53 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 1pkl h VAL 134 CO 0.03 0.63 0.01 -0.69 0.02 0.00 0.00 177.57 177.58 1pkl s VAL 135 N -3.62 4.80 0.29 2.57 1.01 -0.87 -4.87 120.40 119.71 1pkl s VAL 135 Ca -0.04 1.32 0.10 0.00 0.00 0.00 0.00 61.98 63.35 1pkl s VAL 135 Cb 0.11 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1pkl s VAL 135 CO 0.81 0.46 -0.00 -0.13 0.00 0.00 0.00 175.10 176.24 1pkl s ARG 136 N -0.52 2.18 0.23 2.72 0.52 -1.26 -4.91 118.95 117.91 1pkl s ARG 136 Ca 0.32 -1.55 -0.30 0.00 -0.52 0.00 0.00 55.73 53.67 1pkl s ARG 136 Cb -0.19 -2.06 -0.10 0.00 0.52 0.00 0.00 34.95 33.12 1pkl s ARG 136 CO 0.19 0.27 1.46 -1.25 0.02 0.00 0.00 175.30 175.99 1pkl s PRO 137 N -3.69 4.26 0.00 3.54 0.04 -1.26 -2.28 135.00 135.61 1pkl s PRO 137 Ca 0.33 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1pkl s PRO 137 Cb -0.04 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1pkl s PRO 137 CO 0.20 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1pkl n GLY 138 N 2.48 2.55 3.68 0.56 0.00 0.67 -4.98 105.19 110.14 1pkl n GLY 138 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1pkl n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pkl s ASN 139 N -1.08 2.71 0.16 1.61 0.02 -0.97 -4.77 114.94 112.62 1pkl s ASN 139 Ca 0.00 1.26 0.11 0.00 -1.02 0.00 0.00 52.86 53.21 1pkl s ASN 139 Cb 0.00 -1.93 -0.04 0.00 0.02 0.00 0.00 41.25 39.30 1pkl s ASN 139 CO 0.00 -3.09 -0.22 -0.31 0.02 0.00 0.00 177.10 173.50 1pkl s TYR 140 N -2.94 2.38 -0.17 2.20 2.02 -1.26 -1.62 117.35 117.96 1pkl s TYR 140 Ca 0.65 -0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 57.02 1pkl s TYR 140 Cb -0.19 -1.22 0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1pkl s TYR 140 CO 0.58 0.44 -0.07 0.42 -1.57 0.00 0.00 175.55 175.35 1pkl s ILE 141 N -1.44 1.30 -0.15 2.71 1.01 0.10 -4.19 121.20 120.55 1pkl s ILE 141 Ca 0.19 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 1pkl s ILE 141 Cb -0.09 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1pkl s ILE 141 CO 0.09 0.16 0.32 -0.31 0.00 0.00 0.00 174.94 175.21 1pkl s TYR 142 N 1.55 3.48 -0.01 3.97 2.02 -0.19 -0.61 117.35 127.56 1pkl s TYR 142 Ca 0.00 0.65 0.04 0.00 -0.37 0.00 0.00 57.07 57.40 1pkl s TYR 142 Cb -0.15 -2.36 -0.01 0.00 -0.40 0.00 0.00 41.96 39.04 1pkl s TYR 142 CO -0.08 0.26 -0.14 0.42 -1.57 0.00 0.00 175.55 174.44 1pkl s ILE 143 N 0.38 1.14 -0.37 2.71 1.01 0.29 0.59 121.20 126.94 1pkl s ILE 143 Ca 0.18 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 1pkl s ILE 143 Cb -0.13 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.40 1pkl s ILE 143 CO 0.05 0.32 0.37 -0.67 0.00 0.00 0.00 174.94 175.01 1pkl n ASP 144 N 2.77 -7.79 -2.39 3.58 2.03 0.10 -1.65 116.55 113.21 1pkl n ASP 144 Ca -0.15 0.84 -0.17 0.00 0.52 0.00 0.00 54.79 55.84 1pkl n ASP 144 Cb 0.55 -5.23 -0.01 0.00 -0.72 0.00 0.00 41.12 35.70 1pkl n ASP 144 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1pkl n ASP 145 N 0.06 -4.95 -0.26 1.67 2.03 -1.26 -1.13 116.55 112.70 1pkl n ASP 145 Ca 0.07 0.09 -0.03 0.00 0.52 0.00 0.00 54.79 55.44 1pkl n ASP 145 Cb 0.28 -4.16 -0.01 0.00 -0.72 0.00 0.00 41.12 36.50 1pkl n ASP 145 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pkl n GLY 146 N -0.90 0.41 0.11 0.27 0.00 -1.25 -4.86 105.19 98.99 1pkl n GLY 146 Ca -0.20 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1pkl n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pkl h ILE 147 N 0.00 1.39 -3.32 -0.61 2.04 -1.10 -3.44 117.51 112.47 1pkl h ILE 147 Ca -0.07 -1.41 -0.57 0.00 1.00 0.00 0.00 64.86 63.81 1pkl h ILE 147 Cb 0.87 2.11 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 1pkl h ILE 147 CO 0.10 0.40 -0.04 -0.22 0.00 0.00 0.00 178.15 178.39 1pkl s LEU 148 N -9.00 4.33 -0.12 1.44 2.96 -0.66 -4.96 118.68 112.68 1pkl s LEU 148 Ca -0.15 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.82 1pkl s LEU 148 Cb 0.04 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 43.86 1pkl s LEU 148 CO 0.74 0.00 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.93 1pkl s ILE 149 N 0.41 1.89 -0.08 6.68 1.01 -1.26 -0.55 121.20 129.30 1pkl s ILE 149 Ca 0.31 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1pkl s ILE 149 Cb -0.17 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1pkl s ILE 149 CO 0.15 0.52 -0.21 -0.76 0.00 0.00 0.00 174.94 174.64 1pkl s LEU 150 N 0.70 1.97 -0.32 2.97 1.43 0.22 -2.07 118.68 123.58 1pkl s LEU 150 Ca -0.11 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1pkl s LEU 150 Cb -0.16 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 1pkl s LEU 150 CO 0.02 0.14 0.17 -1.58 0.23 0.00 0.00 176.35 175.33 1pkl s GLN 151 N 0.35 3.37 0.19 1.70 0.74 -0.71 0.01 119.66 125.31 1pkl s GLN 151 Ca -0.15 -0.71 -0.32 0.00 0.05 0.00 0.00 55.36 54.23 1pkl s GLN 151 Cb -0.17 -3.62 -0.11 0.00 1.10 0.00 0.00 33.01 30.21 1pkl s GLN 151 CO 0.07 -0.42 1.69 0.08 -0.55 0.00 0.00 175.29 176.15 1pkl s VAL 152 N 1.64 2.21 -0.06 1.34 1.01 -0.64 -2.19 120.40 123.71 1pkl s VAL 152 Ca 0.05 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.23 1pkl s VAL 152 Cb -0.17 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 1pkl s VAL 152 CO 0.07 0.01 0.05 0.00 0.00 0.00 0.00 175.10 175.23 1pkl n GLN 153 N 4.11 2.39 -3.62 2.72 1.13 0.16 -0.24 117.38 124.02 1pkl n GLN 153 Ca 0.16 -0.01 -0.04 0.00 -1.94 0.00 0.00 57.00 55.16 1pkl n GLN 153 Cb 0.36 -1.19 -0.01 0.00 0.11 0.00 0.00 30.24 29.50 1pkl n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1pkl s SER 154 N -3.77 -0.20 -0.45 1.08 1.04 -1.18 -4.81 113.70 105.42 1pkl s SER 154 Ca -0.04 -0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.07 1pkl s SER 154 Cb 0.03 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1pkl s SER 154 CO 0.31 -0.55 0.55 -1.00 0.98 0.00 0.00 173.24 173.53 1pkl s HIS 155 N -2.87 3.11 -0.00 5.02 3.76 -1.26 -0.86 115.29 122.19 1pkl s HIS 155 Ca 0.10 -0.31 -0.24 0.00 -0.15 0.00 0.00 55.06 54.46 1pkl s HIS 155 Cb 0.00 -3.20 -0.15 0.00 1.11 0.00 0.00 32.58 30.34 1pkl s HIS 155 CO -0.04 -0.83 1.10 0.93 -0.85 0.00 0.00 174.74 175.05 1pkl h GLU 156 N 8.84 -0.53 0.00 1.40 4.39 -1.45 -3.48 114.58 123.75 1pkl h GLU 156 Ca -0.26 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1pkl h GLU 156 Cb 1.10 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1pkl h GLU 156 CO 0.87 -0.21 0.00 -0.40 -1.16 0.00 0.00 179.01 178.10 1pkl n ASP 157 N -5.18 0.00 0.00 1.42 5.75 -1.16 -4.97 116.55 112.41 1pkl n ASP 157 Ca -0.10 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.95 1pkl n ASP 157 Cb 0.29 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.40 1pkl n ASP 157 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1pkl n GLU 158 N 0.00 0.01 0.00 0.11 0.28 -1.26 -3.22 120.64 116.56 1pkl n GLU 158 Ca 0.00 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1pkl n GLU 158 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1pkl n GLU 158 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1pkl n GLN 159 N -1.32 4.02 -4.35 3.44 6.02 -1.26 -4.91 117.38 119.02 1pkl n GLN 159 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.70 1pkl n GLN 159 Cb 0.01 -0.42 -0.11 0.00 1.02 0.00 0.00 30.24 30.74 1pkl n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1pkl s THR 160 N -0.20 3.10 -0.01 5.09 2.01 -1.20 -1.51 115.64 122.92 1pkl s THR 160 Ca 0.00 -1.31 0.06 0.00 0.31 0.00 0.00 61.69 60.75 1pkl s THR 160 Cb 0.00 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1pkl s THR 160 CO 0.00 0.17 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.15 1pkl s LEU 161 N -2.00 2.05 -0.24 4.42 1.43 0.58 -1.11 118.68 123.82 1pkl s LEU 161 Ca 0.19 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 1pkl s LEU 161 Cb -0.11 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 1pkl s LEU 161 CO 0.11 0.21 0.40 -0.70 0.23 0.00 0.00 176.35 176.60 1pkl s GLU 162 N -0.53 4.10 0.20 1.70 2.12 -0.04 -0.27 118.70 125.99 1pkl s GLU 162 Ca 0.07 0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.62 1pkl s GLU 162 Cb -0.07 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 1pkl s GLU 162 CO -0.00 -0.17 -0.13 0.00 -0.54 0.00 0.00 175.26 174.41 1pkl s THR 164 N -3.03 3.46 -0.55 0.00 2.01 -0.93 -1.45 115.64 115.15 1pkl s THR 164 Ca 0.22 -0.55 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 1pkl s THR 164 Cb 0.00 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 70.11 1pkl s THR 164 CO 0.06 0.55 1.05 -0.69 -0.69 0.00 0.00 174.62 174.91 1pkl s VAL 165 N -0.24 4.24 -0.57 3.82 1.01 -0.35 -1.73 120.40 126.58 1pkl s VAL 165 Ca 0.02 0.62 0.25 0.00 0.00 0.00 0.00 61.98 62.88 1pkl s VAL 165 Cb -0.13 -4.61 0.29 0.00 0.00 0.00 0.00 36.38 31.93 1pkl s VAL 165 CO 0.03 -1.17 1.75 0.71 0.00 0.00 0.00 175.10 176.42 1pkl h THR 166 N 6.09 0.00 -2.48 3.92 1.35 -1.73 1.11 112.91 121.17 1pkl h THR 166 Ca -0.25 -0.44 -0.09 0.00 -0.55 0.00 0.00 66.41 65.08 1pkl h THR 166 Cb 1.07 1.35 -0.21 0.00 -1.73 0.00 0.00 68.15 68.62 1pkl h THR 166 CO 1.12 0.00 -0.07 0.54 -0.25 0.00 0.00 175.52 176.86 1pkl s ASN 167 N -4.64 -0.49 0.13 5.36 4.22 -1.26 -4.71 114.94 113.55 1pkl s ASN 167 Ca 0.08 0.76 -0.31 0.00 -2.14 0.00 0.00 52.86 51.25 1pkl s ASN 167 Cb 0.10 0.78 -0.08 0.00 1.28 0.00 0.00 41.25 43.34 1pkl s ASN 167 CO 0.53 -0.35 1.28 -0.44 -2.04 0.00 0.00 177.10 176.08 1pkl s SER 168 N -0.44 6.97 -0.29 3.54 0.01 -1.26 -4.19 113.70 118.04 1pkl s SER 168 Ca -0.06 2.24 -0.21 0.00 1.31 0.00 0.00 55.95 59.23 1pkl s SER 168 Cb -0.03 -2.59 0.14 0.00 0.21 0.00 0.00 66.02 63.75 1pkl s SER 168 CO 0.04 -0.51 1.07 -2.28 0.41 0.00 0.00 173.24 171.97 1pkl s HIS 169 N 0.62 -0.44 -0.17 2.43 5.04 -0.79 -4.92 115.29 117.05 1pkl s HIS 169 Ca 0.59 0.98 -0.14 0.00 -1.54 0.00 0.00 55.06 54.94 1pkl s HIS 169 Cb -0.34 0.36 -0.04 0.00 0.04 0.00 0.00 32.58 32.59 1pkl s HIS 169 CO 0.33 -0.21 0.32 0.99 -2.34 0.00 0.00 174.74 173.83 1pkl s THR 170 N 0.64 5.28 -0.05 0.89 2.01 -1.26 -2.07 115.64 121.08 1pkl s THR 170 Ca -0.01 0.59 0.06 0.00 0.31 0.00 0.00 61.69 62.64 1pkl s THR 170 Cb -0.04 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1pkl s THR 170 CO -0.11 0.35 -0.22 0.27 -0.69 0.00 0.00 174.62 174.22 1pkl s ILE 171 N 0.69 2.35 0.00 1.82 -4.36 -1.06 -4.98 121.20 115.67 1pkl s ILE 171 Ca 0.17 -0.98 0.00 0.00 -0.26 0.00 0.00 60.65 59.59 1pkl s ILE 171 Cb -0.13 -1.87 0.00 0.00 1.25 0.00 0.00 42.46 41.71 1pkl s ILE 171 CO 0.05 0.58 0.00 -1.54 0.24 0.00 0.00 174.94 174.27 1pkl n SER 172 N 2.65 0.00 -4.69 4.36 3.41 -1.26 -1.90 113.62 116.18 1pkl n SER 172 Ca -0.17 -0.65 -0.37 0.00 -0.26 0.00 0.00 58.87 57.42 1pkl n SER 172 Cb 0.52 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.53 1pkl n SER 172 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pkl n ASP 173 N -1.95 1.66 -1.93 4.04 8.00 -1.25 -4.28 116.55 120.83 1pkl n ASP 173 Ca 0.00 0.83 -0.08 0.00 0.71 0.00 0.00 54.79 56.25 1pkl n ASP 173 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 41.12 39.61 1pkl n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pkl n ARG 174 N -1.54 -0.41 -4.40 -1.24 1.74 -1.10 -4.95 116.66 104.77 1pkl n ARG 174 Ca 0.15 0.27 -0.34 0.00 -0.77 0.00 0.00 57.85 57.16 1pkl n ARG 174 Cb 0.48 -0.46 -0.14 0.00 -1.02 0.00 0.00 32.46 31.32 1pkl n ARG 174 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pkl s ARG 175 N -1.18 3.44 0.39 5.56 0.52 -1.26 -4.78 118.95 121.64 1pkl s ARG 175 Ca 0.06 -0.63 -0.22 0.00 -0.52 0.00 0.00 55.73 54.42 1pkl s ARG 175 Cb -0.01 -2.82 -0.15 0.00 0.52 0.00 0.00 34.95 32.50 1pkl s ARG 175 CO 0.20 0.08 0.31 0.41 0.02 0.00 0.00 175.30 176.32 1pkl n GLY 176 N 3.96 -2.14 3.28 -3.53 0.00 -1.26 -3.53 105.19 101.97 1pkl n GLY 176 Ca -0.18 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1pkl n GLY 176 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pkl s VAL 177 N -1.52 1.75 -0.00 1.61 -7.23 -0.18 0.02 120.40 114.84 1pkl s VAL 177 Ca 0.61 -1.37 0.06 0.00 -1.81 0.00 0.00 61.98 59.47 1pkl s VAL 177 Cb -0.65 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1pkl s VAL 177 CO 0.60 0.11 -0.19 0.20 -0.31 0.00 0.00 175.10 175.51 1pkl s ASN 178 N -1.51 2.20 -0.71 4.85 0.01 0.20 -4.73 114.94 115.25 1pkl s ASN 178 Ca 0.08 -0.38 0.02 0.00 -0.71 0.00 0.00 52.86 51.87 1pkl s ASN 178 Cb -0.09 -0.23 0.17 0.00 0.41 0.00 0.00 41.25 41.51 1pkl s ASN 178 CO 0.03 0.21 0.52 -0.76 -1.51 0.00 0.00 177.10 175.59 1pkl s LEU 179 N -0.61 4.98 0.33 0.60 1.02 -1.26 -1.02 118.68 122.72 1pkl s LEU 179 Ca 0.07 -3.55 0.15 0.00 0.02 0.00 0.00 54.13 50.83 1pkl s LEU 179 Cb -0.07 -1.74 1.12 0.00 0.02 0.00 0.00 46.19 45.51 1pkl s LEU 179 CO -0.00 -0.17 1.44 -2.65 0.02 0.00 0.00 176.35 174.98 1pkl n PRO 180 N 2.46 -0.06 -0.53 1.29 -0.02 -1.26 -1.52 135.00 135.36 1pkl n PRO 180 Ca 0.16 1.28 0.07 0.00 -2.02 0.00 0.00 63.50 62.99 1pkl n PRO 180 Cb 0.35 -2.24 0.18 0.00 -0.02 0.00 0.00 33.50 31.77 1pkl n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkl n GLY 181 N -1.28 4.74 3.19 -1.23 0.00 -1.26 -4.89 105.19 104.45 1pkl n GLY 181 Ca 0.32 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1pkl n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl s ASP 183 N 0.31 6.95 -0.28 0.00 1.11 -1.26 -4.86 116.67 118.63 1pkl s ASP 183 Ca -0.15 1.12 -0.15 0.00 0.18 0.00 0.00 52.55 53.55 1pkl s ASP 183 Cb -0.17 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.27 1pkl s ASP 183 CO 0.07 -0.73 0.37 -0.69 1.18 0.00 0.00 175.17 175.37 1pkl s VAL 184 N 3.31 5.17 -0.31 -1.27 1.01 -1.26 -4.98 120.40 122.07 1pkl s VAL 184 Ca 0.42 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1pkl s VAL 184 Cb -0.14 -3.71 0.33 0.00 0.00 0.00 0.00 36.38 32.87 1pkl s VAL 184 CO 0.11 0.13 1.74 -0.90 0.00 0.00 0.00 175.10 176.18 1pkl n ASP 185 N 5.34 4.81 -4.71 3.32 5.75 -1.26 -4.98 116.55 124.83 1pkl n ASP 185 Ca -0.09 -3.05 -0.32 0.00 -0.01 0.00 0.00 54.79 51.33 1pkl n ASP 185 Cb 0.51 -0.84 0.13 0.00 -1.03 0.00 0.00 41.12 39.89 1pkl n ASP 185 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pkl s LEU 186 N -2.04 2.98 0.27 -2.12 1.43 -1.26 -4.96 118.68 112.99 1pkl s LEU 186 Ca 0.35 2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 55.27 1pkl s LEU 186 Cb 0.28 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.85 1pkl s LEU 186 CO 0.03 -2.66 1.31 -2.16 0.23 0.00 0.00 176.35 173.10 1pkl s PRO 187 N -4.58 4.38 0.35 1.29 0.04 -1.26 -4.93 135.00 130.29 1pkl s PRO 187 Ca 0.67 2.14 0.03 0.00 0.04 0.00 0.00 61.00 63.87 1pkl s PRO 187 Cb -0.22 -3.13 0.64 0.00 0.04 0.00 0.00 34.50 31.83 1pkl s PRO 187 CO 0.55 -0.20 1.99 0.00 0.04 0.00 0.00 177.00 179.37 1pkl h ALA 188 N 4.32 1.58 -3.24 8.56 0.00 -1.93 -3.40 119.26 125.14 1pkl h ALA 188 Ca -0.47 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 53.89 1pkl h ALA 188 Cb 1.22 -0.25 -0.36 0.00 0.00 0.00 0.00 17.79 18.40 1pkl h ALA 188 CO 0.71 0.36 -0.80 0.54 0.00 0.00 0.00 179.25 180.06 1pkl s VAL 189 N -5.75 1.00 0.88 0.00 0.11 -1.26 -4.71 120.40 110.68 1pkl s VAL 189 Ca -0.10 -0.30 -0.14 0.00 -2.93 0.00 0.00 61.98 58.51 1pkl s VAL 189 Cb 0.18 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 34.17 1pkl s VAL 189 CO 0.77 0.36 1.24 -0.94 -3.33 0.00 0.00 175.10 173.19 1pkl s SER 190 N 1.48 3.82 0.38 3.54 1.04 -1.26 -4.85 113.70 117.85 1pkl s SER 190 Ca 0.01 0.57 0.07 0.00 0.48 0.00 0.00 55.95 57.08 1pkl s SER 190 Cb -0.13 -0.88 0.76 0.00 0.10 0.00 0.00 66.02 65.87 1pkl s SER 190 CO -0.05 -2.32 1.94 0.00 0.98 0.00 0.00 173.24 173.79 1pkl h ALA 191 N -1.35 1.52 -0.09 5.32 0.00 -1.99 -1.34 119.26 121.34 1pkl h ALA 191 Ca -0.46 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 1pkl h ALA 191 Cb 1.29 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1pkl h ALA 191 CO 0.54 0.35 -0.53 -0.22 0.00 0.00 0.00 179.25 179.38 1pkl h LYS 192 N 0.38 0.52 -0.80 0.00 3.64 -1.98 -3.11 116.57 115.21 1pkl h LYS 192 Ca 0.09 -0.44 0.07 0.00 -1.27 0.00 0.00 60.65 59.10 1pkl h LYS 192 Cb 0.25 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 1pkl h LYS 192 CO 0.01 1.07 0.48 -0.44 -2.27 0.00 0.00 179.45 178.30 1pkl h ASP 193 N 0.11 0.73 -0.85 4.20 3.32 -1.86 -0.09 116.42 121.99 1pkl h ASP 193 Ca -0.04 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.12 1pkl h ASP 193 Cb 1.19 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 1pkl h ASP 193 CO 0.11 0.45 0.50 -0.09 -1.72 0.00 0.00 179.24 178.49 1pkl h ARG 194 N 0.86 0.83 -0.19 3.56 2.43 -1.25 0.22 114.38 120.84 1pkl h ARG 194 Ca 0.36 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 1pkl h ARG 194 Cb 0.23 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1pkl h ARG 194 CO -0.19 0.55 -0.30 0.28 -1.51 0.00 0.00 179.97 178.79 1pkl h VAL 195 N 0.85 1.34 -0.54 0.20 2.07 -1.19 -2.84 116.25 116.14 1pkl h VAL 195 Ca 0.40 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 1pkl h VAL 195 Cb 0.32 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1pkl h VAL 195 CO -0.23 0.47 0.00 0.44 0.02 0.00 0.00 177.57 178.27 1pkl h ASP 196 N 0.19 0.90 0.15 0.57 3.32 -0.38 -2.65 116.42 118.52 1pkl h ASP 196 Ca 0.01 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.73 1pkl h ASP 196 Cb 0.89 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1pkl h ASP 196 CO 0.07 0.95 -0.36 -0.07 -1.72 0.00 0.00 179.24 178.11 1pkl h LEU 197 N 0.85 0.30 -0.72 1.55 3.38 -0.61 -0.24 115.31 119.82 1pkl h LEU 197 Ca 0.16 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1pkl h LEU 197 Cb 0.50 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1pkl h LEU 197 CO 0.02 0.64 -0.46 1.56 0.09 0.00 0.00 178.44 180.29 1pkl h GLN 198 N 0.25 0.41 -0.32 1.13 1.08 -1.29 -1.67 115.11 114.70 1pkl h GLN 198 Ca 0.03 -0.22 -0.08 0.00 -1.45 0.00 0.00 58.65 56.92 1pkl h GLN 198 Cb 0.75 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 1pkl h GLN 198 CO 0.06 0.79 -0.13 0.35 -0.95 0.00 0.00 178.83 178.96 1pkl h PHE 199 N 0.33 0.74 -0.66 2.96 3.57 -1.18 -1.73 116.94 120.97 1pkl h PHE 199 Ca 0.02 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.37 1pkl h PHE 199 Cb 0.95 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1pkl h PHE 199 CO 0.03 0.85 0.42 0.78 -2.23 0.00 0.00 178.31 178.16 1pkl h GLY 200 N 0.42 0.95 0.99 2.40 0.00 -0.81 -0.27 103.07 106.75 1pkl h GLY 200 Ca 0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1pkl h GLY 200 CO 0.04 0.28 0.15 -2.08 0.00 0.00 0.00 176.54 174.93 1pkl h VAL 201 N 0.82 1.24 -0.45 4.60 2.07 -1.19 -1.04 116.25 122.31 1pkl h VAL 201 Ca 0.26 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1pkl h VAL 201 Cb -0.00 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1pkl h VAL 201 CO -0.10 0.30 0.11 -0.33 0.02 0.00 0.00 177.57 177.57 1pkl h GLU 202 N 0.74 0.67 -0.01 1.57 5.08 -0.69 -2.36 114.58 119.59 1pkl h GLU 202 Ca 0.17 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1pkl h GLU 202 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1pkl h GLU 202 CO -0.00 0.62 -0.18 1.04 -1.00 0.00 0.00 179.01 179.48 1pkl n GLN 203 N -4.30 0.79 -2.95 2.33 1.13 -0.17 -4.98 117.38 109.23 1pkl n GLN 203 Ca 0.03 -0.38 -0.11 0.00 -1.94 0.00 0.00 57.00 54.59 1pkl n GLN 203 Cb 0.21 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.11 1pkl n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pkl n GLY 204 N 1.31 0.09 3.76 1.08 0.00 -0.46 -5.02 105.19 105.94 1pkl n GLY 204 Ca 0.13 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1pkl n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pkl s VAL 205 N -3.18 3.09 0.02 1.61 -7.23 -0.81 -4.97 120.40 108.93 1pkl s VAL 205 Ca 0.18 0.47 0.10 0.00 -1.81 0.00 0.00 61.98 60.92 1pkl s VAL 205 Cb -0.08 -2.96 -0.22 0.00 0.56 0.00 0.00 36.38 33.67 1pkl s VAL 205 CO 0.39 -0.35 0.89 0.44 -0.31 0.00 0.00 175.10 176.16 1pkl h ASP 206 N -0.35 0.01 -5.07 4.85 3.32 -1.52 -3.46 116.42 114.20 1pkl h ASP 206 Ca -0.46 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 1pkl h ASP 206 Cb 1.25 -0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.67 1pkl h ASP 206 CO 0.52 1.02 -0.02 0.00 -1.72 0.00 0.00 179.24 179.04 1pkl s MET 207 N -2.64 1.17 -0.07 3.56 0.23 -1.12 -2.17 119.30 118.25 1pkl s MET 207 Ca -0.03 -0.73 0.04 0.00 -1.03 0.00 0.00 55.69 53.95 1pkl s MET 207 Cb 0.09 0.49 -0.01 0.00 -1.53 0.00 0.00 34.83 33.87 1pkl s MET 207 CO 0.82 -0.47 -0.21 0.42 -2.03 0.00 0.00 175.02 173.55 1pkl s ILE 208 N -3.82 2.36 -0.79 3.16 -1.09 0.30 -1.64 121.20 119.67 1pkl s ILE 208 Ca 0.04 -0.95 -0.11 0.00 -2.23 0.00 0.00 60.65 57.41 1pkl s ILE 208 Cb 0.01 -1.90 0.21 0.00 -1.58 0.00 0.00 42.46 39.20 1pkl s ILE 208 CO -0.10 0.56 0.70 -0.36 -1.23 0.00 0.00 174.94 174.52 1pkl s PHE 209 N -0.08 3.70 -0.25 3.97 0.08 -0.30 -0.41 117.98 124.69 1pkl s PHE 209 Ca -0.05 -2.23 -0.29 0.00 0.12 0.00 0.00 56.93 54.48 1pkl s PHE 209 Cb -0.14 -3.65 -0.02 0.00 -0.57 0.00 0.00 43.02 38.64 1pkl s PHE 209 CO 0.04 -0.94 1.55 0.00 -0.10 0.00 0.00 175.22 175.77 1pkl s ALA 210 N 0.01 3.27 0.35 5.36 0.00 -0.17 -1.63 121.76 128.95 1pkl s ALA 210 Ca 0.18 0.36 -0.26 0.00 0.00 0.00 0.00 51.96 52.25 1pkl s ALA 210 Cb -0.13 -3.84 -0.09 0.00 0.00 0.00 0.00 23.12 19.06 1pkl s ALA 210 CO -0.08 -1.95 1.09 -1.12 0.00 0.00 0.00 175.76 173.70 1pkl s SER 211 N 3.99 6.90 -1.38 0.00 0.01 -1.26 -0.73 113.70 121.23 1pkl s SER 211 Ca 0.68 2.18 -0.01 0.00 1.31 0.00 0.00 55.95 60.12 1pkl s SER 211 Cb -0.23 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.40 1pkl s SER 211 CO 0.28 -0.40 0.48 0.49 0.41 0.00 0.00 173.24 174.51 1pkl n PHE 212 N 0.43 -1.71 -2.53 2.43 3.72 -1.24 -4.75 117.46 113.81 1pkl n PHE 212 Ca 0.03 0.76 -0.42 0.00 -0.05 0.00 0.00 57.45 57.76 1pkl n PHE 212 Cb 0.47 -3.87 -0.03 0.00 -0.94 0.00 0.00 39.48 35.11 1pkl n PHE 212 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1pkl s ILE 213 N -3.89 4.29 -0.00 4.37 -1.09 -1.09 -4.92 121.20 118.87 1pkl s ILE 213 Ca 0.02 1.68 0.00 0.00 -2.23 0.00 0.00 60.65 60.12 1pkl s ILE 213 Cb -0.01 -4.08 -0.00 0.00 -1.58 0.00 0.00 42.46 36.79 1pkl s ILE 213 CO 0.87 0.15 0.00 0.54 -1.23 0.00 0.00 174.94 175.28 1pkl n ARG 214 N 3.70 3.09 -4.34 2.79 1.74 -1.26 -4.15 116.66 118.23 1pkl n ARG 214 Ca 0.07 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.95 1pkl n ARG 214 Cb 0.48 -1.00 -0.10 0.00 -1.02 0.00 0.00 32.46 30.81 1pkl n ARG 214 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pkl s SER 215 N -3.24 2.62 0.39 0.55 0.01 -1.26 -4.40 113.70 108.37 1pkl s SER 215 Ca -0.00 -0.95 0.15 0.00 1.31 0.00 0.00 55.95 56.46 1pkl s SER 215 Cb 0.00 -0.15 0.81 0.00 0.21 0.00 0.00 66.02 66.90 1pkl s SER 215 CO 0.00 -0.11 1.86 0.00 0.41 0.00 0.00 173.24 175.40 1pkl h ALA 216 N 2.85 1.37 -0.70 1.44 0.00 -1.88 -2.22 119.26 120.13 1pkl h ALA 216 Ca -0.40 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 1pkl h ALA 216 Cb 1.22 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1pkl h ALA 216 CO 0.57 0.42 0.25 0.93 0.00 0.00 0.00 179.25 181.42 1pkl h GLU 217 N 0.00 1.05 -0.40 0.00 3.07 -1.94 -2.65 114.58 113.70 1pkl h GLU 217 Ca -0.00 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.64 1pkl h GLU 217 Cb 0.62 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1pkl h GLU 217 CO 0.04 0.87 0.16 1.96 -1.40 0.00 0.00 179.01 180.64 1pkl h GLN 218 N 1.02 0.57 -0.78 2.33 4.20 -1.80 -1.61 115.11 119.04 1pkl h GLN 218 Ca 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1pkl h GLN 218 Cb 0.24 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1pkl h GLN 218 CO -0.01 0.47 0.36 0.28 -0.67 0.00 0.00 178.83 179.26 1pkl h VAL 219 N 0.57 1.25 -0.50 -0.54 2.07 -1.47 -1.96 116.25 115.65 1pkl h VAL 219 Ca 0.14 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1pkl h VAL 219 Cb 0.12 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1pkl h VAL 219 CO -0.01 0.30 0.30 1.23 0.02 0.00 0.00 177.57 179.41 1pkl h GLY 220 N 1.11 0.73 1.40 2.17 0.00 -1.27 -0.49 103.07 106.72 1pkl h GLY 220 Ca 0.27 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1pkl h GLY 220 CO -0.03 0.29 -0.14 -0.55 0.00 0.00 0.00 176.54 176.10 1pkl h ASP 221 N 0.69 0.70 -0.26 0.19 3.32 -0.98 -0.50 116.42 119.59 1pkl h ASP 221 Ca 0.18 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1pkl h ASP 221 Cb -0.02 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1pkl h ASP 221 CO -0.03 0.86 -0.34 0.58 -1.72 0.00 0.00 179.24 178.58 1pkl h VAL 222 N 0.64 1.31 -0.60 -1.35 2.07 -0.84 -0.96 116.25 116.52 1pkl h VAL 222 Ca 0.11 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.11 1pkl h VAL 222 Cb 0.60 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1pkl h VAL 222 CO 0.04 0.49 0.39 -0.09 0.02 0.00 0.00 177.57 178.41 1pkl h ARG 223 N 0.42 0.76 -0.43 1.57 2.43 -0.82 -1.63 114.38 116.68 1pkl h ARG 223 Ca 0.03 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1pkl h ARG 223 Cb 0.93 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1pkl h ARG 223 CO 0.08 0.50 0.27 -0.22 -1.51 0.00 0.00 179.97 179.09 1pkl h LYS 224 N 0.78 0.53 -0.38 0.20 3.64 -0.96 -1.95 116.57 118.44 1pkl h LYS 224 Ca 0.22 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1pkl h LYS 224 Cb -0.06 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1pkl h LYS 224 CO -0.06 0.35 0.26 0.00 -2.27 0.00 0.00 179.45 177.72 1pkl h ALA 225 N 1.17 2.01 0.00 5.00 0.00 -0.60 0.79 119.26 127.64 1pkl h ALA 225 Ca 0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1pkl h ALA 225 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pkl h ALA 225 CO -0.05 -0.09 -0.42 -0.07 0.00 0.00 0.00 179.25 178.62 1pkl h LEU 226 N 0.27 0.00 0.00 0.00 3.38 -0.55 -3.42 115.31 114.98 1pkl h LEU 226 Ca 0.17 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1pkl h LEU 226 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1pkl h LEU 226 CO -0.03 0.42 -0.11 0.61 0.09 0.00 0.00 178.44 179.42 1pkl n GLY 227 N 0.64 -1.86 0.19 0.83 0.00 0.27 -3.44 105.19 101.81 1pkl n GLY 227 Ca 0.01 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.75 1pkl n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pkl h PRO 228 N 0.00 0.00 0.00 1.61 0.13 -1.88 -2.89 132.00 128.97 1pkl h PRO 228 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1pkl h PRO 228 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 1pkl h PRO 228 CO 0.00 0.39 0.00 1.63 -0.23 0.00 0.00 178.00 179.79 1pkl n LYS 229 N -3.86 0.10 -0.82 0.86 5.02 -1.26 -3.28 118.16 114.92 1pkl n LYS 229 Ca -0.01 0.08 0.04 0.00 -2.02 0.00 0.00 58.31 56.39 1pkl n LYS 229 Cb 0.45 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.13 1pkl n LYS 229 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pkl n GLY 230 N 0.94 4.71 0.26 0.72 0.00 -1.09 -4.76 105.19 105.97 1pkl n GLY 230 Ca 0.07 -1.34 0.15 0.00 0.00 0.00 0.00 46.02 44.90 1pkl n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pkl h ARG 231 N 1.09 0.00 -0.01 1.61 0.11 -1.57 -3.05 114.38 112.56 1pkl h ARG 231 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1pkl h ARG 231 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1pkl h ARG 231 CO 0.06 0.07 -0.08 -0.25 0.10 0.00 0.00 179.97 179.87 1pkl n ASP 232 N -3.18 1.35 -4.73 0.08 8.00 -1.26 -4.87 116.55 111.92 1pkl n ASP 232 Ca 0.01 -1.30 -0.41 0.00 0.71 0.00 0.00 54.79 53.80 1pkl n ASP 232 Cb 0.36 0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.45 1pkl n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pkl s ILE 233 N -2.16 4.64 0.32 0.53 1.01 -1.15 -5.00 121.20 119.38 1pkl s ILE 233 Ca 0.33 1.87 -0.26 0.00 0.00 0.00 0.00 60.65 62.59 1pkl s ILE 233 Cb 0.20 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 1pkl s ILE 233 CO 0.39 0.32 0.95 -0.04 0.00 0.00 0.00 174.94 176.57 1pkl s MET 234 N 0.08 4.59 -0.36 2.79 -1.94 -0.92 -4.93 119.30 118.61 1pkl s MET 234 Ca 0.43 1.37 -0.04 0.00 -1.71 0.00 0.00 55.69 55.74 1pkl s MET 234 Cb -0.22 -2.84 0.07 0.00 2.01 0.00 0.00 34.83 33.85 1pkl s MET 234 CO 0.26 0.28 0.12 0.42 -0.01 0.00 0.00 175.02 176.09 1pkl s ILE 235 N -1.56 3.40 -0.38 2.53 1.01 -1.26 -0.54 121.20 124.40 1pkl s ILE 235 Ca 0.50 -1.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.42 1pkl s ILE 235 Cb -0.20 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1pkl s ILE 235 CO 0.25 -0.37 0.41 -0.63 0.00 0.00 0.00 174.94 174.61 1pkl s ILE 236 N 1.27 5.11 -0.17 2.92 -1.09 0.46 -1.08 121.20 128.62 1pkl s ILE 236 Ca 0.01 -0.08 -0.27 0.00 -2.23 0.00 0.00 60.65 58.08 1pkl s ILE 236 Cb -0.21 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.73 1pkl s ILE 236 CO -0.01 -0.25 0.93 0.00 -1.23 0.00 0.00 174.94 174.39 1pkl s LYS 238 N 2.40 3.85 -0.47 0.00 1.02 0.09 -1.01 119.74 125.63 1pkl s LYS 238 Ca 0.42 0.61 -0.22 0.00 0.02 0.00 0.00 55.97 56.81 1pkl s LYS 238 Cb -0.17 -3.80 0.03 0.00 -0.52 0.00 0.00 37.83 33.37 1pkl s LYS 238 CO 0.12 -0.96 0.72 0.42 -0.92 0.00 0.00 175.35 174.74 1pkl s ILE 239 N 3.51 4.72 0.00 2.17 -1.09 -0.53 -2.67 121.20 127.32 1pkl s ILE 239 Ca 0.39 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.94 1pkl s ILE 239 Cb -0.12 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1pkl s ILE 239 CO 0.19 -0.74 0.77 -0.62 -1.23 0.00 0.00 174.94 173.31 1pkl n GLU 240 N 6.55 1.24 -3.96 2.79 1.02 -1.26 -2.98 120.64 124.03 1pkl n GLU 240 Ca -0.01 -1.05 -0.11 0.00 -0.02 0.00 0.00 57.16 55.97 1pkl n GLU 240 Cb 0.47 -0.99 -0.02 0.00 -0.02 0.00 0.00 31.44 30.88 1pkl n GLU 240 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pkl s ASN 241 N -0.55 0.29 0.42 1.62 2.20 -1.26 -3.30 114.94 114.36 1pkl s ASN 241 Ca 0.00 -1.17 0.09 0.00 -0.94 0.00 0.00 52.86 50.84 1pkl s ASN 241 Cb 0.00 0.70 0.91 0.00 -2.00 0.00 0.00 41.25 40.86 1pkl s ASN 241 CO 0.00 -1.38 2.03 1.12 -2.94 0.00 0.00 177.10 175.93 1pkl h HIS 242 N 2.11 0.35 -0.31 1.54 2.07 -1.92 -2.72 115.15 116.27 1pkl h HIS 242 Ca -0.28 -0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.18 1pkl h HIS 242 Cb 1.25 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 31.10 1pkl h HIS 242 CO 1.08 0.28 -0.01 1.96 -3.07 0.00 0.00 177.93 178.17 1pkl h GLN 243 N 0.36 0.56 -0.98 5.12 4.20 -1.93 0.41 115.11 122.85 1pkl h GLN 243 Ca 0.09 -0.18 0.06 0.00 0.06 0.00 0.00 58.65 58.68 1pkl h GLN 243 Cb 0.08 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1pkl h GLN 243 CO -0.01 0.70 0.63 0.78 -0.67 0.00 0.00 178.83 180.26 1pkl h GLY 244 N 0.35 1.47 1.21 3.46 0.00 -1.65 0.70 103.07 108.62 1pkl h GLY 244 Ca 0.09 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.79 1pkl h GLY 244 CO 0.02 0.35 -0.43 -2.08 0.00 0.00 0.00 176.54 174.40 1pkl h VAL 245 N 1.16 1.28 -0.41 4.60 2.07 -1.27 -1.79 116.25 121.88 1pkl h VAL 245 Ca 0.41 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 1pkl h VAL 245 Cb 0.12 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1pkl h VAL 245 CO -0.16 0.53 0.05 1.56 0.02 0.00 0.00 177.57 179.56 1pkl h GLN 246 N 0.69 0.70 -0.66 1.57 4.20 -0.09 -3.01 115.11 118.51 1pkl h GLN 246 Ca 0.05 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1pkl h GLN 246 Cb 1.01 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1pkl h GLN 246 CO 0.10 0.76 0.00 0.09 -0.67 0.00 0.00 178.83 179.10 1pkl n ASN 247 N -4.48 4.43 -0.30 1.46 3.02 0.16 -4.66 115.26 114.89 1pkl n ASN 247 Ca -0.00 -2.60 0.11 0.00 -0.03 0.00 0.00 54.58 52.05 1pkl n ASN 247 Cb 0.26 -0.60 0.27 0.00 -0.61 0.00 0.00 39.78 39.10 1pkl n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1pkl h ILE 248 N 3.18 0.61 -0.33 2.41 6.09 -1.18 -2.03 117.51 126.26 1pkl h ILE 248 Ca 0.00 -0.18 0.02 0.00 -1.37 0.00 0.00 64.86 63.32 1pkl h ILE 248 Cb 1.50 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.80 1pkl h ILE 248 CO 0.32 0.10 0.19 0.44 -3.07 0.00 0.00 178.15 176.12 1pkl h ASP 249 N 0.53 0.30 0.47 2.19 3.32 -1.86 -0.36 116.42 121.00 1pkl h ASP 249 Ca 0.52 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.43 1pkl h ASP 249 Cb 0.87 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1pkl h ASP 249 CO -0.44 0.22 -0.64 0.77 -1.72 0.00 0.00 179.24 177.42 1pkl h SER 250 N 0.38 0.19 -0.27 6.45 4.64 -1.84 -2.47 113.55 120.63 1pkl h SER 250 Ca 0.13 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 1pkl h SER 250 Cb 0.01 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1pkl h SER 250 CO -0.07 0.78 -0.07 0.40 -0.87 0.00 0.00 176.83 177.01 1pkl h ILE 251 N 0.12 1.28 -0.81 0.95 2.04 -1.05 -2.76 117.51 117.29 1pkl h ILE 251 Ca -0.01 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1pkl h ILE 251 Cb 1.16 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 1pkl h ILE 251 CO 0.10 0.34 0.49 0.40 0.00 0.00 0.00 178.15 179.47 1pkl h ILE 252 N 0.28 1.23 -0.55 -0.67 2.04 -1.06 -1.05 117.51 117.72 1pkl h ILE 252 Ca 0.07 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1pkl h ILE 252 Cb 0.54 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1pkl h ILE 252 CO 0.03 0.24 0.23 -0.08 0.00 0.00 0.00 178.15 178.56 1pkl h GLU 253 N 1.12 0.42 0.05 2.37 4.57 -1.21 -3.18 114.58 118.71 1pkl h GLU 253 Ca 0.29 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 58.15 1pkl h GLU 253 Cb -0.04 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1pkl h GLU 253 CO -0.05 0.28 -1.59 0.93 -1.18 0.00 0.00 179.01 177.39 1pkl h GLU 254 N 0.43 0.11 -7.50 1.92 4.39 -1.28 -3.48 114.58 109.16 1pkl h GLU 254 Ca 0.26 -0.18 -0.45 0.00 0.34 0.00 0.00 59.36 59.33 1pkl h GLU 254 Cb 0.26 0.07 0.15 0.00 -0.10 0.00 0.00 28.75 29.12 1pkl h GLU 254 CO -0.24 0.84 0.28 -1.54 -1.16 0.00 0.00 179.01 177.19 1pkl s SER 255 N -6.56 2.99 0.00 1.42 1.04 -0.42 -4.99 113.70 107.19 1pkl s SER 255 Ca -0.07 0.85 0.18 0.00 0.48 0.00 0.00 55.95 57.39 1pkl s SER 255 Cb 0.08 -1.33 0.30 0.00 0.10 0.00 0.00 66.02 65.17 1pkl s SER 255 CO 0.82 -2.86 1.22 0.47 0.98 0.00 0.00 173.24 173.88 1pkl n ASP 256 N -3.95 2.95 0.00 7.02 8.00 -0.24 -4.93 116.55 125.40 1pkl n ASP 256 Ca 0.08 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1pkl n ASP 256 Cb 0.59 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1pkl n ASP 256 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pkl n GLY 257 N 1.08 -0.10 3.10 0.44 0.00 -1.22 -4.15 105.19 104.34 1pkl n GLY 257 Ca 0.14 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1pkl n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkl s ILE 258 N -2.00 0.65 -0.10 -0.61 -1.09 -0.62 -1.38 121.20 116.04 1pkl s ILE 258 Ca 0.00 -1.29 0.01 0.00 -2.23 0.00 0.00 60.65 57.14 1pkl s ILE 258 Cb 0.00 -0.89 0.02 0.00 -1.58 0.00 0.00 42.46 40.01 1pkl s ILE 258 CO 0.00 -0.47 -0.12 -0.32 -1.23 0.00 0.00 174.94 172.81 1pkl s MET 259 N -2.08 1.83 -0.63 2.79 -2.45 -0.18 -1.27 119.30 117.32 1pkl s MET 259 Ca -0.04 -0.41 -0.22 0.00 -1.25 0.00 0.00 55.69 53.77 1pkl s MET 259 Cb -0.07 -1.65 0.08 0.00 1.25 0.00 0.00 34.83 34.43 1pkl s MET 259 CO -0.00 -0.12 0.89 0.08 1.05 0.00 0.00 175.02 176.92 1pkl s VAL 260 N 1.16 4.46 -1.10 10.11 1.01 0.21 -1.45 120.40 134.80 1pkl s VAL 260 Ca -0.04 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1pkl s VAL 260 Cb -0.14 -4.62 0.12 0.00 0.00 0.00 0.00 36.38 31.73 1pkl s VAL 260 CO -0.03 -1.34 1.39 0.00 0.00 0.00 0.00 175.10 175.11 1pkl s ALA 261 N 3.70 3.44 0.19 5.51 0.00 -1.16 -1.37 121.76 132.08 1pkl s ALA 261 Ca 0.20 -2.89 -0.12 0.00 0.00 0.00 0.00 51.96 49.15 1pkl s ALA 261 Cb -0.18 -4.27 0.22 0.00 0.00 0.00 0.00 23.12 18.89 1pkl s ALA 261 CO 0.10 -3.09 1.72 0.00 0.00 0.00 0.00 175.76 174.49 1pkl h ARG 262 N 8.26 0.25 -0.73 0.00 -0.00 -1.86 -0.87 114.38 119.44 1pkl h ARG 262 Ca 0.27 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.98 59.69 1pkl h ARG 262 Cb 0.95 -0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.83 1pkl h ARG 262 CO 1.27 0.16 0.28 0.78 0.00 0.00 0.00 179.97 182.46 1pkl h GLY 263 N 0.26 1.17 1.12 0.04 0.00 -1.90 0.86 103.07 104.61 1pkl h GLY 263 Ca 0.27 -0.64 -0.21 0.00 0.00 0.00 0.00 47.33 46.76 1pkl h GLY 263 CO -0.34 0.60 -0.70 -0.55 0.00 0.00 0.00 176.54 175.55 1pkl h ASP 264 N 1.06 0.90 0.06 0.19 3.32 -1.80 -2.85 116.42 117.30 1pkl h ASP 264 Ca 0.24 -0.62 -0.05 0.00 0.02 0.00 0.00 57.03 56.63 1pkl h ASP 264 Cb 0.22 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1pkl h ASP 264 CO -0.02 1.37 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.65 1pkl h LEU 265 N 0.49 0.18 -0.95 1.55 3.38 -0.94 -2.69 115.31 116.33 1pkl h LEU 265 Ca -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pkl h LEU 265 Cb 1.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1pkl h LEU 265 CO 0.15 0.34 0.00 1.23 0.09 0.00 0.00 178.44 180.25 1pkl h GLY 266 N 0.72 0.00 0.83 0.83 0.00 -0.59 -1.28 103.07 103.58 1pkl h GLY 266 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1pkl h GLY 266 CO 0.02 0.00 0.01 -2.08 0.00 0.00 0.00 176.54 174.49 1pkl h VAL 267 N 0.00 1.25 -0.31 4.60 2.07 -1.39 -3.31 116.25 119.16 1pkl h VAL 267 Ca 0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1pkl h VAL 267 Cb 0.43 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1pkl h VAL 267 CO 0.00 0.26 0.00 -1.84 0.02 0.00 0.00 177.57 176.01 1pkl n GLU 268 N -4.68 2.31 -3.81 1.57 0.28 -1.15 -4.89 120.64 110.27 1pkl n GLU 268 Ca -0.04 -1.92 -0.14 0.00 -0.16 0.00 0.00 57.16 54.89 1pkl n GLU 268 Cb 0.23 -1.30 -0.16 0.00 1.43 0.00 0.00 31.44 31.64 1pkl n GLU 268 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1pkl s ILE 269 N -1.03 -0.02 0.35 3.84 1.01 -0.49 -4.88 121.20 119.97 1pkl s ILE 269 Ca 0.24 0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 1pkl s ILE 269 Cb 0.13 -0.08 -0.12 0.00 0.01 0.00 0.00 42.46 42.40 1pkl s ILE 269 CO 0.18 0.07 1.08 -2.65 0.00 0.00 0.00 174.94 173.62 1pkl n PRO 270 N 3.92 1.55 -0.21 2.79 -0.02 -1.26 -4.23 135.00 137.53 1pkl n PRO 270 Ca -0.24 0.55 0.02 0.00 -2.02 0.00 0.00 63.50 61.80 1pkl n PRO 270 Cb 0.52 -2.03 0.12 0.00 -0.02 0.00 0.00 33.50 32.10 1pkl n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pkl h ALA 271 N 1.98 0.71 0.00 3.55 0.00 -1.95 -1.09 119.26 122.45 1pkl h ALA 271 Ca -0.43 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1pkl h ALA 271 Cb 1.32 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1pkl h ALA 271 CO 0.60 -0.36 -0.09 1.05 0.00 0.00 0.00 179.25 180.45 1pkl h GLU 272 N 0.18 0.00 0.00 0.00 9.09 -2.01 -1.29 114.58 120.55 1pkl h GLU 272 Ca 0.34 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.62 1pkl h GLU 272 Cb 0.56 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.64 1pkl h GLU 272 CO -0.50 0.09 -0.66 0.87 0.05 0.00 0.00 179.01 178.85 1pkl h LYS 273 N 0.00 0.00 -0.18 1.06 1.57 -1.58 -3.11 116.57 114.33 1pkl h LYS 273 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1pkl h LYS 273 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1pkl h LYS 273 CO 0.01 0.59 -0.52 0.28 -0.57 0.00 0.00 179.45 179.24 1pkl h VAL 274 N 0.00 1.32 -0.20 0.50 2.07 -0.51 -1.06 116.25 118.38 1pkl h VAL 274 Ca -0.02 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1pkl h VAL 274 Cb 1.48 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1pkl h VAL 274 CO 0.08 0.54 0.12 0.58 0.02 0.00 0.00 177.57 178.91 1pkl h VAL 275 N 0.39 1.09 -0.29 2.57 2.07 -1.40 0.15 116.25 120.83 1pkl h VAL 275 Ca 0.01 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 1pkl h VAL 275 Cb 1.04 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1pkl h VAL 275 CO 0.10 0.08 -0.27 0.58 0.02 0.00 0.00 177.57 178.07 1pkl h VAL 276 N 0.23 1.28 -0.79 2.57 2.07 -1.47 -2.67 116.25 117.46 1pkl h VAL 276 Ca 0.07 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1pkl h VAL 276 Cb 0.03 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1pkl h VAL 276 CO -0.01 0.44 0.40 0.00 0.02 0.00 0.00 177.57 178.41 1pkl h ALA 277 N 1.19 1.02 -0.81 1.67 0.00 -0.76 -2.20 119.26 119.37 1pkl h ALA 277 Ca 0.07 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1pkl h ALA 277 Cb 0.74 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1pkl h ALA 277 CO 0.06 0.56 0.51 0.37 0.00 0.00 0.00 179.25 180.75 1pkl h GLN 278 N 1.11 0.92 -0.41 0.00 4.15 -0.65 -0.59 115.11 119.65 1pkl h GLN 278 Ca 0.27 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 1pkl h GLN 278 Cb 0.09 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1pkl h GLN 278 CO -0.04 0.61 0.17 0.87 -1.93 0.00 0.00 178.83 178.51 1pkl h LYS 279 N 0.95 0.61 0.15 1.69 1.57 -1.16 -2.13 116.57 118.25 1pkl h LYS 279 Ca 0.34 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1pkl h LYS 279 Cb 0.10 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1pkl h LYS 279 CO -0.15 0.56 -0.07 0.82 -0.57 0.00 0.00 179.45 180.04 1pkl h ILE 280 N 0.52 0.94 -0.56 1.86 2.04 -0.96 -1.72 117.51 119.62 1pkl h ILE 280 Ca 0.14 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1pkl h ILE 280 Cb 0.18 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1pkl h ILE 280 CO -0.01 0.09 0.14 -0.07 0.00 0.00 0.00 178.15 178.30 1pkl h LEU 281 N -0.38 0.80 -0.20 1.44 3.38 -1.14 -1.17 115.31 118.04 1pkl h LEU 281 Ca -0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1pkl h LEU 281 Cb 0.30 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1pkl h LEU 281 CO 0.03 0.78 -0.11 0.40 0.09 0.00 0.00 178.44 179.63 1pkl h ILE 282 N 0.83 1.31 -0.62 1.22 2.04 -1.37 -1.98 117.51 118.96 1pkl h ILE 282 Ca 0.18 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 1pkl h ILE 282 Cb 0.29 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1pkl h ILE 282 CO -0.00 0.36 0.17 0.28 0.00 0.00 0.00 178.15 178.96 1pkl h SER 283 N 0.12 0.89 -0.69 1.72 0.02 -1.13 -0.16 113.55 114.31 1pkl h SER 283 Ca 0.04 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 1pkl h SER 283 Cb 0.61 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1pkl h SER 283 CO 0.03 0.85 0.19 0.11 -1.14 0.00 0.00 176.83 176.87 1pkl h LYS 284 N 0.91 1.09 -0.27 3.45 1.57 -1.17 -1.54 116.57 120.62 1pkl h LYS 284 Ca 0.20 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1pkl h LYS 284 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1pkl h LYS 284 CO -0.00 0.96 -0.40 0.00 -0.57 0.00 0.00 179.45 179.43 1pkl h ASN 286 N 0.53 0.15 -0.48 0.00 -0.26 -0.68 0.27 115.58 115.12 1pkl h ASN 286 Ca 0.05 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.73 1pkl h ASN 286 Cb 0.92 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.13 1pkl h ASN 286 CO 0.08 0.11 0.10 0.58 -1.06 0.00 0.00 177.43 177.25 1pkl h VAL 287 N 0.20 1.23 0.00 2.81 2.07 -1.20 -2.63 116.25 118.73 1pkl h VAL 287 Ca 0.07 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 1pkl h VAL 287 Cb -0.00 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1pkl h VAL 287 CO -0.03 0.32 -0.32 0.00 0.02 0.00 0.00 177.57 177.56 1pkl h ALA 288 N 1.31 1.07 0.00 1.67 0.00 -0.74 -3.47 119.26 119.10 1pkl h ALA 288 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pkl h ALA 288 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pkl h ALA 288 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1pkl n GLY 289 N 0.04 0.68 3.27 0.00 0.00 0.03 -5.07 105.19 104.14 1pkl n GLY 289 Ca -0.01 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1pkl n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkl s LYS 290 N -3.20 1.96 0.38 1.61 1.02 -0.96 -4.77 119.74 115.79 1pkl s LYS 290 Ca 0.00 -0.85 -0.27 0.00 0.02 0.00 0.00 55.97 54.88 1pkl s LYS 290 Cb 0.00 -1.87 -0.11 0.00 -0.52 0.00 0.00 37.83 35.33 1pkl s LYS 290 CO 0.00 0.50 1.26 -0.35 -0.92 0.00 0.00 175.35 175.84 1pkl n PRO 291 N 2.54 1.98 -4.50 -1.68 -0.04 -1.26 -4.47 135.00 127.57 1pkl n PRO 291 Ca -0.16 0.70 -0.23 0.00 -0.04 0.00 0.00 63.50 63.78 1pkl n PRO 291 Cb 0.52 -2.34 -0.16 0.00 -0.04 0.00 0.00 33.50 31.48 1pkl n PRO 291 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pkl s VAL 292 N -1.16 0.97 -0.15 0.52 0.11 -1.26 -1.59 120.40 117.85 1pkl s VAL 292 Ca 0.59 -0.42 -0.02 0.00 -2.93 0.00 0.00 61.98 59.19 1pkl s VAL 292 Cb -0.54 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 1pkl s VAL 292 CO 0.60 0.31 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.97 1pkl s ILE 293 N 0.42 3.50 -0.29 7.04 1.01 -0.40 -1.15 121.20 131.33 1pkl s ILE 293 Ca -0.08 -0.50 -0.22 0.00 0.00 0.00 0.00 60.65 59.85 1pkl s ILE 293 Cb -0.12 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1pkl s ILE 293 CO 0.02 0.51 0.71 0.00 0.00 0.00 0.00 174.94 176.17 1pkl n ALA 295 N 5.99 1.64 -2.66 0.00 0.00 -0.47 -1.88 120.51 123.13 1pkl n ALA 295 Ca 0.01 -0.72 -0.22 0.00 0.00 0.00 0.00 53.44 52.51 1pkl n ALA 295 Cb 0.48 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 1pkl n ALA 295 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1pkl s THR 296 N -2.34 3.79 -1.18 0.00 -4.23 -1.26 -4.56 115.64 105.87 1pkl s THR 296 Ca -0.23 -1.54 -0.31 0.00 -1.18 0.00 0.00 61.69 58.44 1pkl s THR 296 Cb 0.06 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1pkl s THR 296 CO 0.39 -0.28 0.71 0.00 -0.54 0.00 0.00 174.62 174.90 1pkl n GLN 297 N -1.17 -0.52 -4.02 3.99 6.02 -1.26 -4.73 117.38 115.68 1pkl n GLN 297 Ca -0.05 0.19 -0.35 0.00 -0.01 0.00 0.00 57.00 56.78 1pkl n GLN 297 Cb 0.59 -2.93 -0.11 0.00 1.02 0.00 0.00 30.24 28.80 1pkl n GLN 297 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1pkl s MET 298 N -6.99 3.77 -1.47 -1.09 -1.94 -1.26 -4.48 119.30 105.84 1pkl s MET 298 Ca 0.48 -0.44 -0.14 0.00 -1.71 0.00 0.00 55.69 53.88 1pkl s MET 298 Cb -0.24 -3.17 0.11 0.00 2.01 0.00 0.00 34.83 33.54 1pkl s MET 298 CO 0.94 0.09 0.66 1.28 -0.01 0.00 0.00 175.02 177.98 1pkl n LEU 299 N 4.07 -1.68 -0.24 -0.03 4.77 -1.26 -4.84 117.00 117.79 1pkl n LEU 299 Ca -0.17 -0.68 0.04 0.00 -0.03 0.00 0.00 56.01 55.18 1pkl n LEU 299 Cb 0.52 -2.13 0.16 0.00 -2.33 0.00 0.00 43.42 39.64 1pkl n LEU 299 CO 0.33 0.24 0.92 -0.08 -1.33 0.00 0.00 177.39 177.47 1pkl h GLU 300 N -1.29 0.25 0.00 3.23 4.81 -1.97 -1.51 114.58 118.10 1pkl h GLU 300 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1pkl h GLU 300 Cb 1.33 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1pkl h GLU 300 CO 0.64 0.17 0.00 -1.13 -0.73 0.00 0.00 179.01 177.96 1pkl n SER 301 N -5.16 0.07 -0.18 1.04 3.41 -1.26 -1.58 113.62 109.95 1pkl n SER 301 Ca 0.13 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 1pkl n SER 301 Cb 0.42 -0.54 0.69 0.00 -0.26 0.00 0.00 64.21 64.52 1pkl n SER 301 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1pkl n MET 302 N -1.59 1.25 0.26 4.33 2.81 -0.57 -1.52 117.12 122.09 1pkl n MET 302 Ca 0.00 -0.36 0.15 0.00 -1.81 0.00 0.00 57.70 55.68 1pkl n MET 302 Cb 0.03 -1.43 0.64 0.00 -0.71 0.00 0.00 33.22 31.75 1pkl n MET 302 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1pkl h THR 303 N 0.83 0.25 0.00 2.03 2.02 -1.48 -3.36 112.91 113.19 1pkl h THR 303 Ca 0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1pkl h THR 303 Cb 0.18 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1pkl h THR 303 CO 0.00 0.09 -0.20 0.00 0.37 0.00 0.00 175.52 175.78 1pkl n TYR 304 N -3.25 0.00 -3.85 3.16 4.11 -1.21 -0.81 117.16 115.31 1pkl n TYR 304 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.55 1pkl n TYR 304 Cb 0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.61 1pkl n TYR 304 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 1pkl s ASN 305 N -0.98 6.42 0.28 9.48 0.02 -0.58 -4.94 114.94 124.64 1pkl s ASN 305 Ca 0.00 0.45 0.25 0.00 -1.02 0.00 0.00 52.86 52.54 1pkl s ASN 305 Cb 0.00 -2.05 1.01 0.00 0.02 0.00 0.00 41.25 40.23 1pkl s ASN 305 CO 0.00 0.31 1.74 1.55 0.02 0.00 0.00 177.10 180.73 1pkl h PRO 306 N 4.29 0.00 -4.82 -0.60 0.13 -1.86 -3.37 132.00 125.77 1pkl h PRO 306 Ca -0.51 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.23 1pkl h PRO 306 Cb 1.21 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 1pkl h PRO 306 CO 0.64 0.00 -0.78 1.03 -0.23 0.00 0.00 178.00 178.67 1pkl s ARG 307 N -3.34 0.73 0.83 0.86 0.52 -1.26 -4.99 118.95 112.31 1pkl s ARG 307 Ca 0.04 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.67 1pkl s ARG 307 Cb 0.09 -0.69 0.12 0.00 0.52 0.00 0.00 34.95 35.00 1pkl s ARG 307 CO 0.42 0.18 1.17 -1.25 0.02 0.00 0.00 175.30 175.84 1pkl s PRO 308 N -0.59 1.51 0.61 3.54 0.04 -1.26 -4.66 135.00 134.19 1pkl s PRO 308 Ca 0.01 -0.28 -0.04 0.00 0.04 0.00 0.00 61.00 60.73 1pkl s PRO 308 Cb -0.05 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1pkl s PRO 308 CO 0.00 -1.79 0.89 0.95 0.04 0.00 0.00 177.00 177.09 1pkl s THR 309 N -3.57 3.06 0.12 1.26 -4.23 -1.26 -4.96 115.64 106.06 1pkl s THR 309 Ca 0.66 -0.25 -0.25 0.00 -1.18 0.00 0.00 61.69 60.66 1pkl s THR 309 Cb -0.08 -3.23 -0.06 0.00 1.34 0.00 0.00 72.50 70.48 1pkl s THR 309 CO 0.49 -0.22 1.64 -0.09 -0.54 0.00 0.00 174.62 175.91 1pkl h ARG 310 N -0.21 -0.36 -1.01 3.99 9.65 -2.00 -2.56 114.38 121.88 1pkl h ARG 310 Ca -0.45 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.49 1pkl h ARG 310 Cb 1.28 0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 29.89 1pkl h ARG 310 CO 0.59 -0.24 0.66 0.00 2.80 0.00 0.00 179.97 183.78 1pkl h ALA 311 N 0.47 1.32 -0.41 2.80 0.00 -2.00 -1.82 119.26 119.62 1pkl h ALA 311 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1pkl h ALA 311 Cb 0.45 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1pkl h ALA 311 CO -0.20 0.58 0.06 0.93 0.00 0.00 0.00 179.25 180.62 1pkl h GLU 312 N 1.29 0.63 -0.10 0.00 5.08 -1.90 -1.22 114.58 118.36 1pkl h GLU 312 Ca 0.39 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1pkl h GLU 312 Cb -0.04 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1pkl h GLU 312 CO -0.12 0.61 0.02 0.28 -1.00 0.00 0.00 179.01 178.81 1pkl h VAL 313 N 0.61 1.20 -0.16 3.13 2.07 -0.93 -2.46 116.25 119.71 1pkl h VAL 313 Ca 0.13 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1pkl h VAL 313 Cb 0.30 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1pkl h VAL 313 CO 0.00 0.18 -0.17 0.77 0.02 0.00 0.00 177.57 178.37 1pkl h SER 314 N -0.04 0.25 -0.58 0.57 4.64 -1.18 -2.02 113.55 115.19 1pkl h SER 314 Ca 0.03 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1pkl h SER 314 Cb 0.26 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1pkl h SER 314 CO 0.00 0.45 0.16 -0.78 -0.87 0.00 0.00 176.83 175.79 1pkl h ASP 315 N 0.25 0.87 -0.43 4.97 3.58 -1.05 0.19 116.42 124.79 1pkl h ASP 315 Ca 0.05 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.20 1pkl h ASP 315 Cb 0.45 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1pkl h ASP 315 CO 0.03 0.86 -0.04 0.58 -2.88 0.00 0.00 179.24 177.79 1pkl h VAL 316 N 0.83 1.27 -0.43 2.25 2.07 -1.07 -2.24 116.25 118.92 1pkl h VAL 316 Ca 0.18 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1pkl h VAL 316 Cb 0.32 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1pkl h VAL 316 CO -0.00 0.37 0.14 0.00 0.02 0.00 0.00 177.57 178.11 1pkl h ALA 317 N 0.89 0.56 0.00 1.67 0.00 -0.98 -3.00 119.26 118.40 1pkl h ALA 317 Ca 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pkl h ALA 317 Cb 0.54 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pkl h ALA 317 CO 0.03 0.20 -0.01 -0.91 0.00 0.00 0.00 179.25 178.56 1pkl h ASN 318 N 0.55 0.00 -0.28 0.00 2.35 -0.49 -1.13 115.58 116.59 1pkl h ASN 318 Ca 0.14 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 1pkl h ASN 318 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1pkl h ASN 318 CO -0.01 0.01 -0.34 0.00 -1.65 0.00 0.00 177.43 175.45 1pkl h ALA 319 N 1.99 0.73 -0.26 -0.83 0.00 -1.26 0.83 119.26 120.45 1pkl h ALA 319 Ca -0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1pkl h ALA 319 Cb 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pkl h ALA 319 CO 0.00 0.66 -0.31 0.28 0.00 0.00 0.00 179.25 179.89 1pkl h VAL 320 N 0.67 1.31 -0.33 0.00 2.07 -1.31 -1.62 116.25 117.04 1pkl h VAL 320 Ca 0.07 -1.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 1pkl h VAL 320 Cb 0.89 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1pkl h VAL 320 CO 0.08 0.47 0.04 -0.26 0.02 0.00 0.00 177.57 177.92 1pkl h PHE 321 N 0.38 0.50 -0.21 1.57 0.04 -1.08 -1.79 116.94 116.35 1pkl h PHE 321 Ca 0.03 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1pkl h PHE 321 Cb 0.88 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 1pkl h PHE 321 CO 0.08 0.48 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.23 1pkl h ASN 322 N 0.48 0.33 0.00 2.17 -0.26 -0.66 -3.46 115.58 114.17 1pkl h ASN 322 Ca 0.11 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1pkl h ASN 322 Cb 0.26 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1pkl h ASN 322 CO 0.00 0.48 0.00 0.61 -1.06 0.00 0.00 177.43 177.46 1pkl n GLY 323 N -0.79 1.48 3.74 2.83 0.00 -0.67 -4.62 105.19 107.17 1pkl n GLY 323 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1pkl n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl n ALA 324 N 0.00 2.09 -0.02 4.61 0.00 -0.63 -4.93 120.51 121.63 1pkl n ALA 324 Ca 0.00 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.64 1pkl n ALA 324 Cb 0.00 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 16.95 1pkl n ALA 324 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pkl h ASP 325 N 3.55 0.31 -3.29 0.00 5.19 -1.45 -3.45 116.42 117.29 1pkl h ASP 325 Ca -0.48 -0.78 -0.46 0.00 -0.62 0.00 0.00 57.03 54.70 1pkl h ASP 325 Cb 1.25 -0.09 -0.15 0.00 0.18 0.00 0.00 39.33 40.52 1pkl h ASP 325 CO 0.69 1.04 -0.74 0.00 -3.12 0.00 0.00 179.24 177.12 1pkl s VAL 327 N -2.83 1.43 0.17 0.00 -7.23 -0.25 -1.60 120.40 110.08 1pkl s VAL 327 Ca 0.21 -0.89 0.11 0.00 -1.81 0.00 0.00 61.98 59.60 1pkl s VAL 327 Cb -0.02 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 1pkl s VAL 327 CO 0.07 0.30 -0.25 -0.32 -0.31 0.00 0.00 175.10 174.59 1pkl s MET 328 N -0.69 1.47 -0.08 4.82 1.75 -0.79 -1.63 119.30 124.16 1pkl s MET 328 Ca 0.06 -1.46 0.04 0.00 -1.25 0.00 0.00 55.69 53.08 1pkl s MET 328 Cb -0.07 -1.86 0.00 0.00 2.84 0.00 0.00 34.83 35.74 1pkl s MET 328 CO 0.00 0.42 -0.20 -0.51 -0.65 0.00 0.00 175.02 174.08 1pkl s LEU 329 N -2.44 1.93 0.00 4.11 1.43 -0.03 -4.54 118.68 119.14 1pkl s LEU 329 Ca 0.18 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1pkl s LEU 329 Cb -0.09 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1pkl s LEU 329 CO 0.08 0.13 0.00 -1.20 0.23 0.00 0.00 176.35 175.59 1pkl n SER 330 N 3.49 0.00 0.27 2.29 7.64 -1.26 -1.19 113.62 124.86 1pkl n SER 330 Ca -0.20 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.83 1pkl n SER 330 Cb 0.52 0.00 0.75 0.00 -1.01 0.00 0.00 64.21 64.47 1pkl n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1pkl h GLY 331 N 0.00 0.00 1.38 0.23 0.00 -1.96 -1.14 103.07 101.59 1pkl h GLY 331 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1pkl h GLY 331 CO 0.00 0.00 0.41 0.83 0.00 0.00 0.00 176.54 177.78 1pkl h GLU 332 N 0.00 0.78 0.00 4.80 3.07 -1.89 -0.28 114.58 121.07 1pkl h GLU 332 Ca -0.00 -0.05 -0.32 0.00 -0.50 0.00 0.00 59.36 58.49 1pkl h GLU 332 Cb 0.39 -0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 28.06 1pkl h GLU 332 CO 0.01 0.52 -2.20 0.25 -1.40 0.00 0.00 179.01 176.19 1pkl n THR 333 N -4.45 1.19 -0.04 1.13 -2.24 -1.05 -3.41 114.28 105.41 1pkl n THR 333 Ca 0.06 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 60.97 1pkl n THR 333 Cb 0.06 -0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 67.69 1pkl n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pkl h ALA 334 N 0.88 0.15 0.00 6.98 0.00 -0.82 -3.36 119.26 123.09 1pkl h ALA 334 Ca -0.47 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1pkl h ALA 334 Cb 2.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1pkl h ALA 334 CO 0.03 -0.02 -0.07 0.36 0.00 0.00 0.00 179.25 179.55 1pkl n LYS 335 N -4.66 0.89 -1.25 0.00 2.85 -0.79 -1.98 118.16 113.21 1pkl n LYS 335 Ca -0.07 -0.98 -0.29 0.00 -1.05 0.00 0.00 58.31 55.91 1pkl n LYS 335 Cb 0.32 -0.70 0.14 0.00 -0.65 0.00 0.00 35.03 34.14 1pkl n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1pkl s GLY 336 N -0.61 1.60 0.07 2.58 0.00 -0.18 -4.89 107.32 105.89 1pkl s GLY 336 Ca 0.02 -0.19 0.23 0.00 0.00 0.00 0.00 44.72 44.78 1pkl s GLY 336 CO 0.00 0.33 0.91 1.17 0.00 0.00 0.00 173.10 175.51 1pkl n LYS 337 N -3.91 0.45 -3.13 2.90 4.81 0.01 -4.53 118.16 114.76 1pkl n LYS 337 Ca 0.06 -0.01 -0.22 0.00 -0.87 0.00 0.00 58.31 57.27 1pkl n LYS 337 Cb 0.56 -1.64 -0.04 0.00 0.02 0.00 0.00 35.03 33.93 1pkl n LYS 337 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1pkl n TYR 338 N -2.20 1.42 -0.09 5.64 4.01 -1.26 -4.99 117.16 119.69 1pkl n TYR 338 Ca 0.00 -3.86 -0.08 0.00 -0.16 0.00 0.00 57.90 53.80 1pkl n TYR 338 Cb 0.49 -0.44 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1pkl n TYR 338 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1pkl h PRO 339 N 3.18 -0.24 -0.44 -0.72 0.11 -1.80 -1.94 132.00 130.17 1pkl h PRO 339 Ca 0.11 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.09 1pkl h PRO 339 Cb 0.81 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1pkl h PRO 339 CO 0.61 -0.16 -0.29 -0.91 -0.21 0.00 0.00 178.00 177.04 1pkl h ASN 340 N -0.24 1.00 -0.18 -2.05 2.35 -1.92 -3.08 115.58 111.45 1pkl h ASN 340 Ca 0.16 -0.41 -0.07 0.00 -0.55 0.00 0.00 56.30 55.42 1pkl h ASN 340 Cb 0.50 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1pkl h ASN 340 CO -0.47 1.21 -0.12 -0.33 -1.65 0.00 0.00 177.43 176.08 1pkl h GLU 341 N 0.81 0.55 -0.15 0.81 3.07 -1.90 -0.61 114.58 117.16 1pkl h GLU 341 Ca 0.09 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 1pkl h GLU 341 Cb 0.87 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1pkl h GLU 341 CO 0.08 0.66 -0.12 0.28 -1.40 0.00 0.00 179.01 178.51 1pkl h VAL 342 N 0.51 1.33 -0.44 3.13 2.07 -1.37 -1.03 116.25 120.44 1pkl h VAL 342 Ca 0.09 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1pkl h VAL 342 Cb 0.50 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1pkl h VAL 342 CO 0.03 0.36 0.21 0.58 0.02 0.00 0.00 177.57 178.78 1pkl h VAL 343 N -0.00 1.18 -0.64 2.57 2.07 -1.44 0.14 116.25 120.13 1pkl h VAL 343 Ca 0.03 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1pkl h VAL 343 Cb 0.62 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1pkl h VAL 343 CO 0.03 0.20 0.40 1.56 0.02 0.00 0.00 177.57 179.78 1pkl h GLN 344 N 0.57 0.86 -0.48 1.57 4.20 -1.08 -1.11 115.11 119.64 1pkl h GLN 344 Ca 0.15 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 1pkl h GLN 344 Cb 0.11 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1pkl h GLN 344 CO -0.02 0.59 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.70 1pkl h TYR 345 N 0.87 1.04 -0.58 2.96 5.03 -0.88 -1.95 116.97 123.45 1pkl h TYR 345 Ca 0.23 -0.22 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1pkl h TYR 345 Cb -0.06 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 37.94 1pkl h TYR 345 CO -0.02 1.01 0.35 1.98 -1.32 0.00 0.00 178.16 180.15 1pkl h MET 346 N 0.77 0.79 -0.79 1.82 4.05 -0.39 -1.51 114.93 119.67 1pkl h MET 346 Ca 0.12 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 1pkl h MET 346 Cb 0.67 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.27 1pkl h MET 346 CO 0.05 0.58 0.34 0.00 0.23 0.00 0.00 176.91 178.10 1pkl h ALA 347 N 1.17 1.10 -0.72 0.39 0.00 -1.08 -1.66 119.26 118.45 1pkl h ALA 347 Ca 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1pkl h ALA 347 Cb -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1pkl h ALA 347 CO -0.04 0.65 0.25 -0.09 0.00 0.00 0.00 179.25 180.03 1pkl h ARG 348 N 1.14 1.10 -0.42 0.00 2.43 -0.90 -0.61 114.38 117.12 1pkl h ARG 348 Ca 0.27 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 1pkl h ARG 348 Cb 0.18 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1pkl h ARG 348 CO -0.03 0.92 -0.31 0.82 -1.51 0.00 0.00 179.97 179.87 1pkl h ILE 349 N 1.06 1.27 -0.35 1.20 2.04 -0.93 -2.45 117.51 119.36 1pkl h ILE 349 Ca 0.24 -1.47 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 1pkl h ILE 349 Cb 0.26 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1pkl h ILE 349 CO -0.01 0.50 -0.18 0.00 0.00 0.00 0.00 178.15 178.46 1pkl h LEU 351 N 0.57 0.64 -0.44 0.00 6.46 -1.06 -1.66 115.31 119.82 1pkl h LEU 351 Ca 0.09 -0.38 -0.12 0.00 -0.12 0.00 0.00 57.88 57.35 1pkl h LEU 351 Cb 0.63 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1pkl h LEU 351 CO 0.04 0.88 -0.19 -0.08 -0.62 0.00 0.00 178.44 178.47 1pkl h GLU 352 N 0.39 0.91 -0.69 1.25 4.57 -1.32 -2.80 114.58 116.90 1pkl h GLU 352 Ca 0.08 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.85 1pkl h GLU 352 Cb 0.61 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 1pkl h GLU 352 CO 0.04 1.04 0.36 0.00 -1.18 0.00 0.00 179.01 179.26 1pkl h ALA 353 N 0.84 0.88 -0.56 2.92 0.00 -0.89 -2.99 119.26 119.47 1pkl h ALA 353 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1pkl h ALA 353 Cb 0.76 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1pkl h ALA 353 CO 0.06 0.42 0.34 0.37 0.00 0.00 0.00 179.25 180.43 1pkl h GLN 354 N 0.95 0.65 -0.60 0.00 4.15 -1.20 -2.07 115.11 116.99 1pkl h GLN 354 Ca 0.24 -0.04 0.17 0.00 0.77 0.00 0.00 58.65 59.79 1pkl h GLN 354 Cb 0.07 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1pkl h GLN 354 CO -0.03 0.43 0.43 0.66 -1.93 0.00 0.00 178.83 178.38 1pkl h SER 355 N 0.66 0.01 0.40 -0.69 4.64 -1.34 -0.82 113.55 116.41 1pkl h SER 355 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1pkl h SER 355 Cb 0.03 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1pkl h SER 355 CO -0.10 0.00 -1.09 0.00 -0.87 0.00 0.00 176.83 174.77 1pkl n ALA 356 N -2.65 3.39 -2.20 5.18 0.00 -0.89 -4.94 120.51 118.40 1pkl n ALA 356 Ca 0.11 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1pkl n ALA 356 Cb 0.67 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1pkl n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pkl s LEU 357 N -3.98 4.36 -0.81 0.00 0.20 -0.32 -4.93 118.68 113.20 1pkl s LEU 357 Ca 0.03 2.27 -0.18 0.00 0.69 0.00 0.00 54.13 56.94 1pkl s LEU 357 Cb 0.14 -3.58 0.15 0.00 -0.43 0.00 0.00 46.19 42.47 1pkl s LEU 357 CO 0.81 -0.65 0.92 0.21 -0.29 0.00 0.00 176.35 177.36 1pkl s ASN 358 N 1.22 6.54 0.39 3.68 2.47 -1.26 -4.89 114.94 123.09 1pkl s ASN 358 Ca 0.64 -2.03 0.28 0.00 0.42 0.00 0.00 52.86 52.17 1pkl s ASN 358 Cb -0.35 -2.33 1.19 0.00 -1.45 0.00 0.00 41.25 38.31 1pkl s ASN 358 CO 0.30 -0.96 1.84 -0.33 -3.72 0.00 0.00 177.10 174.23 1pkl h GLU 359 N 8.66 0.00 -0.06 0.43 5.08 -1.93 -2.76 114.58 124.00 1pkl h GLU 359 Ca 0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1pkl h GLU 359 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1pkl h GLU 359 CO 1.01 0.00 -0.33 -0.92 -1.00 0.00 0.00 179.01 177.78 1pkl h TYR 360 N 0.00 0.12 -0.26 4.33 3.20 -1.90 -1.80 116.97 120.65 1pkl h TYR 360 Ca 0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1pkl h TYR 360 Cb 0.40 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1pkl h TYR 360 CO 0.00 0.42 0.12 0.28 -1.64 0.00 0.00 178.16 177.34 1pkl h VAL 361 N 0.09 1.15 0.23 1.81 2.07 -1.88 0.21 116.25 119.93 1pkl h VAL 361 Ca 0.01 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1pkl h VAL 361 Cb 0.63 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1pkl h VAL 361 CO 0.05 0.15 -0.14 -0.26 0.02 0.00 0.00 177.57 177.39 1pkl h PHE 362 N 0.29 -0.37 -0.14 1.57 -1.00 -1.59 0.13 116.94 115.82 1pkl h PHE 362 Ca 0.09 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.91 1pkl h PHE 362 Cb 0.13 0.13 -0.05 0.00 3.61 0.00 0.00 35.95 39.77 1pkl h PHE 362 CO -0.02 -0.22 -0.20 0.35 -1.61 0.00 0.00 178.31 176.61 1pkl h PHE 363 N -0.36 -0.53 -0.60 -0.55 3.57 -1.14 -1.21 116.94 116.12 1pkl h PHE 363 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1pkl h PHE 363 Cb 0.30 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1pkl h PHE 363 CO -0.09 -0.28 0.37 -0.97 -2.23 0.00 0.00 178.31 175.11 1pkl h ASN 364 N -0.25 0.71 -0.08 0.41 -0.00 -0.40 -1.22 115.58 114.75 1pkl h ASN 364 Ca 0.10 -0.04 -0.01 0.00 -0.00 0.00 0.00 56.30 56.35 1pkl h ASN 364 Cb 0.40 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.54 1pkl h ASN 364 CO -0.29 0.54 0.02 0.28 -0.00 0.00 0.00 177.43 177.98 1pkl h SER 365 N 0.81 0.13 -0.72 1.15 0.02 -0.41 -2.77 113.55 111.75 1pkl h SER 365 Ca 0.22 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1pkl h SER 365 Cb -0.05 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1pkl h SER 365 CO -0.04 0.32 0.48 0.40 -1.14 0.00 0.00 176.83 176.85 1pkl h ILE 366 N -0.07 1.16 -0.66 3.27 2.04 -1.17 -2.52 117.51 119.56 1pkl h ILE 366 Ca 0.03 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1pkl h ILE 366 Cb 0.25 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1pkl h ILE 366 CO 0.00 0.17 0.23 0.11 0.00 0.00 0.00 178.15 178.66 1pkl h LYS 367 N 0.95 0.99 0.00 2.37 1.57 -1.06 -2.84 116.57 118.55 1pkl h LYS 367 Ca 0.27 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1pkl h LYS 367 Cb -0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1pkl h LYS 367 CO -0.06 0.84 -0.33 0.87 -0.57 0.00 0.00 179.45 180.19 1pkl h LYS 368 N 0.96 0.00 0.00 3.15 1.57 -1.17 -3.05 116.57 118.03 1pkl h LYS 368 Ca 0.22 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1pkl h LYS 368 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1pkl h LYS 368 CO -0.01 0.33 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.84 1pkl h LEU 369 N 0.00 0.00 -9.69 2.94 3.38 -1.30 -3.46 115.31 107.18 1pkl h LEU 369 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1pkl h LEU 369 Cb 0.86 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.67 1pkl h LEU 369 CO 0.04 0.28 0.88 -1.10 0.09 0.00 0.00 178.44 178.63 1pkl s GLN 370 N -3.12 4.19 -0.08 1.13 -1.52 -1.13 -4.97 119.66 114.16 1pkl s GLN 370 Ca 0.05 2.44 -0.24 0.00 -1.95 0.00 0.00 55.36 55.66 1pkl s GLN 370 Cb 0.07 -3.10 -0.03 0.00 -0.22 0.00 0.00 33.01 29.72 1pkl s GLN 370 CO 0.70 -0.60 0.73 -1.58 -0.25 0.00 0.00 175.29 174.29 1pkl s HIS 371 N 0.66 3.55 -0.16 0.91 5.65 -1.26 -5.03 115.29 119.61 1pkl s HIS 371 Ca 0.67 1.26 -0.07 0.00 0.25 0.00 0.00 55.06 57.17 1pkl s HIS 371 Cb -0.45 -2.85 -0.04 0.00 -1.18 0.00 0.00 32.58 28.06 1pkl s HIS 371 CO 0.37 0.03 0.08 0.42 -0.65 0.00 0.00 174.74 174.99 1pkl s ILE 372 N 1.04 5.00 0.28 0.89 1.01 -1.26 -2.52 121.20 125.64 1pkl s ILE 372 Ca 0.38 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 1pkl s ILE 372 Cb -0.18 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.97 1pkl s ILE 372 CO 0.17 0.51 1.35 -2.16 0.00 0.00 0.00 174.94 174.82 1pkl s PRO 373 N -0.10 4.33 0.30 2.79 0.04 -1.26 -5.18 135.00 135.92 1pkl s PRO 373 Ca 0.08 2.22 0.06 0.00 0.04 0.00 0.00 61.00 63.40 1pkl s PRO 373 Cb -0.12 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1pkl s PRO 373 CO 0.01 -0.28 0.38 0.00 0.04 0.00 0.00 177.00 177.15 1pkl s MET 374 N -1.06 3.10 0.80 4.56 0.23 -1.05 -5.09 119.30 120.79 1pkl s MET 374 Ca 0.54 -1.01 -0.11 0.00 -1.03 0.00 0.00 55.69 54.07 1pkl s MET 374 Cb -0.40 -2.74 0.07 0.00 -1.53 0.00 0.00 34.83 30.23 1pkl s MET 374 CO 0.47 0.19 1.09 -1.54 -2.03 0.00 0.00 175.02 173.20 1pkl s SER 375 N -4.06 4.27 0.15 -1.18 1.04 -1.26 -4.82 113.70 107.85 1pkl s SER 375 Ca 0.40 1.71 -0.20 0.00 0.48 0.00 0.00 55.95 58.34 1pkl s SER 375 Cb -0.08 -2.41 0.05 0.00 0.10 0.00 0.00 66.02 63.67 1pkl s SER 375 CO 0.29 -2.17 1.65 0.00 0.98 0.00 0.00 173.24 173.99 1pkl h ALA 376 N -1.22 0.02 -0.47 5.32 0.00 -1.99 -1.34 119.26 119.58 1pkl h ALA 376 Ca -0.45 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1pkl h ALA 376 Cb 1.24 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1pkl h ALA 376 CO 0.53 -0.58 0.23 -0.44 0.00 0.00 0.00 179.25 178.98 1pkl h ASP 377 N -0.16 0.33 -0.24 0.00 3.32 -1.98 0.42 116.42 118.12 1pkl h ASP 377 Ca 0.15 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1pkl h ASP 377 Cb 0.39 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1pkl h ASP 377 CO -0.38 0.23 0.12 -0.08 -1.72 0.00 0.00 179.24 177.41 1pkl h GLU 378 N 0.46 0.24 -0.50 3.56 4.57 -1.84 -1.40 114.58 119.67 1pkl h GLU 378 Ca 0.20 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 1pkl h GLU 378 Cb 0.12 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1pkl h GLU 378 CO -0.15 0.16 0.00 0.00 -1.18 0.00 0.00 179.01 177.85 1pkl h ALA 379 N 1.12 1.06 -0.38 2.92 0.00 -0.78 -2.78 119.26 120.41 1pkl h ALA 379 Ca 0.10 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1pkl h ALA 379 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pkl h ALA 379 CO -0.07 0.59 -0.25 0.28 0.00 0.00 0.00 179.25 179.81 1pkl h VAL 380 N 0.78 1.28 -0.10 0.00 2.07 -0.69 -2.30 116.25 117.30 1pkl h VAL 380 Ca 0.15 -1.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.16 1pkl h VAL 380 Cb 0.47 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1pkl h VAL 380 CO 0.02 0.46 -0.46 0.00 0.02 0.00 0.00 177.57 177.62 1pkl h SER 382 N 0.19 0.78 -0.57 0.00 4.64 -1.50 -2.62 113.55 114.47 1pkl h SER 382 Ca 0.01 -0.77 -0.07 0.00 -0.47 0.00 0.00 61.79 60.50 1pkl h SER 382 Cb 0.89 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1pkl h SER 382 CO 0.07 1.45 0.12 0.28 -0.87 0.00 0.00 176.83 177.88 1pkl h SER 383 N 0.20 0.92 -0.52 4.97 0.02 -1.38 0.33 113.55 118.09 1pkl h SER 383 Ca -0.12 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1pkl h SER 383 Cb 1.62 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 1pkl h SER 383 CO 0.18 0.91 0.26 0.00 -1.14 0.00 0.00 176.83 177.04 1pkl h ALA 384 N 1.20 0.67 0.00 3.77 0.00 -1.17 0.12 119.26 123.84 1pkl h ALA 384 Ca 0.19 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1pkl h ALA 384 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1pkl h ALA 384 CO 0.01 0.21 -0.55 0.28 0.00 0.00 0.00 179.25 179.20 1pkl h VAL 385 N 0.69 1.17 -0.35 0.00 2.07 -1.23 -2.48 116.25 116.13 1pkl h VAL 385 Ca 0.18 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 65.61 1pkl h VAL 385 Cb 0.09 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1pkl h VAL 385 CO -0.02 0.54 0.02 -1.13 0.02 0.00 0.00 177.57 176.99 1pkl h ASN 386 N 0.00 0.59 -0.56 0.57 -0.00 0.31 -2.50 115.58 113.98 1pkl h ASN 386 Ca -0.01 -0.30 -0.00 0.00 -0.00 0.00 0.00 56.30 56.00 1pkl h ASN 386 Cb 1.13 -0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 39.26 1pkl h ASN 386 CO 0.07 0.74 0.34 0.28 -0.00 0.00 0.00 177.43 178.86 1pkl h SER 387 N 0.42 0.67 -0.28 1.15 0.02 -0.62 0.02 113.55 114.93 1pkl h SER 387 Ca 0.10 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1pkl h SER 387 Cb 0.43 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1pkl h SER 387 CO 0.01 0.52 0.17 0.58 -1.14 0.00 0.00 176.83 176.97 1pkl h VAL 388 N 0.78 1.04 -0.54 2.27 2.07 -1.09 0.17 116.25 120.95 1pkl h VAL 388 Ca 0.21 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 1pkl h VAL 388 Cb -0.03 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1pkl h VAL 388 CO -0.04 0.06 -0.03 1.88 0.02 0.00 0.00 177.57 179.46 1pkl h TYR 389 N 0.34 1.03 0.21 1.57 0.05 -0.87 0.16 116.97 119.46 1pkl h TYR 389 Ca 0.11 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1pkl h TYR 389 Cb -0.01 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.46 1pkl h TYR 389 CO -0.07 0.94 -0.10 0.93 -1.05 0.00 0.00 178.16 178.81 1pkl h GLU 390 N 0.87 -0.27 -0.01 4.88 5.08 -0.65 -3.16 114.58 121.32 1pkl h GLU 390 Ca 0.15 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1pkl h GLU 390 Cb 0.55 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1pkl h GLU 390 CO 0.03 -0.01 -0.16 0.25 -1.00 0.00 0.00 179.01 178.11 1pkl n THR 391 N -5.11 0.00 -3.81 1.13 -2.24 0.01 -4.94 114.28 99.33 1pkl n THR 391 Ca -0.09 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 1pkl n THR 391 Cb 0.21 0.21 0.04 0.00 -2.10 0.00 0.00 70.33 68.69 1pkl n THR 391 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pkl n LYS 392 N -0.66 -6.21 -1.53 -0.78 5.02 0.51 -4.93 118.16 109.59 1pkl n LYS 392 Ca 0.14 0.67 -0.36 0.00 -2.02 0.00 0.00 58.31 56.74 1pkl n LYS 392 Cb 0.32 -5.59 0.08 0.00 -0.02 0.00 0.00 35.03 29.82 1pkl n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkl n ALA 393 N -4.74 0.53 -0.31 7.82 0.00 -0.87 -4.91 120.51 118.03 1pkl n ALA 393 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1pkl n ALA 393 Cb 0.55 -2.24 0.26 0.00 0.00 0.00 0.00 19.45 18.01 1pkl n ALA 393 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pkl n LYS 394 N -2.04 2.83 -3.61 0.00 5.02 -0.88 -4.82 118.16 114.67 1pkl n LYS 394 Ca 0.15 -2.43 -0.04 0.00 -2.02 0.00 0.00 58.31 53.97 1pkl n LYS 394 Cb 0.49 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1pkl n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkl s ALA 395 N -1.05 -2.09 0.01 7.82 0.00 -1.26 -4.42 121.76 120.78 1pkl s ALA 395 Ca 0.39 1.68 0.04 0.00 0.00 0.00 0.00 51.96 54.07 1pkl s ALA 395 Cb 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1pkl s ALA 395 CO 0.26 -0.51 -0.14 -1.64 0.00 0.00 0.00 175.76 173.72 1pkl s MET 396 N -2.07 1.02 -0.20 0.00 -1.94 -0.83 -1.98 119.30 113.32 1pkl s MET 396 Ca 0.09 -0.59 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 1pkl s MET 396 Cb -0.01 -1.01 0.03 0.00 2.01 0.00 0.00 34.83 35.85 1pkl s MET 396 CO -0.04 0.27 -0.16 0.08 -0.01 0.00 0.00 175.02 175.15 1pkl s VAL 397 N -0.53 1.98 -0.21 -6.03 1.01 0.35 -0.32 120.40 116.64 1pkl s VAL 397 Ca 0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1pkl s VAL 397 Cb -0.06 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1pkl s VAL 397 CO 0.00 0.36 -0.08 -0.69 0.00 0.00 0.00 175.10 174.70 1pkl s VAL 398 N 1.28 3.12 -0.47 2.92 1.01 0.41 -0.76 120.40 127.92 1pkl s VAL 398 Ca 0.01 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 1pkl s VAL 398 Cb -0.15 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1pkl s VAL 398 CO -0.10 0.45 0.70 -0.76 0.00 0.00 0.00 175.10 175.39 1pkl s LEU 399 N 1.40 4.49 -0.05 3.92 1.43 -1.10 -0.87 118.68 127.89 1pkl s LEU 399 Ca 0.05 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1pkl s LEU 399 Cb -0.14 -2.73 0.03 0.00 0.03 0.00 0.00 46.19 43.37 1pkl s LEU 399 CO -0.05 -0.88 0.04 -0.55 0.23 0.00 0.00 176.35 175.14 1pkl s SER 400 N 2.26 1.29 0.01 2.29 0.15 -1.02 -4.61 113.70 114.07 1pkl s SER 400 Ca 0.24 0.02 -0.18 0.00 0.70 0.00 0.00 55.95 56.73 1pkl s SER 400 Cb -0.14 -0.25 -0.29 0.00 -1.71 0.00 0.00 66.02 63.63 1pkl s SER 400 CO 0.18 -0.23 1.03 0.78 1.20 0.00 0.00 173.24 176.21 1pkl h ASN 401 N 8.38 0.69 0.23 5.45 -0.26 -1.94 -3.35 115.58 124.78 1pkl h ASN 401 Ca -0.15 -0.86 0.00 0.00 -0.56 0.00 0.00 56.30 54.73 1pkl h ASN 401 Cb 1.12 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.16 1pkl h ASN 401 CO 0.19 1.49 -1.06 0.35 -1.06 0.00 0.00 177.43 177.34 1pkl n THR 402 N -3.97 0.06 -0.31 2.81 -2.24 -1.26 -4.44 114.28 104.94 1pkl n THR 402 Ca -0.13 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1pkl n THR 402 Cb 0.89 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1pkl n THR 402 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkl n GLY 403 N 1.42 0.81 0.06 3.38 0.00 -1.26 -4.89 105.19 104.71 1pkl n GLY 403 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1pkl n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pkl h ARG 404 N 3.99 -0.03 -0.48 1.61 2.43 -1.93 -1.75 114.38 118.22 1pkl h ARG 404 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1pkl h ARG 404 Cb 0.00 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1pkl h ARG 404 CO 0.00 -0.02 0.14 0.77 -1.51 0.00 0.00 179.97 179.35 1pkl h SER 405 N -0.03 0.71 -0.87 -3.80 0.02 -1.92 -1.53 113.55 106.13 1pkl h SER 405 Ca 0.01 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1pkl h SER 405 Cb 0.04 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 1pkl h SER 405 CO -0.02 0.74 0.55 0.00 -1.14 0.00 0.00 176.83 176.97 1pkl h ALA 406 N 1.00 1.15 -0.18 3.77 0.00 -1.90 0.16 119.26 123.25 1pkl h ALA 406 Ca 0.15 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1pkl h ALA 406 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pkl h ALA 406 CO -0.00 0.38 -0.45 -0.09 0.00 0.00 0.00 179.25 179.09 1pkl h ARG 407 N 1.06 0.45 -0.13 0.00 2.43 -1.07 -1.41 114.38 115.72 1pkl h ARG 407 Ca 0.35 -0.24 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 1pkl h ARG 407 Cb 0.04 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1pkl h ARG 407 CO -0.13 0.82 -0.65 1.25 -1.51 0.00 0.00 179.97 179.75 1pkl h LEU 408 N 0.37 0.79 -0.24 3.80 5.85 -0.60 -2.62 115.31 122.65 1pkl h LEU 408 Ca 0.02 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 1pkl h LEU 408 Cb 0.94 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1pkl h LEU 408 CO 0.08 1.30 0.08 0.58 -0.34 0.00 0.00 178.44 180.15 1pkl h VAL 409 N 0.34 1.18 -0.23 1.05 2.07 -0.66 -2.54 116.25 117.47 1pkl h VAL 409 Ca -0.05 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1pkl h VAL 409 Cb 1.29 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1pkl h VAL 409 CO 0.13 0.19 0.18 0.00 0.02 0.00 0.00 177.57 178.09 1pkl h ALA 410 N 0.92 2.09 -0.62 1.67 0.00 -1.28 -1.37 119.26 120.67 1pkl h ALA 410 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pkl h ALA 410 Cb 0.21 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1pkl h ALA 410 CO -0.00 -0.30 0.35 -0.22 0.00 0.00 0.00 179.25 179.08 1pkl h LYS 411 N 0.00 0.85 0.00 0.00 3.64 -1.05 -2.01 116.57 118.00 1pkl h LYS 411 Ca 0.11 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1pkl h LYS 411 Cb 0.47 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1pkl h LYS 411 CO -0.00 0.61 0.00 0.66 -2.27 0.00 0.00 179.45 178.45 1pkl n TYR 412 N -4.39 0.00 -3.22 1.91 4.01 -0.52 -4.85 117.16 110.10 1pkl n TYR 412 Ca 0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.73 1pkl n TYR 412 Cb 0.09 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 1pkl n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1pkl n ARG 413 N -1.36 -1.45 -2.42 -0.72 5.12 -0.76 -3.64 116.66 111.44 1pkl n ARG 413 Ca 0.09 1.37 -0.34 0.00 -1.93 0.00 0.00 57.85 57.04 1pkl n ARG 413 Cb 0.21 -4.90 -0.02 0.00 -1.16 0.00 0.00 32.46 26.59 1pkl n ARG 413 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1pkl s PRO 414 N -3.41 3.66 -0.28 5.56 0.02 -1.26 -4.59 135.00 134.70 1pkl s PRO 414 Ca 0.02 1.36 -0.01 0.00 0.02 0.00 0.00 61.00 62.39 1pkl s PRO 414 Cb -0.00 -2.07 0.20 0.00 0.02 0.00 0.00 34.50 32.64 1pkl s PRO 414 CO 0.79 -0.54 1.98 0.27 -0.33 0.00 0.00 177.00 179.17 1pkl n ASN 415 N -1.20 6.21 -3.64 2.53 6.94 -1.26 -4.82 115.26 120.01 1pkl n ASN 415 Ca 0.09 -2.98 -0.12 0.00 -0.02 0.00 0.00 54.58 51.55 1pkl n ASN 415 Cb 0.52 -1.04 -0.06 0.00 -2.36 0.00 0.00 39.78 36.84 1pkl n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pkl n PRO 417 N 0.31 1.39 -4.54 0.00 -0.02 -1.26 -4.80 135.00 126.08 1pkl n PRO 417 Ca -0.18 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 1pkl n PRO 417 Cb 0.61 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.62 1pkl n PRO 417 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pkl s ILE 418 N -1.35 3.32 -0.24 4.25 1.01 -0.84 -1.96 121.20 125.38 1pkl s ILE 418 Ca 0.71 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 1pkl s ILE 418 Cb -0.45 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1pkl s ILE 418 CO 0.51 0.50 -0.05 -0.69 0.00 0.00 0.00 174.94 175.21 1pkl s VAL 419 N 0.53 3.06 -0.19 2.92 1.01 0.57 -1.44 120.40 126.85 1pkl s VAL 419 Ca -0.06 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1pkl s VAL 419 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1pkl s VAL 419 CO 0.03 0.25 0.11 0.00 0.00 0.00 0.00 175.10 175.50 1pkl s VAL 421 N 0.29 3.63 0.22 0.00 1.01 -0.05 0.17 120.40 125.66 1pkl s VAL 421 Ca 0.07 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.41 1pkl s VAL 421 Cb -0.11 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1pkl s VAL 421 CO -0.01 0.15 -0.21 -0.89 0.00 0.00 0.00 175.10 174.15 1pkl s THR 422 N 1.45 2.21 -2.70 3.92 2.01 -0.78 -2.43 115.64 119.33 1pkl s THR 422 Ca 0.02 -2.14 0.24 0.00 0.31 0.00 0.00 61.69 60.12 1pkl s THR 422 Cb -0.17 -2.11 0.21 0.00 0.01 0.00 0.00 72.50 70.45 1pkl s THR 422 CO 0.00 -0.30 1.32 0.35 -0.69 0.00 0.00 174.62 175.30 1pkl n THR 423 N -0.07 0.00 -4.67 -0.82 -2.24 -1.26 -0.23 114.28 104.99 1pkl n THR 423 Ca -0.10 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 60.95 1pkl n THR 423 Cb 0.58 1.26 -0.15 0.00 -2.10 0.00 0.00 70.33 69.92 1pkl n THR 423 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pkl s ARG 424 N -2.11 3.30 0.36 -0.78 0.52 -1.26 -4.69 118.95 114.28 1pkl s ARG 424 Ca 0.28 -0.72 0.19 0.00 -0.52 0.00 0.00 55.73 54.95 1pkl s ARG 424 Cb 0.20 -2.62 0.56 0.00 0.52 0.00 0.00 34.95 33.61 1pkl s ARG 424 CO 0.36 0.12 1.68 1.25 0.02 0.00 0.00 175.30 178.73 1pkl h LEU 425 N 7.00 0.00 -0.77 2.53 5.85 -1.94 -3.03 115.31 124.95 1pkl h LEU 425 Ca -0.28 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.34 1pkl h LEU 425 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1pkl h LEU 425 CO 0.56 0.39 -0.44 -0.61 -0.34 0.00 0.00 178.44 178.00 1pkl h GLN 426 N 0.00 0.00 -0.22 1.25 4.15 -1.96 -2.77 115.11 115.56 1pkl h GLN 426 Ca -0.00 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 1pkl h GLN 426 Cb 1.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1pkl h GLN 426 CO 0.05 0.44 -0.48 1.15 -1.93 0.00 0.00 178.83 178.05 1pkl h THR 427 N 0.00 1.31 -0.88 2.39 2.02 -1.83 0.97 112.91 116.89 1pkl h THR 427 Ca -0.00 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 1pkl h THR 427 Cb 1.01 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 1pkl h THR 427 CO 0.06 0.53 0.54 0.00 0.37 0.00 0.00 175.52 177.02 1pkl h ARG 429 N 1.21 0.42 -0.11 0.00 3.08 -1.27 -3.31 114.38 114.40 1pkl h ARG 429 Ca 0.32 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1pkl h ARG 429 Cb -0.07 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1pkl h ARG 429 CO -0.06 0.99 -0.29 1.96 -1.07 0.00 0.00 179.97 181.49 1pkl h GLN 430 N -0.04 0.21 0.00 0.04 4.20 -0.63 -2.04 115.11 116.86 1pkl h GLN 430 Ca -0.03 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1pkl h GLN 430 Cb 1.07 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1pkl h GLN 430 CO 0.09 0.49 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 1pkl n LEU 431 N -4.13 0.00 0.04 1.46 4.77 -0.19 -2.98 117.00 115.97 1pkl n LEU 431 Ca -0.01 0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1pkl n LEU 431 Cb 0.38 -0.01 0.39 0.00 -2.33 0.00 0.00 43.42 41.85 1pkl n LEU 431 CO 0.40 -0.00 0.78 0.59 -1.33 0.00 0.00 177.39 177.83 1pkl n ASN 432 N -1.01 0.24 -0.90 -1.43 3.02 -0.76 -1.92 115.26 112.49 1pkl n ASN 432 Ca 0.14 0.56 0.09 0.00 -0.03 0.00 0.00 54.58 55.34 1pkl n ASN 432 Cb 0.07 -0.61 0.17 0.00 -0.61 0.00 0.00 39.78 38.81 1pkl n ASN 432 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1pkl n ILE 433 N -1.76 0.57 -3.81 2.41 -5.35 -1.16 -4.79 119.36 105.47 1pkl n ILE 433 Ca 0.03 -0.79 -0.36 0.00 -0.27 0.00 0.00 62.75 61.36 1pkl n ILE 433 Cb 0.20 0.87 -0.12 0.00 -1.74 0.00 0.00 39.64 38.85 1pkl n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1pkl s THR 434 N -1.21 4.34 0.49 7.28 2.01 -0.81 -4.50 115.64 123.24 1pkl s THR 434 Ca 0.30 -0.16 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 1pkl s THR 434 Cb 0.18 -3.02 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 1pkl s THR 434 CO 0.24 0.36 1.34 -1.58 -0.69 0.00 0.00 174.62 174.29 1pkl s GLN 435 N 1.43 3.49 -0.53 4.92 -0.44 -1.26 -3.82 119.66 123.45 1pkl s GLN 435 Ca 0.05 2.21 0.00 0.00 -2.50 0.00 0.00 55.36 55.13 1pkl s GLN 435 Cb -0.15 -2.46 0.00 0.00 -1.64 0.00 0.00 33.01 28.77 1pkl s GLN 435 CO 0.03 -0.90 0.00 0.41 0.50 0.00 0.00 175.29 175.33 1pkl n GLY 436 N 0.64 0.66 3.36 2.59 0.00 0.12 -4.95 105.19 107.63 1pkl n GLY 436 Ca 0.08 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1pkl n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkl s VAL 437 N -1.84 2.13 -0.01 1.61 1.01 -1.25 -1.99 120.40 120.05 1pkl s VAL 437 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1pkl s VAL 437 Cb 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1pkl s VAL 437 CO 0.00 0.06 0.01 -1.61 0.00 0.00 0.00 175.10 173.55 1pkl s GLU 438 N -2.01 0.07 0.01 2.72 2.02 -0.52 -4.96 118.70 116.02 1pkl s GLU 438 Ca 0.12 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.18 1pkl s GLU 438 Cb -0.10 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 33.90 1pkl s GLU 438 CO 0.06 -0.07 0.09 -1.12 0.02 0.00 0.00 175.26 174.24 1pkl s SER 439 N 0.52 5.73 -0.16 -0.19 0.01 -1.26 -0.31 113.70 118.04 1pkl s SER 439 Ca -0.05 0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.36 1pkl s SER 439 Cb -0.07 -1.65 0.02 0.00 0.21 0.00 0.00 66.02 64.54 1pkl s SER 439 CO -0.01 0.25 -0.17 -0.69 0.41 0.00 0.00 173.24 173.03 1pkl s VAL 440 N -1.25 1.78 -0.03 3.43 1.01 0.13 -4.92 120.40 120.54 1pkl s VAL 440 Ca 0.25 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1pkl s VAL 440 Cb -0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1pkl s VAL 440 CO 0.16 0.49 0.85 0.12 0.00 0.00 0.00 175.10 176.73 1pkl s PHE 441 N 1.39 3.62 -0.34 5.22 5.36 -1.26 -1.86 117.98 130.10 1pkl s PHE 441 Ca 0.05 1.50 -0.02 0.00 -0.96 0.00 0.00 56.93 57.49 1pkl s PHE 441 Cb -0.13 -2.98 0.07 0.00 -0.34 0.00 0.00 43.02 39.65 1pkl s PHE 441 CO -0.11 0.03 0.07 0.12 -1.46 0.00 0.00 175.22 173.87 1pkl s PHE 442 N 0.91 3.41 -0.37 10.12 5.36 0.68 -4.94 117.98 133.15 1pkl s PHE 442 Ca 0.45 -2.13 -0.29 0.00 -0.96 0.00 0.00 56.93 54.01 1pkl s PHE 442 Cb -0.20 -2.52 0.00 0.00 -0.34 0.00 0.00 43.02 39.96 1pkl s PHE 442 CO 0.24 -0.87 1.50 0.34 -1.46 0.00 0.00 175.22 174.97 1pkl s ASP 443 N 1.40 6.27 0.07 6.13 -1.08 -1.26 -4.18 116.67 124.02 1pkl s ASP 443 Ca 0.00 1.02 -0.13 0.00 -0.52 0.00 0.00 52.55 52.93 1pkl s ASP 443 Cb -0.21 -2.54 -0.25 0.00 -1.46 0.00 0.00 42.92 38.46 1pkl s ASP 443 CO -0.03 -1.45 1.15 0.00 0.52 0.00 0.00 175.17 175.36 1pkl h ALA 444 N 11.07 0.07 0.00 3.66 0.00 -1.84 -2.60 119.26 129.63 1pkl h ALA 444 Ca -0.29 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1pkl h ALA 444 Cb 1.12 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pkl h ALA 444 CO 1.06 0.72 0.00 -0.25 0.00 0.00 0.00 179.25 180.78 1pkl n ASP 445 N -3.78 0.00 0.00 0.00 8.00 -1.26 0.40 116.55 119.90 1pkl n ASP 445 Ca -0.12 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1pkl n ASP 445 Cb 0.95 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 1pkl n ASP 445 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pkl n LYS 446 N -1.18 0.20 0.00 -1.24 5.02 -1.22 -4.76 118.16 114.98 1pkl n LYS 446 Ca 0.07 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1pkl n LYS 446 Cb 0.08 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1pkl n LYS 446 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pkl n LEU 447 N -0.10 0.07 0.00 -0.35 4.77 -0.98 -5.07 117.00 115.34 1pkl n LEU 447 Ca 0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1pkl n LEU 447 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1pkl n LEU 447 CO 0.00 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1pkl n GLY 448 N -0.01 -3.28 0.04 -0.72 0.00 0.16 -4.63 105.19 96.76 1pkl n GLY 448 Ca 0.00 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.29 1pkl n GLY 448 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pkl n HIS 449 N -0.38 0.34 -3.78 1.61 8.25 -1.26 -4.37 115.22 115.62 1pkl n HIS 449 Ca 0.00 0.10 -0.35 0.00 -0.26 0.00 0.00 57.72 57.21 1pkl n HIS 449 Cb 0.00 -0.55 0.03 0.00 1.12 0.00 0.00 29.99 30.59 1pkl n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1pkl n ASP 450 N -1.82 -5.05 -0.35 0.41 2.03 -1.26 -4.86 116.55 105.64 1pkl n ASP 450 Ca 0.05 -1.07 0.06 0.00 0.52 0.00 0.00 54.79 54.36 1pkl n ASP 450 Cb 0.39 -2.82 0.24 0.00 -0.72 0.00 0.00 41.12 38.20 1pkl n ASP 450 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1pkl h GLU 451 N -1.93 0.99 0.00 -0.67 4.57 -1.99 -1.62 114.58 113.93 1pkl h GLU 451 Ca -0.66 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 1pkl h GLU 451 Cb 1.36 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1pkl h GLU 451 CO 0.48 0.65 0.00 0.78 -1.18 0.00 0.00 179.01 179.74 1pkl h GLY 452 N 1.02 0.00 0.00 1.92 0.00 -2.05 -3.47 103.07 100.49 1pkl h GLY 452 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1pkl h GLY 452 CO -0.23 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.59 1pkl n LYS 453 N -2.81 0.00 -0.24 4.80 5.02 -0.61 -4.90 118.16 119.42 1pkl n LYS 453 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 1pkl n LYS 453 Cb 0.33 -2.74 0.04 0.00 -0.02 0.00 0.00 35.03 32.64 1pkl n LYS 453 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1pkl h GLU 454 N 2.19 1.05 -0.58 1.97 9.09 -1.91 -1.24 114.58 125.15 1pkl h GLU 454 Ca 0.00 -0.25 -0.07 0.00 0.05 0.00 0.00 59.36 59.09 1pkl h GLU 454 Cb 0.00 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 26.94 1pkl h GLU 454 CO 0.00 0.94 0.07 0.45 0.05 0.00 0.00 179.01 180.52 1pkl h HIS 455 N 0.98 1.00 -0.36 2.06 3.86 -1.91 -0.28 115.15 120.50 1pkl h HIS 455 Ca 0.21 -0.13 -0.14 0.00 -1.16 0.00 0.00 60.37 59.15 1pkl h HIS 455 Cb 0.35 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1pkl h HIS 455 CO 0.03 0.86 -0.33 0.00 0.86 0.00 0.00 177.93 179.36 1pkl h ARG 456 N 0.89 0.86 -0.58 2.45 3.08 -1.89 -1.27 114.38 117.92 1pkl h ARG 456 Ca 0.18 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1pkl h ARG 456 Cb 0.42 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1pkl h ARG 456 CO 0.01 1.08 0.33 0.28 -1.07 0.00 0.00 179.97 180.60 1pkl h VAL 457 N 0.65 1.18 -0.82 2.04 2.07 -1.00 -0.74 116.25 119.64 1pkl h VAL 457 Ca 0.06 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1pkl h VAL 457 Cb 0.91 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1pkl h VAL 457 CO 0.08 0.20 0.47 0.00 0.02 0.00 0.00 177.57 178.34 1pkl h ALA 458 N 1.15 1.04 -0.52 1.67 0.00 -0.92 -0.37 119.26 121.32 1pkl h ALA 458 Ca 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pkl h ALA 458 Cb 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1pkl h ALA 458 CO -0.03 0.52 0.21 0.00 0.00 0.00 0.00 179.25 179.95 1pkl h ALA 459 N 1.25 0.68 -0.67 0.00 0.00 -0.72 -0.06 119.26 119.74 1pkl h ALA 459 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1pkl h ALA 459 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1pkl h ALA 459 CO -0.05 0.29 0.14 0.78 0.00 0.00 0.00 179.25 180.41 1pkl h GLY 460 N 0.70 1.16 1.29 0.00 0.00 -0.61 -2.03 103.07 103.58 1pkl h GLY 460 Ca 0.17 -0.75 -0.15 0.00 0.00 0.00 0.00 47.33 46.61 1pkl h GLY 460 CO -0.01 0.69 -0.40 -2.08 0.00 0.00 0.00 176.54 174.74 1pkl h VAL 461 N 1.01 1.28 -0.69 4.60 2.07 -0.84 -2.26 116.25 121.41 1pkl h VAL 461 Ca 0.21 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 1pkl h VAL 461 Cb 0.39 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1pkl h VAL 461 CO 0.01 0.51 0.18 -0.33 0.02 0.00 0.00 177.57 177.96 1pkl h GLU 462 N 0.64 1.10 -0.45 1.57 4.39 -0.84 0.19 114.58 121.19 1pkl h GLU 462 Ca 0.05 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1pkl h GLU 462 Cb 0.96 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1pkl h GLU 462 CO 0.09 0.97 0.26 0.35 -1.16 0.00 0.00 179.01 179.52 1pkl h PHE 463 N 1.04 0.61 -0.87 4.33 3.57 -1.29 0.73 116.94 125.06 1pkl h PHE 463 Ca 0.22 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1pkl h PHE 463 Cb 0.35 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1pkl h PHE 463 CO 0.03 0.44 0.45 0.00 -2.23 0.00 0.00 178.31 177.00 1pkl h ALA 464 N 1.11 1.12 -0.25 2.41 0.00 -1.05 -0.14 119.26 122.45 1pkl h ALA 464 Ca 0.16 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1pkl h ALA 464 Cb 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1pkl h ALA 464 CO -0.03 0.65 -0.29 -0.22 0.00 0.00 0.00 179.25 179.37 1pkl h LYS 465 N 1.23 0.64 0.00 0.00 3.64 -0.43 0.91 116.57 122.55 1pkl h LYS 465 Ca 0.30 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1pkl h LYS 465 Cb 0.07 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1pkl h LYS 465 CO -0.04 0.96 -0.11 0.66 -2.27 0.00 0.00 179.45 178.64 1pkl h SER 466 N 0.36 0.00 -0.12 4.20 4.64 0.10 0.00 113.55 122.73 1pkl h SER 466 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1pkl h SER 466 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1pkl h SER 466 CO 0.07 0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.43 1pkl n LYS 467 N -3.96 1.97 -1.24 4.77 4.76 -0.11 -4.95 118.16 119.40 1pkl n LYS 467 Ca -0.02 -1.44 -0.07 0.00 -2.87 0.00 0.00 58.31 53.91 1pkl n LYS 467 Cb 0.20 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 1pkl n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pkl n GLY 468 N 1.26 0.86 0.12 0.72 0.00 -0.01 -4.93 105.19 103.21 1pkl n GLY 468 Ca 0.17 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 1pkl n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1pkl h TYR 469 N 0.00 0.45 -4.03 1.61 0.05 -1.03 -3.46 116.97 110.55 1pkl h TYR 469 Ca -0.14 -0.25 -0.55 0.00 0.05 0.00 0.00 58.73 57.84 1pkl h TYR 469 Cb 0.47 -0.05 -0.24 0.00 1.01 0.00 0.00 36.73 37.93 1pkl h TYR 469 CO 0.19 1.09 -0.83 0.14 -1.05 0.00 0.00 178.16 177.70 1pkl s VAL 470 N -3.04 1.61 0.00 -2.88 -7.23 -1.18 -4.80 120.40 102.87 1pkl s VAL 470 Ca -0.14 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1pkl s VAL 470 Cb 0.02 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1pkl s VAL 470 CO 0.79 0.04 0.00 0.00 -0.31 0.00 0.00 175.10 175.62 1pkl n GLN 471 N 1.48 3.75 -2.91 4.82 6.02 -1.26 -4.28 117.38 125.00 1pkl n GLN 471 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.43 1pkl n GLN 471 Cb 0.54 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.73 1pkl n GLN 471 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1pkl s THR 472 N 0.91 4.33 0.00 5.09 2.01 -1.26 -3.32 115.64 123.39 1pkl s THR 472 Ca 0.00 1.68 0.00 0.00 0.31 0.00 0.00 61.69 63.68 1pkl s THR 472 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1pkl s THR 472 CO 0.00 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 1pkl n GLY 473 N 0.93 3.05 3.76 4.40 0.00 0.13 -4.93 105.19 112.53 1pkl n GLY 473 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1pkl n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkl s ASP 474 N -0.81 5.20 0.14 1.61 1.01 -1.21 -4.66 116.67 117.95 1pkl s ASP 474 Ca 0.00 2.25 -0.07 0.00 0.71 0.00 0.00 52.55 55.44 1pkl s ASP 474 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 1pkl s ASP 474 CO 0.00 -1.58 0.42 -0.31 0.21 0.00 0.00 175.17 173.91 1pkl s TYR 475 N -1.83 3.50 -0.11 4.23 2.02 -1.26 -0.09 117.35 123.80 1pkl s TYR 475 Ca 0.74 0.70 -0.04 0.00 -0.37 0.00 0.00 57.07 58.09 1pkl s TYR 475 Cb -0.26 -2.11 0.06 0.00 -0.40 0.00 0.00 41.96 39.24 1pkl s TYR 475 CO 0.34 0.42 0.23 0.00 -1.57 0.00 0.00 175.55 174.97 1pkl s VAL 477 N 2.15 4.98 -0.17 0.00 1.01 -0.84 -0.71 120.40 126.82 1pkl s VAL 477 Ca -0.00 1.27 -0.06 0.00 0.00 0.00 0.00 61.98 63.19 1pkl s VAL 477 Cb -0.12 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1pkl s VAL 477 CO -0.08 0.07 0.02 -0.69 0.00 0.00 0.00 175.10 174.43 1pkl s VAL 478 N 2.09 4.39 0.26 2.92 1.01 0.48 -0.50 120.40 131.05 1pkl s VAL 478 Ca 0.30 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1pkl s VAL 478 Cb -0.16 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1pkl s VAL 478 CO 0.10 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 174.89 1pkl s ILE 479 N 0.35 2.11 -0.30 2.22 -1.09 0.06 -1.12 121.20 123.44 1pkl s ILE 479 Ca -0.00 -2.29 -0.15 0.00 -2.23 0.00 0.00 60.65 55.98 1pkl s ILE 479 Cb -0.13 -2.26 0.18 0.00 -1.58 0.00 0.00 42.46 38.66 1pkl s ILE 479 CO 0.01 -0.44 1.09 -2.28 -1.23 0.00 0.00 174.94 172.10 1pkl s HIS 480 N -2.73 -0.45 -0.14 3.97 5.65 -0.90 -2.71 115.29 117.98 1pkl s HIS 480 Ca 0.28 0.62 -0.01 0.00 0.25 0.00 0.00 55.06 56.19 1pkl s HIS 480 Cb -0.02 0.21 0.03 0.00 -1.18 0.00 0.00 32.58 31.63 1pkl s HIS 480 CO 0.12 -0.24 -0.05 0.00 -0.65 0.00 0.00 174.74 173.92 1pkl s ALA 481 N 2.62 1.34 -0.02 1.58 0.00 -1.26 -1.57 121.76 124.45 1pkl s ALA 481 Ca -0.02 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1pkl s ALA 481 Cb -0.07 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1pkl s ALA 481 CO -0.14 -0.63 0.00 -0.25 0.00 0.00 0.00 175.76 174.75 1pkl n ASP 482 N 4.93 -2.32 0.00 0.00 9.92 -1.25 -4.87 116.55 122.96 1pkl n ASP 482 Ca -0.12 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 1pkl n ASP 482 Cb 0.49 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 1pkl n ASP 482 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pkl n HIS 483 N 0.06 0.00 0.36 1.24 -0.00 -1.05 -4.52 115.22 111.31 1pkl n HIS 483 Ca -0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.86 1pkl n HIS 483 Cb 0.01 0.00 0.49 0.00 -0.00 0.00 0.00 29.99 30.49 1pkl n HIS 483 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 1pkl h LYS 484 N 0.00 0.00 0.00 -1.40 2.10 -1.99 -3.46 116.57 111.82 1pkl h LYS 484 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pkl h LYS 484 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1pkl h LYS 484 CO 0.00 0.00 0.00 1.55 -2.00 0.00 0.00 179.45 179.00 1pkl n VAL 485 N -2.69 0.00 -3.41 0.07 3.14 -1.26 -5.17 118.33 109.01 1pkl n VAL 485 Ca 0.02 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.36 1pkl n VAL 485 Cb 0.34 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.13 1pkl n VAL 485 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1pkl n LYS 486 N -2.95 0.50 0.00 1.45 0.00 -1.26 -5.00 118.16 110.91 1pkl n LYS 486 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 58.31 57.26 1pkl n LYS 486 Cb 0.00 1.28 0.00 0.00 0.00 0.00 0.00 35.03 36.31 1pkl n LYS 486 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pkl n GLY 487 N -0.25 1.84 3.56 3.14 0.00 -1.26 -4.73 105.19 107.50 1pkl n GLY 487 Ca -0.04 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1pkl n GLY 487 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1pkl n TYR 488 N 0.00 0.35 -1.72 1.61 0.18 -1.26 -4.94 117.16 111.38 1pkl n TYR 488 Ca 0.00 0.47 0.00 0.00 1.88 0.00 0.00 57.90 60.25 1pkl n TYR 488 Cb 0.00 -2.09 0.00 0.00 -0.38 0.00 0.00 39.34 36.87 1pkl n TYR 488 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1pkl n ALA 489 N -1.44 0.00 0.00 -3.48 0.00 -1.26 -2.54 120.51 111.79 1pkl n ALA 489 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1pkl n ALA 489 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1pkl n ALA 489 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pkl n ASN 490 N 0.00 0.00 -3.15 0.00 3.02 -1.20 -4.56 115.26 109.37 1pkl n ASN 490 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 1pkl n ASN 490 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1pkl n ASN 490 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1pkl s GLN 491 N 0.00 0.11 -0.05 3.52 -0.44 -0.61 -4.96 119.66 117.24 1pkl s GLN 491 Ca 0.00 0.14 0.06 0.00 -2.50 0.00 0.00 55.36 53.06 1pkl s GLN 491 Cb 0.00 0.07 -0.01 0.00 -1.64 0.00 0.00 33.01 31.43 1pkl s GLN 491 CO 0.00 -0.19 -0.25 0.99 0.50 0.00 0.00 175.29 176.34 1pkl s THR 492 N 2.97 2.09 0.05 -0.34 2.01 -1.26 -2.12 115.64 119.04 1pkl s THR 492 Ca 0.19 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1pkl s THR 492 Cb -0.04 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1pkl s THR 492 CO -0.19 0.57 -0.07 -0.13 -0.69 0.00 0.00 174.62 174.11 1pkl s ARG 493 N -0.23 0.58 -0.50 4.92 0.52 -0.27 -4.98 118.95 118.99 1pkl s ARG 493 Ca -0.01 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1pkl s ARG 493 Cb -0.13 -0.23 0.13 0.00 0.52 0.00 0.00 34.95 35.23 1pkl s ARG 493 CO 0.03 0.02 0.24 0.42 0.02 0.00 0.00 175.30 176.03 1pkl s ILE 494 N -1.93 2.59 0.79 1.52 1.01 -1.26 -0.39 121.20 123.53 1pkl s ILE 494 Ca -0.05 -3.18 -0.12 0.00 0.00 0.00 0.00 60.65 57.30 1pkl s ILE 494 Cb -0.06 -2.81 0.07 0.00 0.01 0.00 0.00 42.46 39.67 1pkl s ILE 494 CO -0.01 -0.78 1.11 -0.76 0.00 0.00 0.00 174.94 174.50 1pkl s LEU 495 N -0.13 2.59 -0.26 2.97 1.43 0.11 -4.86 118.68 120.53 1pkl s LEU 495 Ca 0.16 1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1pkl s LEU 495 Cb -0.25 -3.82 0.04 0.00 0.03 0.00 0.00 46.19 42.19 1pkl s LEU 495 CO -0.01 -1.91 -0.07 -0.22 0.23 0.00 0.00 176.35 174.37 1pkl s LEU 496 N -5.71 3.31 0.54 1.79 2.96 -1.26 -2.29 118.68 118.02 1pkl s LEU 496 Ca 0.61 -1.05 -0.18 0.00 -0.22 0.00 0.00 54.13 53.29 1pkl s LEU 496 Cb -0.14 -1.63 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 1pkl s LEU 496 CO 0.53 -0.16 1.05 -0.69 -1.32 0.00 0.00 176.35 175.77 1pkl s VAL 497 N 1.26 3.79 0.00 1.68 1.01 0.87 -4.88 120.40 124.13 1pkl s VAL 497 Ca -0.03 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1pkl s VAL 497 Cb -0.18 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1pkl s VAL 497 CO -0.05 -0.38 0.49 -0.62 0.00 0.00 0.00 175.10 174.54