#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 1.21 -0.44 4.33 5.75 -1.99 -1.76 115.11 122.21 1pkl h GLN 2 Ca 0.00 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.31 1pkl h GLN 2 Cb 0.00 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 1pkl h GLN 2 CO 0.00 0.90 0.11 1.25 -2.65 0.00 0.00 178.83 178.44 1pkl h LEU 3 N 1.21 0.67 -0.68 -2.39 6.46 -2.02 -1.52 115.31 117.06 1pkl h LEU 3 Ca 0.30 -0.23 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1pkl h LEU 3 Cb 0.05 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 1pkl h LEU 3 CO -0.05 0.72 0.24 0.00 -0.62 0.00 0.00 178.44 178.73 1pkl h ALA 4 N 0.97 0.88 -0.92 1.25 0.00 -1.98 -2.86 119.26 116.61 1pkl h ALA 4 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pkl h ALA 4 Cb 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1pkl h ALA 4 CO 0.00 0.54 0.53 1.25 0.00 0.00 0.00 179.25 181.57 1pkl h HIS 5 N 0.98 1.24 -0.14 0.00 -0.00 -1.09 -2.63 115.15 113.51 1pkl h HIS 5 Ca 0.22 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.58 1pkl h HIS 5 Cb 0.26 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1pkl h HIS 5 CO 0.02 0.84 0.10 -0.91 -0.00 0.00 0.00 177.93 177.98 1pkl h ASN 6 N 1.28 0.14 0.11 3.26 2.35 -1.04 -2.32 115.58 119.37 1pkl h ASN 6 Ca 0.33 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 1pkl h ASN 6 Cb -0.01 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1pkl h ASN 6 CO -0.06 0.10 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.54 1pkl h LEU 7 N 0.17 0.18 0.00 1.61 3.38 -1.47 -2.90 115.31 116.28 1pkl h LEU 7 Ca 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pkl h LEU 7 Cb 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1pkl h LEU 7 CO -0.01 0.41 -0.35 0.35 0.09 0.00 0.00 178.44 178.93 1pkl n THR 8 N -4.21 0.20 -1.72 0.22 -2.24 -0.88 -4.95 114.28 100.70 1pkl n THR 8 Ca -0.01 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 1pkl n THR 8 Cb 0.32 -0.17 0.04 0.00 -2.10 0.00 0.00 70.33 68.42 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 -3.62 3.25 -0.17 3.22 1.43 -1.10 -5.07 118.68 116.62 1pkl s LEU 9 Ca 0.10 1.69 -0.07 0.00 -1.03 0.00 0.00 54.13 54.82 1pkl s LEU 9 Cb 0.16 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.94 1pkl s LEU 9 CO 0.65 -1.36 0.37 -0.55 0.23 0.00 0.00 176.35 175.69 1pkl s SER 10 N -3.45 -0.16 0.26 2.29 0.15 -1.26 -5.03 113.70 106.50 1pkl s SER 10 Ca 0.60 0.85 0.24 0.00 0.70 0.00 0.00 55.95 58.34 1pkl s SER 10 Cb -0.15 1.03 0.97 0.00 -1.71 0.00 0.00 66.02 66.16 1pkl s SER 10 CO 0.49 -0.22 1.72 2.30 1.20 0.00 0.00 173.24 178.73 1pkl n ILE 11 N 5.09 0.80 0.96 6.45 -5.35 -1.26 -2.58 119.36 123.48 1pkl n ILE 11 Ca -0.12 0.17 0.12 0.00 -0.27 0.00 0.00 62.75 62.65 1pkl n ILE 11 Cb 0.51 -1.10 0.25 0.00 -1.74 0.00 0.00 39.64 37.57 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 -2.26 0.04 -1.30 4.28 3.72 -1.26 -4.92 117.46 115.77 1pkl n PHE 12 Ca 0.02 0.01 -0.30 0.00 -0.05 0.00 0.00 57.45 57.14 1pkl n PHE 12 Cb 0.25 -0.29 0.12 0.00 -0.94 0.00 0.00 39.48 38.62 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 -3.10 3.84 0.27 4.37 1.01 -1.06 -5.00 116.67 117.00 1pkl s ASP 13 Ca 0.11 1.48 -0.27 0.00 0.71 0.00 0.00 52.55 54.57 1pkl s ASP 13 Cb 0.17 -2.18 -0.09 0.00 1.01 0.00 0.00 42.92 41.83 1pkl s ASP 13 CO 0.70 -2.40 0.92 -2.16 0.21 0.00 0.00 175.17 172.43 1pkl s PRO 14 N -4.98 4.68 -0.21 8.23 0.04 -1.26 -5.04 135.00 136.46 1pkl s PRO 14 Ca 0.62 1.36 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 1pkl s PRO 14 Cb -0.17 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 1pkl s PRO 14 CO 0.56 0.41 0.26 0.14 0.04 0.00 0.00 177.00 178.41 1pkl s VAL 15 N -1.39 5.30 -0.01 -0.36 -7.23 -1.26 -5.03 120.40 110.43 1pkl s VAL 15 Ca 0.45 0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 60.74 1pkl s VAL 15 Cb -0.22 -3.59 -0.08 0.00 0.56 0.00 0.00 36.38 33.04 1pkl s VAL 15 CO 0.27 0.33 2.00 0.00 -0.31 0.00 0.00 175.10 177.40 1pkl s ALA 16 N 0.97 3.45 -0.98 1.32 0.00 -1.26 -4.81 121.76 120.44 1pkl s ALA 16 Ca 0.13 1.23 -0.21 0.00 0.00 0.00 0.00 51.96 53.11 1pkl s ALA 16 Cb -0.14 -3.88 -0.11 0.00 0.00 0.00 0.00 23.12 19.00 1pkl s ALA 16 CO 0.05 -1.76 1.94 0.09 0.00 0.00 0.00 175.76 176.08 1pkl n ASN 17 N 8.19 2.95 -3.68 0.00 4.13 -1.26 -4.76 115.26 120.83 1pkl n ASN 17 Ca 0.21 -2.72 -0.12 0.00 1.68 0.00 0.00 54.58 53.64 1pkl n ASN 17 Cb 0.42 -1.38 -0.13 0.00 -1.54 0.00 0.00 39.78 37.15 1pkl n ASN 17 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1pkl s TYR 18 N 6.47 -0.45 -0.21 3.10 5.04 -1.26 -5.14 117.35 124.90 1pkl s TYR 18 Ca 0.59 1.01 -0.03 0.00 -2.44 0.00 0.00 57.07 56.20 1pkl s TYR 18 Cb 0.10 0.05 -0.00 0.00 0.35 0.00 0.00 41.96 42.45 1pkl s TYR 18 CO 0.10 -0.33 -0.08 0.50 -1.34 0.00 0.00 175.55 174.40 1pkl s ARG 19 N 2.02 3.30 -0.02 4.97 3.52 -1.26 -4.89 118.95 126.58 1pkl s ARG 19 Ca -0.03 -0.67 -0.17 0.00 -0.13 0.00 0.00 55.73 54.73 1pkl s ARG 19 Cb -0.11 -2.91 -0.33 0.00 -1.56 0.00 0.00 34.95 30.05 1pkl s ARG 19 CO -0.09 -0.19 0.85 0.00 -0.81 0.00 0.00 175.30 175.06 1pkl h ALA 20 N 8.03 -0.05 -2.94 6.12 0.00 -1.96 -3.45 119.26 125.01 1pkl h ALA 20 Ca -0.42 -0.89 -0.54 0.00 0.00 0.00 0.00 54.91 53.06 1pkl h ALA 20 Cb 1.16 0.24 0.13 0.00 0.00 0.00 0.00 17.79 19.32 1pkl h ALA 20 CO 0.61 0.67 0.49 0.00 0.00 0.00 0.00 179.25 181.02 1pkl s ALA 21 N -2.53 2.49 0.05 0.00 0.00 -1.26 -0.53 121.76 119.98 1pkl s ALA 21 Ca -0.13 1.10 0.05 0.00 0.00 0.00 0.00 51.96 52.98 1pkl s ALA 21 Cb 0.03 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1pkl s ALA 21 CO 0.87 -1.34 -0.09 1.03 0.00 0.00 0.00 175.76 176.24 1pkl s ARG 22 N -3.33 2.34 -0.18 0.00 1.81 -0.56 -4.91 118.95 114.12 1pkl s ARG 22 Ca 0.79 -0.87 -0.03 0.00 -1.72 0.00 0.00 55.73 53.90 1pkl s ARG 22 Cb -0.34 -2.40 -0.02 0.00 -0.45 0.00 0.00 34.95 31.75 1pkl s ARG 22 CO 0.36 0.55 -0.05 0.42 -0.68 0.00 0.00 175.30 175.91 1pkl s ILE 23 N -1.10 3.65 -0.19 1.52 1.01 -1.26 -1.22 121.20 123.61 1pkl s ILE 23 Ca 0.19 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1pkl s ILE 23 Cb -0.11 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1pkl s ILE 23 CO 0.11 0.47 0.02 -0.63 0.00 0.00 0.00 174.94 174.91 1pkl s ILE 24 N 0.77 4.31 -0.07 2.92 1.01 -0.66 -1.12 121.20 128.36 1pkl s ILE 24 Ca -0.02 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.48 1pkl s ILE 24 Cb -0.15 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1pkl s ILE 24 CO 0.02 0.45 -0.23 0.00 0.00 0.00 0.00 174.94 175.18 1pkl s THR 26 N -0.08 4.91 0.20 0.00 2.01 -0.56 -0.54 115.64 121.58 1pkl s THR 26 Ca -0.05 1.70 -0.20 0.00 0.31 0.00 0.00 61.69 63.45 1pkl s THR 26 Cb -0.14 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 1pkl s THR 26 CO 0.04 0.11 0.72 -0.63 -0.69 0.00 0.00 174.62 174.17 1pkl s ILE 27 N 1.55 4.56 0.00 1.82 -1.09 -0.61 -2.42 121.20 125.02 1pkl s ILE 27 Ca 0.42 1.31 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 1pkl s ILE 27 Cb -0.18 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 1pkl s ILE 27 CO 0.17 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 1pkl n GLY 28 N 0.88 2.46 0.23 6.18 0.00 -1.25 -4.71 105.19 108.97 1pkl n GLY 28 Ca -0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.07 0.00 1.61 0.11 -1.79 0.29 132.00 132.29 1pkl h PRO 29 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pkl h PRO 29 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1pkl h PRO 29 CO 0.00 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 176.70 1pkl n SER 30 N -5.32 0.00 -0.13 -2.05 3.41 -0.96 -3.84 113.62 104.72 1pkl n SER 30 Ca 0.07 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1pkl n SER 30 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.84 0.00 0.10 6.66 -2.24 -0.28 -4.92 114.28 112.76 1pkl n THR 31 Ca 0.15 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.90 1pkl n THR 31 Cb 0.07 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 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 -7.12 -0.78 4.15 -0.60 -3.34 115.11 107.42 1pkl h GLN 32 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 1pkl h GLN 32 Cb 1.09 0.00 0.14 0.00 0.21 0.00 0.00 27.48 28.92 1pkl h GLN 32 CO 0.00 0.80 0.48 -1.54 -1.93 0.00 0.00 178.83 176.64 1pkl s SER 33 N -6.66 4.76 0.50 -0.69 1.04 -1.26 -4.80 113.70 106.59 1pkl s SER 33 Ca 0.01 2.48 0.25 0.00 0.48 0.00 0.00 55.95 59.18 1pkl s SER 33 Cb 0.10 -2.61 1.31 0.00 0.10 0.00 0.00 66.02 64.93 1pkl s SER 33 CO 0.79 -1.89 2.03 1.62 0.98 0.00 0.00 173.24 176.76 1pkl h VAL 34 N 0.53 0.66 -0.35 5.02 3.04 -1.90 -0.71 116.25 122.53 1pkl h VAL 34 Ca -0.50 -0.64 -0.16 0.00 -1.01 0.00 0.00 66.70 64.38 1pkl h VAL 34 Cb 1.31 1.40 -0.00 0.00 -2.01 0.00 0.00 31.29 31.99 1pkl h VAL 34 CO 0.53 0.15 -0.42 -0.08 -1.01 0.00 0.00 177.57 176.74 1pkl h GLU 35 N 0.00 0.91 -0.24 4.17 4.81 -1.94 -2.22 114.58 120.07 1pkl h GLU 35 Ca -0.00 -0.50 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 1pkl h GLU 35 Cb 0.39 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1pkl h GLU 35 CO 0.02 1.15 -0.31 0.00 -0.73 0.00 0.00 179.01 179.14 1pkl h ALA 36 N 0.74 1.02 -0.41 2.92 0.00 -1.70 -2.58 119.26 119.25 1pkl h ALA 36 Ca 0.05 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1pkl h ALA 36 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1pkl h ALA 36 CO 0.10 0.59 -0.33 -0.07 0.00 0.00 0.00 179.25 179.54 1pkl h LEU 37 N 0.42 0.99 -0.81 0.00 3.38 -1.09 -2.05 115.31 116.16 1pkl h LEU 37 Ca 0.05 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1pkl h LEU 37 Cb 0.76 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1pkl h LEU 37 CO 0.06 1.22 0.40 0.11 0.09 0.00 0.00 178.44 180.32 1pkl h LYS 38 N 0.79 1.16 -0.68 1.13 1.57 -1.34 0.13 116.57 119.33 1pkl h LYS 38 Ca 0.08 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1pkl h LYS 38 Cb 0.91 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1pkl h LYS 38 CO 0.09 0.89 0.35 0.78 -0.57 0.00 0.00 179.45 180.99 1pkl h GLY 39 N 1.15 1.01 1.06 3.86 0.00 -1.27 0.13 103.07 109.02 1pkl h GLY 39 Ca 0.28 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1pkl h GLY 39 CO -0.04 0.44 -0.42 1.41 0.00 0.00 0.00 176.54 177.94 1pkl h LEU 40 N 0.95 0.88 -0.40 3.11 4.07 -0.78 -1.35 115.31 121.79 1pkl h LEU 40 Ca 0.24 -0.51 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 1pkl h LEU 40 Cb 0.06 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 1pkl h LEU 40 CO -0.04 1.21 0.17 0.40 -1.08 0.00 0.00 178.44 179.11 1pkl h ILE 41 N 0.57 1.19 -0.17 1.22 2.04 -0.47 -1.15 117.51 120.75 1pkl h ILE 41 Ca 0.03 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 1pkl h ILE 41 Cb 1.02 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1pkl h ILE 41 CO 0.10 0.21 -0.19 1.56 0.00 0.00 0.00 178.15 179.83 1pkl h GLN 42 N 0.51 0.28 0.00 2.37 4.20 -0.69 -2.68 115.11 119.09 1pkl h GLN 42 Ca 0.14 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1pkl h GLN 42 Cb 0.18 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1pkl h GLN 42 CO -0.01 0.47 -0.45 0.77 -0.67 0.00 0.00 178.83 178.94 1pkl h SER 43 N 0.26 0.00 0.00 1.46 0.02 -0.85 -3.47 113.55 110.97 1pkl h SER 43 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1pkl h SER 43 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1pkl h SER 43 CO 0.03 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.78 1pkl n GLY 44 N 0.44 -0.88 3.73 -3.77 0.00 -0.72 -3.94 105.19 100.04 1pkl n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.36 -0.08 1.61 0.00 -0.51 -4.31 119.30 120.37 1pkl s MET 45 Ca 0.00 2.05 0.07 0.00 0.00 0.00 0.00 55.69 57.81 1pkl s MET 45 Cb 0.00 -3.23 -0.10 0.00 0.00 0.00 0.00 34.83 31.51 1pkl s MET 45 CO 0.00 -0.34 0.03 0.43 0.00 0.00 0.00 175.02 175.14 1pkl n SER 46 N 3.33 3.10 -4.10 1.11 7.64 -0.27 -4.66 113.62 119.76 1pkl n SER 46 Ca 0.09 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.75 1pkl n SER 46 Cb 0.43 0.70 -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 -2.19 1.07 -0.29 0.44 1.01 -1.14 -1.98 120.40 117.32 1pkl s VAL 47 Ca -0.04 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1pkl s VAL 47 Cb 0.02 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1pkl s VAL 47 CO 0.32 0.30 0.09 0.00 0.00 0.00 0.00 175.10 175.81 1pkl s ALA 48 N -0.28 3.09 -0.17 5.51 0.00 -0.19 -1.27 121.76 128.45 1pkl s ALA 48 Ca 0.04 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.44 1pkl s ALA 48 Cb -0.06 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 1pkl s ALA 48 CO -0.00 -0.91 0.26 0.50 0.00 0.00 0.00 175.76 175.62 1pkl s ARG 49 N 1.52 4.24 -0.34 0.00 3.52 0.29 -1.36 118.95 126.82 1pkl s ARG 49 Ca 0.03 0.03 -0.10 0.00 -0.13 0.00 0.00 55.73 55.56 1pkl s ARG 49 Cb -0.17 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1pkl s ARG 49 CO 0.03 0.23 0.17 -1.64 -0.81 0.00 0.00 175.30 173.27 1pkl s MET 50 N 0.52 3.08 -0.65 5.12 -1.94 0.29 -1.57 119.30 124.15 1pkl s MET 50 Ca 0.15 -0.90 -0.26 0.00 -1.71 0.00 0.00 55.69 52.97 1pkl s MET 50 Cb -0.13 -3.62 0.04 0.00 2.01 0.00 0.00 34.83 33.13 1pkl s MET 50 CO 0.03 -0.55 1.15 1.21 -0.01 0.00 0.00 175.02 176.85 1pkl s ASN 51 N 1.57 6.27 0.00 3.03 3.84 -1.26 -0.49 114.94 127.89 1pkl s ASN 51 Ca 0.03 -0.38 0.11 0.00 0.21 0.00 0.00 52.86 52.83 1pkl s ASN 51 Cb -0.18 -2.51 0.63 0.00 -0.55 0.00 0.00 41.25 38.63 1pkl s ASN 51 CO 0.06 -1.58 1.32 0.49 -2.79 0.00 0.00 177.10 174.60 1pkl n PHE 52 N 8.54 0.00 1.45 0.43 3.01 0.15 -3.28 117.46 127.77 1pkl n PHE 52 Ca 0.03 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.64 1pkl n PHE 52 Cb 0.48 0.00 0.74 0.00 -0.01 0.00 0.00 39.48 40.69 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 -0.68 0.09 -3.71 4.37 3.41 -1.26 -4.55 113.62 111.29 1pkl n SER 53 Ca 0.08 -0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.28 1pkl n SER 53 Cb 0.04 -0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 63.67 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 -2.52 -0.38 0.00 7.33 3.76 -1.21 -5.04 115.29 117.22 1pkl s HIS 54 Ca 0.30 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 56.00 1pkl s HIS 54 Cb 0.20 0.17 0.00 0.00 1.11 0.00 0.00 32.58 34.06 1pkl s HIS 54 CO 0.46 -0.35 0.00 0.41 -0.85 0.00 0.00 174.74 174.41 1pkl n GLY 55 N 1.93 1.29 3.98 -2.22 0.00 -1.26 -4.83 105.19 104.09 1pkl n GLY 55 Ca -0.17 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.56 4.38 0.39 1.61 1.04 -1.26 -4.94 113.70 114.37 1pkl s SER 56 Ca 0.00 -0.26 0.12 0.00 0.48 0.00 0.00 55.95 56.29 1pkl s SER 56 Cb 0.00 -0.16 0.80 0.00 0.10 0.00 0.00 66.02 66.77 1pkl s SER 56 CO 0.00 -1.84 1.89 0.45 0.98 0.00 0.00 173.24 174.72 1pkl h HIS 57 N -0.54 0.07 -0.30 5.02 -0.00 -1.98 -2.05 115.15 115.37 1pkl h HIS 57 Ca -0.38 -0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 59.84 1pkl h HIS 57 Cb 1.27 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.65 1pkl h HIS 57 CO -0.17 0.33 -0.40 1.49 -0.00 0.00 0.00 177.93 179.17 1pkl h GLU 58 N 0.06 0.72 -0.34 2.45 4.81 -1.98 -0.17 114.58 120.12 1pkl h GLU 58 Ca 0.01 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1pkl h GLU 58 Cb 0.51 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1pkl h GLU 58 CO 0.04 0.99 0.13 -0.92 -0.73 0.00 0.00 179.01 178.51 1pkl h TYR 59 N 0.59 0.52 0.00 0.92 3.20 -1.83 -2.16 116.97 118.21 1pkl h TYR 59 Ca 0.05 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 1pkl h TYR 59 Cb 0.94 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1pkl h TYR 59 CO 0.05 0.49 -0.41 0.45 -1.64 0.00 0.00 178.16 177.10 1pkl h HIS 60 N 0.40 0.00 -0.46 -3.82 3.86 -1.33 -2.82 115.15 110.97 1pkl h HIS 60 Ca 0.11 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 1pkl h HIS 60 Cb 0.19 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1pkl h HIS 60 CO -0.00 0.41 -0.08 0.37 0.86 0.00 0.00 177.93 179.49 1pkl h GLN 61 N 0.00 0.82 -0.72 2.45 5.75 -0.71 -0.45 115.11 122.26 1pkl h GLN 61 Ca -0.00 -0.27 -0.06 0.00 -0.15 0.00 0.00 58.65 58.17 1pkl h GLN 61 Cb 1.01 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.46 1pkl h GLN 61 CO 0.05 0.88 0.22 1.15 -2.65 0.00 0.00 178.83 178.49 1pkl h THR 62 N 0.75 1.26 -0.42 2.39 2.02 -1.16 -0.57 112.91 117.18 1pkl h THR 62 Ca 0.13 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1pkl h THR 62 Cb 0.57 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1pkl h THR 62 CO 0.04 0.35 0.09 0.74 0.37 0.00 0.00 175.52 177.11 1pkl h THR 63 N 1.06 1.24 -0.16 3.16 2.02 -1.28 0.39 112.91 119.34 1pkl h THR 63 Ca 0.23 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1pkl h THR 63 Cb 0.31 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1pkl h THR 63 CO -0.01 0.29 0.06 0.40 0.37 0.00 0.00 175.52 176.63 1pkl h ILE 64 N 0.54 0.96 -0.57 3.11 2.04 -0.73 -0.48 117.51 122.38 1pkl h ILE 64 Ca 0.13 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.83 1pkl h ILE 64 Cb 0.34 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1pkl h ILE 64 CO 0.00 0.02 -0.07 0.78 0.00 0.00 0.00 178.15 178.88 1pkl h ASN 65 N 0.13 1.05 0.26 1.72 2.35 -0.92 -2.35 115.58 117.82 1pkl h ASN 65 Ca 0.07 -0.33 -0.14 0.00 -0.55 0.00 0.00 56.30 55.34 1pkl h ASN 65 Cb 0.04 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1pkl h ASN 65 CO -0.07 1.14 -0.55 0.78 -1.65 0.00 0.00 177.43 177.08 1pkl h ASN 66 N 0.95 0.35 -0.07 5.81 2.35 -0.76 -1.49 115.58 122.71 1pkl h ASN 66 Ca 0.15 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1pkl h ASN 66 Cb 0.64 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1pkl h ASN 66 CO 0.04 0.83 -0.03 0.58 -1.65 0.00 0.00 177.43 177.20 1pkl h VAL 67 N 0.24 1.32 -0.82 2.81 2.07 -1.04 0.23 116.25 121.06 1pkl h VAL 67 Ca 0.00 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1pkl h VAL 67 Cb 1.04 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 1pkl h VAL 67 CO 0.09 0.28 0.54 0.03 0.02 0.00 0.00 177.57 178.54 1pkl h ARG 68 N -0.23 1.07 -0.23 1.57 3.08 -1.38 -0.53 114.38 117.73 1pkl h ARG 68 Ca 0.02 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1pkl h ARG 68 Cb 0.47 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1pkl h ARG 68 CO 0.01 0.71 -0.01 0.37 -1.07 0.00 0.00 179.97 179.98 1pkl h GLN 69 N 1.11 0.41 -0.62 0.04 5.75 -1.23 -0.35 115.11 120.22 1pkl h GLN 69 Ca 0.30 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1pkl h GLN 69 Cb -0.12 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1pkl h GLN 69 CO -0.07 0.61 0.28 0.00 -2.65 0.00 0.00 178.83 176.99 1pkl h ALA 70 N 0.79 0.80 -0.32 3.38 0.00 -0.68 -1.52 119.26 121.71 1pkl h ALA 70 Ca 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1pkl h ALA 70 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pkl h ALA 70 CO 0.01 0.39 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 1pkl h ALA 71 N 1.11 0.43 -0.62 0.00 0.00 -1.07 -2.33 119.26 116.78 1pkl h ALA 71 Ca 0.21 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1pkl h ALA 71 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1pkl h ALA 71 CO -0.02 0.22 0.38 0.00 0.00 0.00 0.00 179.25 179.83 1pkl h ALA 72 N 0.83 0.81 -0.17 0.00 0.00 -0.91 0.77 119.26 120.59 1pkl h ALA 72 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1pkl h ALA 72 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1pkl h ALA 72 CO 0.02 0.13 -0.13 0.93 0.00 0.00 0.00 179.25 180.20 1pkl h GLU 73 N 0.76 0.27 -0.01 0.00 5.08 -1.16 -2.20 114.58 117.32 1pkl h GLU 73 Ca 0.25 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1pkl h GLU 73 Cb 0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1pkl h GLU 73 CO -0.10 0.41 -0.30 1.28 -1.00 0.00 0.00 179.01 179.29 1pkl n LEU 74 N -4.26 1.51 -1.07 1.33 4.77 -0.89 -4.98 117.00 113.41 1pkl n LEU 74 Ca -0.01 -0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 55.39 1pkl n LEU 74 Cb 0.28 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1pkl n LEU 74 CO 0.38 0.28 -0.12 0.61 -1.33 0.00 0.00 177.39 177.21 1pkl n GLY 75 N 1.36 0.12 3.75 -0.72 0.00 0.16 -5.04 105.19 104.81 1pkl n GLY 75 Ca 0.12 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.47 1.26 -0.20 1.61 -7.23 -0.61 -5.02 120.40 107.74 1pkl s VAL 76 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1pkl s VAL 76 Cb 0.00 -2.26 0.03 0.00 0.56 0.00 0.00 36.38 34.71 1pkl s VAL 76 CO 0.00 0.00 -0.16 0.20 -0.31 0.00 0.00 175.10 174.83 1pkl s ASN 77 N -3.86 3.54 -0.11 4.85 0.01 -1.26 -4.38 114.94 113.74 1pkl s ASN 77 Ca 0.09 -0.79 0.02 0.00 -0.71 0.00 0.00 52.86 51.48 1pkl s ASN 77 Cb 0.03 -1.52 -0.01 0.00 0.41 0.00 0.00 41.25 40.15 1pkl s ASN 77 CO 0.05 -0.05 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.78 1pkl s ILE 78 N 1.27 2.60 0.47 0.60 -1.09 -1.26 -4.78 121.20 119.01 1pkl s ILE 78 Ca 0.02 -0.84 -0.21 0.00 -2.23 0.00 0.00 60.65 57.40 1pkl s ILE 78 Cb -0.15 -2.04 -0.09 0.00 -1.58 0.00 0.00 42.46 38.61 1pkl s ILE 78 CO -0.10 0.55 1.04 0.00 -1.23 0.00 0.00 174.94 175.20 1pkl s ALA 79 N 0.20 2.90 -0.15 9.38 0.00 -0.84 -4.91 121.76 128.35 1pkl s ALA 79 Ca -0.11 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1pkl s ALA 79 Cb -0.16 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1pkl s ALA 79 CO 0.06 -0.30 -0.21 0.42 0.00 0.00 0.00 175.76 175.73 1pkl s ILE 80 N -1.93 2.02 -0.06 0.00 1.01 -1.26 -1.02 121.20 119.95 1pkl s ILE 80 Ca 0.66 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1pkl s ILE 80 Cb -0.17 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 1pkl s ILE 80 CO 0.21 0.54 -0.18 0.00 0.00 0.00 0.00 174.94 175.51 1pkl s ALA 81 N 1.00 2.49 -0.37 9.38 0.00 -0.47 -1.21 121.76 132.59 1pkl s ALA 81 Ca -0.03 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 1pkl s ALA 81 Cb -0.15 -0.90 0.05 0.00 0.00 0.00 0.00 23.12 22.12 1pkl s ALA 81 CO -0.06 0.47 0.17 -1.17 0.00 0.00 0.00 175.76 175.17 1pkl s LEU 82 N -0.40 4.65 -0.41 0.00 0.20 -0.75 -0.54 118.68 121.42 1pkl s LEU 82 Ca 0.04 -1.22 -0.21 0.00 0.69 0.00 0.00 54.13 53.43 1pkl s LEU 82 Cb -0.12 -1.93 0.02 0.00 -0.43 0.00 0.00 46.19 43.72 1pkl s LEU 82 CO 0.02 -0.40 0.67 -0.62 -0.29 0.00 0.00 176.35 175.73 1pkl s ASP 83 N 1.62 6.38 0.55 3.68 -1.08 0.35 -1.36 116.67 126.82 1pkl s ASP 83 Ca 0.01 -0.10 -0.21 0.00 -0.52 0.00 0.00 52.55 51.73 1pkl s ASP 83 Cb -0.20 -2.34 -0.05 0.00 -1.46 0.00 0.00 42.92 38.87 1pkl s ASP 83 CO 0.03 -0.74 1.29 -0.89 0.52 0.00 0.00 175.17 175.38 1pkl s THR 84 N 2.87 2.37 0.11 1.71 2.01 -0.63 -0.67 115.64 123.41 1pkl s THR 84 Ca 0.25 0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.44 1pkl s THR 84 Cb -0.14 -3.12 -0.20 0.00 0.01 0.00 0.00 72.50 69.05 1pkl s THR 84 CO 0.18 -0.02 1.27 0.50 -0.69 0.00 0.00 174.62 175.87 1pkl h LYS 85 N 1.35 0.49 -0.75 4.92 3.64 -1.90 -3.39 116.57 120.92 1pkl h LYS 85 Ca -0.51 -0.53 0.08 0.00 -1.27 0.00 0.00 60.65 58.43 1pkl h LYS 85 Cb 1.29 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 33.23 1pkl h LYS 85 CO 0.57 1.17 -0.23 0.41 -2.27 0.00 0.00 179.45 179.09 1pkl n GLY 86 N 0.98 -2.36 3.53 5.01 0.00 -1.26 -4.88 105.19 106.21 1pkl n GLY 86 Ca -0.08 -1.39 -0.46 0.00 0.00 0.00 0.00 46.02 44.08 1pkl n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pkl n PRO 87 N -2.76 0.93 -4.37 1.61 -0.04 -1.26 -4.89 135.00 124.22 1pkl n PRO 87 Ca -0.01 0.33 -0.24 0.00 -0.04 0.00 0.00 63.50 63.54 1pkl n PRO 87 Cb 0.15 -1.62 -0.11 0.00 -0.04 0.00 0.00 33.50 31.88 1pkl n PRO 87 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1pkl s GLU 88 N -1.19 1.38 -0.12 0.54 0.41 -1.26 -5.08 118.70 113.38 1pkl s GLU 88 Ca 0.63 -1.46 -0.01 0.00 -0.41 0.00 0.00 54.97 53.71 1pkl s GLU 88 Cb -0.80 -1.52 0.03 0.00 -1.78 0.00 0.00 34.13 30.06 1pkl s GLU 88 CO 0.58 0.32 -0.03 0.42 -0.49 0.00 0.00 175.26 176.05 1pkl s ILE 89 N -1.94 0.73 0.04 -1.63 1.01 -1.26 -5.00 121.20 113.15 1pkl s ILE 89 Ca 0.18 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1pkl s ILE 89 Cb -0.06 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1pkl s ILE 89 CO 0.08 0.22 -0.05 0.00 0.00 0.00 0.00 174.94 175.19 1pkl s ARG 90 N 1.82 0.47 1.10 2.79 1.70 -1.26 0.84 118.95 126.40 1pkl s ARG 90 Ca 0.04 -0.80 -0.13 0.00 -0.47 0.00 0.00 55.73 54.37 1pkl s ARG 90 Cb -0.13 -0.06 0.24 0.00 -0.57 0.00 0.00 34.95 34.43 1pkl s ARG 90 CO -0.07 -0.02 1.06 0.95 -1.08 0.00 0.00 175.30 176.14 1pkl s THR 91 N -1.89 2.01 0.00 4.99 -4.23 -0.94 -2.18 115.64 113.40 1pkl s THR 91 Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1pkl s THR 91 Cb -0.07 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1pkl s THR 91 CO -0.02 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1pkl n GLY 92 N -0.12 0.28 3.95 3.99 0.00 -0.71 -3.90 105.19 108.68 1pkl n GLY 92 Ca 0.04 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 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 1.09 2.57 0.18 1.61 -0.21 -1.08 -2.34 119.66 121.48 1pkl s GLN 93 Ca 0.00 -0.49 0.08 0.00 0.02 0.00 0.00 55.36 54.97 1pkl s GLN 93 Cb 0.00 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 1pkl s GLN 93 CO 0.00 -0.80 -0.17 -0.06 -2.12 0.00 0.00 175.29 172.14 1pkl s PHE 94 N -2.90 1.77 -0.34 0.91 0.08 -1.26 -2.66 117.98 113.57 1pkl s PHE 94 Ca 0.56 -0.51 -0.29 0.00 0.12 0.00 0.00 56.93 56.82 1pkl s PHE 94 Cb -0.10 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 1pkl s PHE 94 CO 0.41 0.34 1.24 0.08 -0.10 0.00 0.00 175.22 177.19 1pkl s VAL 95 N -2.42 4.21 0.00 -0.44 1.01 0.64 -1.78 120.40 121.62 1pkl s VAL 95 Ca 0.18 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1pkl s VAL 95 Cb -0.04 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1pkl s VAL 95 CO 0.07 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1pkl n GLY 96 N 4.37 0.75 2.31 4.51 0.00 -1.26 -4.16 105.19 111.72 1pkl n GLY 96 Ca 0.14 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.44 0.15 3.38 -0.02 0.00 -0.74 -4.92 105.19 100.60 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 -2.09 -0.38 -0.29 1.61 2.15 -1.26 -3.91 116.67 112.49 1pkl s ASP 98 Ca 0.00 -0.20 0.06 0.00 0.43 0.00 0.00 52.55 52.84 1pkl s ASP 98 Cb 0.00 0.54 0.20 0.00 -0.30 0.00 0.00 42.92 43.36 1pkl s ASP 98 CO 0.00 -0.93 0.58 0.00 -0.17 0.00 0.00 175.17 174.65 1pkl s ALA 99 N -3.79 -2.31 -0.69 3.66 0.00 -0.77 -4.44 121.76 113.41 1pkl s ALA 99 Ca 0.03 1.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 1pkl s ALA 99 Cb 0.00 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1pkl s ALA 99 CO -0.11 -1.81 1.47 0.08 0.00 0.00 0.00 175.76 175.39 1pkl s VAL 100 N 2.81 3.60 0.21 0.00 1.01 -1.26 -2.59 120.40 124.18 1pkl s VAL 100 Ca 0.10 0.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 1pkl s VAL 100 Cb -0.10 -4.59 -0.09 0.00 0.00 0.00 0.00 36.38 31.60 1pkl s VAL 100 CO -0.26 -1.53 0.84 -0.04 0.00 0.00 0.00 175.10 174.10 1pkl s MET 101 N 6.17 4.61 0.05 2.72 -1.94 -0.85 -4.93 119.30 125.12 1pkl s MET 101 Ca 0.46 1.23 0.03 0.00 -1.71 0.00 0.00 55.69 55.70 1pkl s MET 101 Cb -0.10 -3.15 -0.03 0.00 2.01 0.00 0.00 34.83 33.57 1pkl s MET 101 CO 0.17 0.50 -0.10 -1.21 -0.01 0.00 0.00 175.02 174.37 1pkl s GLU 102 N -1.39 0.63 0.24 2.03 2.02 -1.26 -1.78 118.70 119.19 1pkl s GLU 102 Ca 0.40 -0.85 -0.29 0.00 0.02 0.00 0.00 54.97 54.25 1pkl s GLU 102 Cb -0.22 -0.44 -0.15 0.00 0.10 0.00 0.00 34.13 33.41 1pkl s GLU 102 CO 0.27 0.08 0.86 -2.13 0.02 0.00 0.00 175.26 174.36 1pkl n ARG 103 N 1.30 0.84 0.00 1.61 0.63 -1.26 -1.63 116.66 118.15 1pkl n ARG 103 Ca -0.22 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1pkl n ARG 103 Cb 0.55 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.91 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 1.57 1.21 1.51 5.14 0.00 -0.34 -4.96 105.19 109.32 1pkl n GLY 104 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1pkl n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl n ALA 105 N 0.00 -1.85 -2.61 4.61 0.00 -0.65 -4.22 120.51 115.80 1pkl n ALA 105 Ca 0.00 0.22 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 1pkl n ALA 105 Cb 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 1pkl n ALA 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pkl s THR 106 N -0.25 5.10 0.32 0.00 2.01 -1.26 -1.14 115.64 120.43 1pkl s THR 106 Ca 0.33 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 62.06 1pkl s THR 106 Cb -0.47 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 1pkl s THR 106 CO 0.25 -0.05 -0.07 0.00 -0.69 0.00 0.00 174.62 174.07 1pkl s TYR 108 N -2.80 2.31 -0.16 0.00 2.02 0.10 -0.89 117.35 117.93 1pkl s TYR 108 Ca 0.32 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1pkl s TYR 108 Cb 0.04 -1.36 0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1pkl s TYR 108 CO 0.15 0.16 -0.12 0.08 -1.57 0.00 0.00 175.55 174.25 1pkl s VAL 109 N -0.85 1.51 -0.01 0.71 1.01 -0.52 -2.24 120.40 120.01 1pkl s VAL 109 Ca 0.12 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1pkl s VAL 109 Cb -0.10 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1pkl s VAL 109 CO 0.03 0.34 -0.16 0.28 0.00 0.00 0.00 175.10 175.58 1pkl s THR 110 N 1.49 2.91 -1.41 3.92 -1.32 -0.00 -1.49 115.64 119.73 1pkl s THR 110 Ca 0.03 -0.93 0.29 0.00 -1.21 0.00 0.00 61.69 59.88 1pkl s THR 110 Cb -0.14 -2.17 0.43 0.00 -1.51 0.00 0.00 72.50 69.12 1pkl s THR 110 CO -0.10 0.49 1.94 0.41 -2.21 0.00 0.00 174.62 175.15 1pkl n THR 111 N 2.01 0.00 -1.99 5.08 -1.04 0.25 -2.98 114.28 115.61 1pkl n THR 111 Ca -0.17 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 1pkl n THR 111 Cb 0.52 -0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 68.68 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 -2.63 6.18 0.66 8.00 2.15 -1.26 -4.90 116.67 124.87 1pkl s ASP 112 Ca 0.25 1.69 0.39 0.00 0.43 0.00 0.00 52.55 55.32 1pkl s ASP 112 Cb 0.20 -2.53 2.16 0.00 -0.30 0.00 0.00 42.92 42.45 1pkl s ASP 112 CO 0.49 -1.41 2.23 -0.65 -0.17 0.00 0.00 175.17 175.66 1pkl h PRO 113 N 11.65 0.00 0.00 4.34 0.11 -1.98 -2.60 132.00 143.53 1pkl h PRO 113 Ca -0.36 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 1pkl h PRO 113 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1pkl h PRO 113 CO 1.00 0.00 -0.20 0.00 -0.21 0.00 0.00 178.00 178.59 1pkl h ALA 114 N 1.80 1.21 -0.36 -0.75 0.00 -1.98 -2.88 119.26 116.30 1pkl h ALA 114 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pkl h ALA 114 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 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 -3.62 1.18 1.39 0.00 3.01 -0.98 -4.26 117.46 114.18 1pkl n PHE 115 Ca -0.01 -0.42 0.12 0.00 1.01 0.00 0.00 57.45 58.14 1pkl n PHE 115 Cb 0.33 -0.31 0.67 0.00 -0.01 0.00 0.00 39.48 40.16 1pkl n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pkl n ALA 116 N 0.43 2.33 -0.10 4.37 0.00 -1.09 -3.18 120.51 123.28 1pkl n ALA 116 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pkl n ALA 116 Cb 0.77 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1pkl n ALA 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pkl n ASP 117 N -1.05 0.00 -1.77 0.00 -0.08 -1.26 -2.62 116.55 109.77 1pkl n ASP 117 Ca 0.16 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.32 1pkl n ASP 117 Cb 0.10 0.00 0.16 0.00 2.34 0.00 0.00 41.12 43.72 1pkl n ASP 117 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1pkl n LYS 118 N 0.00 2.29 -2.35 -0.67 5.02 -1.19 -4.33 118.16 116.94 1pkl n LYS 118 Ca 0.00 -2.12 -0.41 0.00 -2.02 0.00 0.00 58.31 53.76 1pkl n LYS 118 Cb 0.00 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 1pkl n LYS 118 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pkl s GLY 119 N -0.59 2.73 0.20 0.72 0.00 -1.09 -4.84 107.32 104.45 1pkl s GLY 119 Ca 0.39 0.99 -0.02 0.00 0.00 0.00 0.00 44.72 46.09 1pkl s GLY 119 CO 0.08 1.84 0.14 -0.51 0.00 0.00 0.00 173.10 174.66 1pkl s THR 120 N -0.28 0.00 0.07 0.90 -4.23 -0.55 -0.26 115.64 111.29 1pkl s THR 120 Ca 0.52 -1.97 0.32 0.00 -1.18 0.00 0.00 61.69 59.38 1pkl s THR 120 Cb -0.34 -2.47 0.33 0.00 1.34 0.00 0.00 72.50 71.36 1pkl s THR 120 CO 0.39 -0.02 1.95 0.07 -0.54 0.00 0.00 174.62 176.48 1pkl h LYS 121 N 2.61 0.00 0.16 3.99 2.10 -1.91 -2.55 116.57 120.97 1pkl h LYS 121 Ca -0.35 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.96 1pkl h LYS 121 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1pkl h LYS 121 CO 0.52 0.00 -1.64 -0.44 -2.00 0.00 0.00 179.45 175.90 1pkl h ASP 122 N 0.00 0.53 -2.80 7.07 3.32 -1.92 -3.44 116.42 119.18 1pkl h ASP 122 Ca 0.00 -0.75 0.01 0.00 0.02 0.00 0.00 57.03 56.31 1pkl h ASP 122 Cb 0.18 -0.17 -0.22 0.00 0.22 0.00 0.00 39.33 39.34 1pkl h ASP 122 CO 0.00 1.63 -0.07 -0.75 -1.72 0.00 0.00 179.24 178.33 1pkl s LYS 123 N -2.60 0.62 0.22 3.56 2.20 -0.96 -0.72 119.74 122.06 1pkl s LYS 123 Ca -0.12 1.21 -0.04 0.00 -0.36 0.00 0.00 55.97 56.66 1pkl s LYS 123 Cb 0.06 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1pkl s LYS 123 CO 0.86 -0.17 0.22 -0.59 -0.36 0.00 0.00 175.35 175.32 1pkl s PHE 124 N 1.91 0.99 0.34 4.03 -0.71 -0.95 -1.49 117.98 122.11 1pkl s PHE 124 Ca -0.09 -1.23 -0.02 0.00 -1.04 0.00 0.00 56.93 54.55 1pkl s PHE 124 Cb -0.07 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 1pkl s PHE 124 CO -0.18 -0.74 0.57 -0.47 -1.34 0.00 0.00 175.22 173.06 1pkl s TYR 125 N -4.08 3.50 -0.20 3.49 5.04 -1.25 -0.82 117.35 123.03 1pkl s TYR 125 Ca 0.35 0.49 -0.04 0.00 -2.44 0.00 0.00 57.07 55.43 1pkl s TYR 125 Cb 0.05 -2.00 0.10 0.00 0.35 0.00 0.00 41.96 40.46 1pkl s TYR 125 CO 0.12 0.09 0.30 0.42 -1.34 0.00 0.00 175.55 175.14 1pkl s ILE 126 N -2.29 -0.46 -2.00 3.14 1.01 -1.16 -1.75 121.20 117.69 1pkl s ILE 126 Ca 0.42 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1pkl s ILE 126 Cb -0.10 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.71 1pkl s ILE 126 CO 0.35 -0.08 0.35 -0.90 0.00 0.00 0.00 174.94 174.66 1pkl n ASP 127 N 5.35 0.00 -4.40 3.58 5.68 -0.93 -4.46 116.55 121.36 1pkl n ASP 127 Ca -0.05 -0.02 -0.44 0.00 -0.50 0.00 0.00 54.79 53.77 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 2.97 0.06 2.11 5.04 -1.26 -4.92 117.35 119.35 1pkl s TYR 128 Ca 0.01 -0.97 0.30 0.00 -2.44 0.00 0.00 57.07 53.96 1pkl s TYR 128 Cb 0.00 -4.11 1.56 0.00 0.35 0.00 0.00 41.96 39.76 1pkl s TYR 128 CO 0.00 -1.40 1.90 1.96 -1.34 0.00 0.00 175.55 176.68 1pkl h GLN 129 N 9.16 0.00 0.00 4.97 4.20 -1.92 -2.55 115.11 128.97 1pkl h GLN 129 Ca -0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1pkl h GLN 129 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1pkl h GLN 129 CO 1.10 0.00 -0.95 0.09 -0.67 0.00 0.00 178.83 178.40 1pkl n ASN 130 N -2.55 0.80 0.00 1.46 3.02 -1.26 -4.65 115.26 112.08 1pkl n ASN 130 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1pkl n ASN 130 Cb 0.07 0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -2.52 0.00 0.15 3.41 7.94 -0.96 -1.31 117.00 123.71 1pkl n LEU 131 Ca 0.01 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 1pkl n LEU 131 Cb 0.52 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.39 1pkl n LEU 131 CO 0.39 0.00 0.57 0.28 -1.11 0.00 0.00 177.39 177.53 1pkl h SER 132 N 0.00 -1.28 0.16 1.96 0.02 -1.86 0.14 113.55 112.69 1pkl h SER 132 Ca 0.00 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1pkl h SER 132 Cb 0.00 0.47 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1pkl h SER 132 CO 0.00 -0.52 -0.10 0.07 -1.14 0.00 0.00 176.83 175.14 1pkl h LYS 133 N -0.72 0.00 0.12 3.45 2.10 -1.55 -3.22 116.57 116.75 1pkl h LYS 133 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.40 1pkl h LYS 133 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1pkl h LYS 133 CO -0.21 0.10 -1.28 0.28 -2.00 0.00 0.00 179.45 176.34 1pkl h VAL 134 N 0.00 1.14 -3.36 0.07 2.07 -1.34 -3.46 116.25 111.37 1pkl h VAL 134 Ca -0.00 -2.43 -0.58 0.00 0.82 0.00 0.00 66.70 64.50 1pkl h VAL 134 Cb 0.20 2.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.71 1pkl h VAL 134 CO 0.01 0.70 0.24 -0.69 0.02 0.00 0.00 177.57 177.86 1pkl s VAL 135 N -2.47 4.96 0.47 2.57 1.01 0.45 -4.93 120.40 122.46 1pkl s VAL 135 Ca -0.18 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.24 1pkl s VAL 135 Cb 0.04 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1pkl s VAL 135 CO 0.78 0.08 0.66 -0.13 0.00 0.00 0.00 175.10 176.49 1pkl s ARG 136 N 1.95 2.79 0.15 2.72 0.52 -1.26 -4.86 118.95 120.96 1pkl s ARG 136 Ca 0.34 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 1pkl s ARG 136 Cb -0.16 -2.62 -0.07 0.00 0.52 0.00 0.00 34.95 32.62 1pkl s ARG 136 CO 0.12 -0.41 1.07 -1.25 0.02 0.00 0.00 175.30 174.85 1pkl s PRO 137 N -4.54 4.60 0.00 3.54 0.04 -1.26 -3.18 135.00 134.20 1pkl s PRO 137 Ca 0.53 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1pkl s PRO 137 Cb -0.10 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1pkl s PRO 137 CO 0.36 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.89 1pkl n GLY 138 N 2.19 2.77 3.67 0.56 0.00 0.37 -4.92 105.19 109.85 1pkl n GLY 138 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.05 2.57 0.13 1.61 0.02 -1.19 -4.70 114.94 112.33 1pkl s ASN 139 Ca 0.00 1.19 0.11 0.00 -1.02 0.00 0.00 52.86 53.14 1pkl s ASN 139 Cb 0.00 -1.86 -0.04 0.00 0.02 0.00 0.00 41.25 39.37 1pkl s ASN 139 CO 0.00 -3.17 -0.26 -0.31 0.02 0.00 0.00 177.10 173.38 1pkl s TYR 140 N -2.96 2.33 -0.19 2.20 2.02 -1.26 -0.74 117.35 118.75 1pkl s TYR 140 Ca 0.65 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1pkl s TYR 140 Cb -0.19 -1.25 0.04 0.00 -0.40 0.00 0.00 41.96 40.16 1pkl s TYR 140 CO 0.58 0.35 -0.09 0.42 -1.57 0.00 0.00 175.55 175.24 1pkl s ILE 141 N -1.11 1.46 -0.15 2.71 1.01 0.14 -4.10 121.20 121.17 1pkl s ILE 141 Ca 0.15 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 1pkl s ILE 141 Cb -0.10 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1pkl s ILE 141 CO 0.07 0.17 0.30 -0.31 0.00 0.00 0.00 174.94 175.16 1pkl s TYR 142 N 1.48 3.48 0.01 3.97 2.02 -0.14 -0.52 117.35 127.64 1pkl s TYR 142 Ca -0.00 0.61 0.05 0.00 -0.37 0.00 0.00 57.07 57.36 1pkl s TYR 142 Cb -0.16 -2.33 -0.02 0.00 -0.40 0.00 0.00 41.96 39.06 1pkl s TYR 142 CO -0.08 0.27 -0.15 0.42 -1.57 0.00 0.00 175.55 174.44 1pkl s ILE 143 N 0.36 1.20 -0.37 2.71 1.01 0.34 0.56 121.20 127.01 1pkl s ILE 143 Ca 0.17 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1pkl s ILE 143 Cb -0.13 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1pkl s ILE 143 CO 0.04 0.24 0.34 -0.67 0.00 0.00 0.00 174.94 174.89 1pkl n ASP 144 N 2.44 -4.42 0.00 3.58 2.03 0.28 -1.50 116.55 118.96 1pkl n ASP 144 Ca -0.15 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.04 1pkl n ASP 144 Cb 0.55 -2.82 0.00 0.00 -0.72 0.00 0.00 41.12 38.13 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 -1.60 -3.76 0.00 1.67 2.03 -1.25 -1.54 116.55 112.09 1pkl n ASP 145 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1pkl n ASP 145 Cb 0.52 -2.85 0.00 0.00 -0.72 0.00 0.00 41.12 38.07 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 -0.30 0.85 0.10 0.27 0.00 -1.24 -5.01 105.19 99.85 1pkl n GLY 146 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 1.42 -3.40 -0.61 2.04 -1.22 -3.43 117.51 112.30 1pkl h ILE 147 Ca 0.00 -1.43 -0.59 0.00 1.00 0.00 0.00 64.86 63.85 1pkl h ILE 147 Cb 0.00 2.22 -0.09 0.00 -0.74 0.00 0.00 36.82 38.21 1pkl h ILE 147 CO 0.00 0.40 0.03 -0.22 0.00 0.00 0.00 178.15 178.36 1pkl s LEU 148 N -8.98 4.19 -0.10 1.44 2.96 -0.56 -4.97 118.68 112.66 1pkl s LEU 148 Ca -0.15 0.84 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1pkl s LEU 148 Cb 0.03 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 1pkl s LEU 148 CO 0.72 -0.18 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.74 1pkl s ILE 149 N 1.45 2.44 -0.07 6.68 1.01 -1.26 -0.50 121.20 130.95 1pkl s ILE 149 Ca 0.28 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1pkl s ILE 149 Cb -0.16 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1pkl s ILE 149 CO 0.11 0.55 -0.17 -0.76 0.00 0.00 0.00 174.94 174.68 1pkl s LEU 150 N 0.16 1.84 -0.28 2.97 1.43 0.32 -2.50 118.68 122.62 1pkl s LEU 150 Ca -0.11 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 1pkl s LEU 150 Cb -0.16 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1pkl s LEU 150 CO 0.06 0.10 0.30 -1.58 0.23 0.00 0.00 176.35 175.47 1pkl s GLN 151 N 0.40 3.93 0.33 1.70 0.74 -1.00 0.28 119.66 126.03 1pkl s GLN 151 Ca -0.13 -0.16 -0.27 0.00 0.05 0.00 0.00 55.36 54.85 1pkl s GLN 151 Cb -0.15 -3.68 -0.09 0.00 1.10 0.00 0.00 33.01 30.19 1pkl s GLN 151 CO 0.05 -0.27 1.07 0.08 -0.55 0.00 0.00 175.29 175.66 1pkl s VAL 152 N 1.94 3.61 0.00 1.34 1.01 0.08 -1.94 120.40 126.44 1pkl s VAL 152 Ca 0.11 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1pkl s VAL 152 Cb -0.16 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1pkl s VAL 152 CO 0.11 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.43 1pkl n GLN 153 N 0.68 2.59 -3.83 2.72 6.02 -0.69 0.14 117.38 125.01 1pkl n GLN 153 Ca 0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.94 1pkl n GLN 153 Cb 0.47 -0.68 -0.01 0.00 1.02 0.00 0.00 30.24 31.04 1pkl n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1pkl s SER 154 N -1.24 -0.19 -0.31 1.08 1.04 -1.21 -4.73 113.70 108.13 1pkl s SER 154 Ca 0.00 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 55.72 1pkl s SER 154 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1pkl s SER 154 CO 0.00 -1.26 0.12 -1.00 0.98 0.00 0.00 173.24 172.07 1pkl s HIS 155 N -3.47 3.17 -0.01 5.02 3.76 -1.26 -1.15 115.29 121.34 1pkl s HIS 155 Ca 0.12 -0.83 -0.23 0.00 -0.15 0.00 0.00 55.06 53.98 1pkl s HIS 155 Cb -0.05 -2.31 -0.19 0.00 1.11 0.00 0.00 32.58 31.14 1pkl s HIS 155 CO 0.06 -0.54 1.19 0.93 -0.85 0.00 0.00 174.74 175.54 1pkl h GLU 156 N 8.29 0.21 0.00 1.40 4.39 -1.43 -3.48 114.58 123.97 1pkl h GLU 156 Ca -0.31 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 1pkl h GLU 156 Cb 1.13 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1pkl h GLU 156 CO 0.61 0.77 0.21 -0.40 -1.16 0.00 0.00 179.01 179.05 1pkl n ASP 157 N -4.59 -1.59 0.00 1.42 5.68 -1.20 -4.96 116.55 111.32 1pkl n ASP 157 Ca -0.08 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 1pkl n ASP 157 Cb 0.40 2.64 0.00 0.00 -1.14 0.00 0.00 41.12 43.02 1pkl n ASP 157 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1pkl n GLU 158 N -0.38 0.00 0.00 0.11 0.28 -1.26 -2.14 120.64 117.24 1pkl n GLU 158 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1pkl n GLU 158 Cb 0.42 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.92 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 -0.64 4.55 -4.36 3.44 6.02 -1.26 -4.87 117.38 120.26 1pkl n GLN 159 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1pkl n GLN 159 Cb 0.00 -0.41 -0.10 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 -0.09 3.41 -0.01 5.09 2.01 -0.91 -0.58 115.64 124.56 1pkl s THR 160 Ca 0.00 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 60.98 1pkl s THR 160 Cb 0.00 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.96 1pkl s THR 160 CO 0.00 0.24 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.22 1pkl s LEU 161 N -1.84 2.04 -0.25 4.42 1.43 -0.56 -1.04 118.68 122.88 1pkl s LEU 161 Ca 0.19 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 1pkl s LEU 161 Cb -0.11 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 1pkl s LEU 161 CO 0.11 0.23 0.41 -0.70 0.23 0.00 0.00 176.35 176.63 1pkl s GLU 162 N -0.44 4.07 0.21 1.70 2.12 -0.30 -1.43 118.70 124.63 1pkl s GLU 162 Ca 0.07 0.14 0.08 0.00 0.36 0.00 0.00 54.97 55.62 1pkl s GLU 162 Cb -0.07 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 1pkl s GLU 162 CO -0.01 -0.22 -0.14 0.00 -0.54 0.00 0.00 175.26 174.35 1pkl s THR 164 N -2.97 3.43 -0.56 0.00 2.01 -0.82 -1.52 115.64 115.23 1pkl s THR 164 Ca 0.23 -0.55 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 1pkl s THR 164 Cb -0.00 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 70.10 1pkl s THR 164 CO 0.08 0.54 1.09 -0.69 -0.69 0.00 0.00 174.62 174.95 1pkl s VAL 165 N -0.09 4.17 -0.63 3.82 1.01 -0.29 -2.38 120.40 126.01 1pkl s VAL 165 Ca -0.00 0.71 0.25 0.00 0.00 0.00 0.00 61.98 62.94 1pkl s VAL 165 Cb -0.13 -4.64 0.27 0.00 0.00 0.00 0.00 36.38 31.88 1pkl s VAL 165 CO 0.03 -1.22 1.76 0.35 0.00 0.00 0.00 175.10 176.02 1pkl n THR 166 N 6.51 0.68 -3.67 3.92 -2.24 -1.04 -1.19 114.28 117.25 1pkl n THR 166 Ca 0.06 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 1pkl n THR 166 Cb 0.48 -0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 67.84 1pkl n THR 166 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pkl s ASN 167 N -4.45 -0.50 0.13 3.42 4.22 -1.26 -4.81 114.94 111.69 1pkl s ASN 167 Ca 0.08 0.79 -0.30 0.00 -2.14 0.00 0.00 52.86 51.29 1pkl s ASN 167 Cb 0.11 0.81 -0.07 0.00 1.28 0.00 0.00 41.25 43.38 1pkl s ASN 167 CO 0.52 -0.33 1.26 -0.44 -2.04 0.00 0.00 177.10 176.07 1pkl s SER 168 N -0.38 6.99 -0.29 3.54 0.01 -1.26 -4.46 113.70 117.85 1pkl s SER 168 Ca -0.05 2.22 -0.22 0.00 1.31 0.00 0.00 55.95 59.21 1pkl s SER 168 Cb -0.03 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.75 1pkl s SER 168 CO 0.04 -0.50 1.11 -2.28 0.41 0.00 0.00 173.24 172.02 1pkl s HIS 169 N 0.59 -0.40 -0.16 2.43 5.04 -0.73 -4.97 115.29 117.09 1pkl s HIS 169 Ca 0.58 0.89 -0.14 0.00 -1.54 0.00 0.00 55.06 54.85 1pkl s HIS 169 Cb -0.33 0.36 -0.05 0.00 0.04 0.00 0.00 32.58 32.60 1pkl s HIS 169 CO 0.33 -0.19 0.32 0.99 -2.34 0.00 0.00 174.74 173.84 1pkl s THR 170 N 0.57 5.29 -0.04 0.89 2.01 -1.26 -2.02 115.64 121.08 1pkl s THR 170 Ca -0.00 0.59 0.07 0.00 0.31 0.00 0.00 61.69 62.66 1pkl s THR 170 Cb -0.04 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1pkl s THR 170 CO -0.11 0.37 -0.25 0.27 -0.69 0.00 0.00 174.62 174.21 1pkl s ILE 171 N 0.58 2.02 0.00 1.82 -4.36 -1.07 -4.99 121.20 115.20 1pkl s ILE 171 Ca 0.17 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.50 1pkl s ILE 171 Cb -0.13 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.88 1pkl s ILE 171 CO 0.05 0.57 0.00 -1.54 0.24 0.00 0.00 174.94 174.25 1pkl n SER 172 N 2.74 0.00 -4.67 4.36 3.41 -1.26 -1.85 113.62 116.34 1pkl n SER 172 Ca -0.17 -0.61 -0.37 0.00 -0.26 0.00 0.00 58.87 57.46 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 -1.82 1.48 -2.97 4.04 8.00 -1.25 -4.28 116.55 119.75 1pkl n ASP 173 Ca 0.00 0.83 -0.06 0.00 0.71 0.00 0.00 54.79 56.27 1pkl n ASP 173 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 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 -1.39 -0.43 -3.88 -1.24 1.74 -0.99 -4.94 116.66 105.52 1pkl n ARG 174 Ca 0.14 0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.92 1pkl n ARG 174 Cb 0.47 -0.33 -0.05 0.00 -1.02 0.00 0.00 32.46 31.53 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 -3.18 3.45 0.39 5.56 0.52 -1.26 -4.68 118.95 119.75 1pkl s ARG 175 Ca 0.02 -0.21 -0.27 0.00 -0.52 0.00 0.00 55.73 54.76 1pkl s ARG 175 Cb -0.01 -3.15 -0.11 0.00 0.52 0.00 0.00 34.95 32.20 1pkl s ARG 175 CO 0.19 0.73 1.29 0.41 0.02 0.00 0.00 175.30 177.94 1pkl n GLY 176 N 1.50 0.61 3.32 -3.53 0.00 -1.26 -2.23 105.19 103.60 1pkl n GLY 176 Ca -0.16 0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.15 1.93 -0.01 1.61 -7.23 0.25 -0.56 120.40 115.24 1pkl s VAL 177 Ca 0.58 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 1pkl s VAL 177 Cb -0.53 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 1pkl s VAL 177 CO 0.60 0.13 -0.19 0.20 -0.31 0.00 0.00 175.10 175.53 1pkl s ASN 178 N -1.63 2.28 -0.69 4.85 0.01 0.19 -4.49 114.94 115.46 1pkl s ASN 178 Ca 0.10 -0.36 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 1pkl s ASN 178 Cb -0.10 -0.25 0.17 0.00 0.41 0.00 0.00 41.25 41.48 1pkl s ASN 178 CO 0.04 0.23 0.49 -0.76 -1.51 0.00 0.00 177.10 175.59 1pkl s LEU 179 N -0.51 4.90 0.25 0.60 1.02 -1.26 -0.97 118.68 122.71 1pkl s LEU 179 Ca 0.07 -3.54 -0.31 0.00 0.02 0.00 0.00 54.13 50.38 1pkl s LEU 179 Cb -0.08 -1.72 -0.13 0.00 0.02 0.00 0.00 46.19 44.29 1pkl s LEU 179 CO -0.01 -0.17 1.43 -2.65 0.02 0.00 0.00 176.35 174.98 1pkl n PRO 180 N 2.45 2.15 -0.83 1.29 -0.02 -1.26 -2.15 135.00 136.65 1pkl n PRO 180 Ca 0.15 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1pkl n PRO 180 Cb 0.35 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 2.09 0.44 3.73 -1.23 0.00 -1.26 -4.71 105.19 104.25 1pkl n GLY 181 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 0.38 4.95 0.71 0.00 1.11 -1.26 -4.94 116.67 117.62 1pkl s ASP 183 Ca 0.15 0.03 -0.11 0.00 0.18 0.00 0.00 52.55 52.80 1pkl s ASP 183 Cb -0.13 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.34 1pkl s ASP 183 CO 0.03 -2.75 1.10 -0.69 1.18 0.00 0.00 175.17 174.04 1pkl s VAL 184 N 10.52 3.42 -0.05 -1.27 1.01 -1.26 -5.00 120.40 127.77 1pkl s VAL 184 Ca 0.75 0.45 0.11 0.00 0.00 0.00 0.00 61.98 63.29 1pkl s VAL 184 Cb -0.11 -3.45 0.20 0.00 0.00 0.00 0.00 36.38 33.01 1pkl s VAL 184 CO 0.12 -0.60 1.09 -0.67 0.00 0.00 0.00 175.10 175.05 1pkl n ASP 185 N -3.01 0.96 -4.75 3.32 2.03 -1.26 -5.09 116.55 108.75 1pkl n ASP 185 Ca 0.07 -2.47 -0.37 0.00 0.52 0.00 0.00 54.79 52.54 1pkl n ASP 185 Cb 0.57 -0.31 0.04 0.00 -0.72 0.00 0.00 41.12 40.71 1pkl n ASP 185 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1pkl s LEU 186 N -1.06 3.68 0.82 -2.67 1.43 -1.26 -4.97 118.68 114.65 1pkl s LEU 186 Ca 0.18 2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 55.70 1pkl s LEU 186 Cb 0.18 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.95 1pkl s LEU 186 CO -0.03 -1.70 1.12 -2.16 0.23 0.00 0.00 176.35 173.80 1pkl s PRO 187 N -3.25 1.77 0.00 1.29 0.04 -1.26 -5.00 135.00 128.58 1pkl s PRO 187 Ca 0.78 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1pkl s PRO 187 Cb -0.34 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1pkl s PRO 187 CO 0.38 -2.04 0.91 0.00 0.04 0.00 0.00 177.00 176.28 1pkl n ALA 188 N -3.76 -0.33 -2.68 8.56 0.00 -1.26 -4.53 120.51 116.52 1pkl n ALA 188 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.18 1pkl n ALA 188 Cb 0.52 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.96 1pkl n ALA 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pkl s VAL 189 N -2.62 5.30 0.91 0.00 -7.23 -1.26 -4.39 120.40 111.11 1pkl s VAL 189 Ca 0.00 0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 60.21 1pkl s VAL 189 Cb 0.00 -3.47 0.19 0.00 0.56 0.00 0.00 36.38 33.66 1pkl s VAL 189 CO 0.00 0.35 1.25 -0.94 -0.31 0.00 0.00 175.10 175.45 1pkl s SER 190 N 1.06 3.35 0.09 4.85 1.04 -1.26 -4.89 113.70 117.94 1pkl s SER 190 Ca 0.07 0.08 -0.27 0.00 0.48 0.00 0.00 55.95 56.31 1pkl s SER 190 Cb -0.14 -0.18 -0.16 0.00 0.10 0.00 0.00 66.02 65.65 1pkl s SER 190 CO 0.04 -2.56 1.69 0.00 0.98 0.00 0.00 173.24 173.39 1pkl h ALA 191 N -1.40 -0.38 -0.20 5.32 0.00 -1.98 -2.33 119.26 118.29 1pkl h ALA 191 Ca -0.42 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1pkl h ALA 191 Cb 1.24 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1pkl h ALA 191 CO 0.37 -0.72 -0.13 -0.22 0.00 0.00 0.00 179.25 178.55 1pkl h LYS 192 N -0.39 -0.13 -0.85 0.00 3.64 -1.98 -2.15 116.57 114.71 1pkl h LYS 192 Ca -0.03 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.52 1pkl h LYS 192 Cb 0.32 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.06 1pkl h LYS 192 CO 0.04 -0.08 0.42 -0.44 -2.27 0.00 0.00 179.45 177.11 1pkl h ASP 193 N -0.13 0.47 -1.00 4.20 3.32 -1.89 0.06 116.42 121.44 1pkl h ASP 193 Ca 0.12 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1pkl h ASP 193 Cb 0.30 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 1pkl h ASP 193 CO -0.28 0.17 0.65 -0.09 -1.72 0.00 0.00 179.24 177.97 1pkl h ARG 194 N 0.57 1.19 -0.05 3.56 2.43 -0.83 0.29 114.38 121.53 1pkl h ARG 194 Ca 0.48 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 1pkl h ARG 194 Cb 0.72 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1pkl h ARG 194 CO -0.40 0.79 -0.09 0.28 -1.51 0.00 0.00 179.97 179.04 1pkl h VAL 195 N 1.22 1.42 -0.77 0.20 2.07 -0.91 -2.98 116.25 116.49 1pkl h VAL 195 Ca 0.42 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1pkl h VAL 195 Cb 0.08 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1pkl h VAL 195 CO -0.15 0.38 0.29 0.44 0.02 0.00 0.00 177.57 178.56 1pkl h ASP 196 N -0.36 1.08 -0.04 0.57 3.32 -0.64 -2.53 116.42 117.82 1pkl h ASP 196 Ca 0.00 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1pkl h ASP 196 Cb 0.67 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1pkl h ASP 196 CO 0.02 0.97 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.24 1pkl h LEU 197 N 1.13 0.40 -0.25 1.55 3.38 -0.52 -0.20 115.31 120.80 1pkl h LEU 197 Ca 0.26 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1pkl h LEU 197 Cb 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pkl h LEU 197 CO -0.02 0.61 -0.22 -0.61 0.09 0.00 0.00 178.44 178.29 1pkl h GLN 198 N 0.37 0.60 -0.61 1.13 4.15 -1.35 -1.47 115.11 117.93 1pkl h GLN 198 Ca 0.06 -0.30 0.06 0.00 0.77 0.00 0.00 58.65 59.24 1pkl h GLN 198 Cb 0.56 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.20 1pkl h GLN 198 CO 0.04 0.90 0.31 0.35 -1.93 0.00 0.00 178.83 178.49 1pkl h PHE 199 N 0.31 0.55 -0.84 3.99 3.57 -1.16 0.12 116.94 123.49 1pkl h PHE 199 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1pkl h PHE 199 Cb 0.77 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1pkl h PHE 199 CO 0.07 0.24 0.55 0.78 -2.23 0.00 0.00 178.31 177.73 1pkl h GLY 200 N 0.56 1.19 0.87 2.40 0.00 -0.81 -0.55 103.07 106.73 1pkl h GLY 200 Ca 0.28 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1pkl h GLY 200 CO -0.21 0.44 -0.09 -2.08 0.00 0.00 0.00 176.54 174.60 1pkl h VAL 201 N 1.14 1.29 -0.39 4.60 2.07 0.04 -1.44 116.25 123.55 1pkl h VAL 201 Ca 0.31 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1pkl h VAL 201 Cb -0.13 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1pkl h VAL 201 CO -0.07 0.36 0.14 -0.33 0.02 0.00 0.00 177.57 177.70 1pkl h GLU 202 N 0.28 0.56 -0.01 1.57 5.08 -0.29 -2.03 114.58 119.73 1pkl h GLU 202 Ca 0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pkl h GLU 202 Cb 0.58 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1pkl h GLU 202 CO 0.03 0.48 -0.13 1.04 -1.00 0.00 0.00 179.01 179.42 1pkl n GLN 203 N -4.37 1.17 -3.20 2.33 1.13 -0.26 -4.98 117.38 109.20 1pkl n GLN 203 Ca 0.03 -0.65 -0.15 0.00 -1.94 0.00 0.00 57.00 54.28 1pkl n GLN 203 Cb 0.15 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.07 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 1.26 -0.10 3.73 1.08 0.00 -0.62 -5.01 105.19 105.53 1pkl n GLY 204 Ca 0.15 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.23 2.66 -0.03 1.61 -7.23 -0.76 -4.96 120.40 108.46 1pkl s VAL 205 Ca 0.30 0.27 0.12 0.00 -1.81 0.00 0.00 61.98 60.86 1pkl s VAL 205 Cb -0.13 -2.66 -0.21 0.00 0.56 0.00 0.00 36.38 33.93 1pkl s VAL 205 CO 0.51 -0.23 0.78 0.44 -0.31 0.00 0.00 175.10 176.28 1pkl h ASP 206 N -0.85 0.00 -5.04 4.85 3.32 -1.52 -3.46 116.42 113.72 1pkl h ASP 206 Ca -0.45 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1pkl h ASP 206 Cb 1.26 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.68 1pkl h ASP 206 CO 0.49 0.95 0.02 0.00 -1.72 0.00 0.00 179.24 178.98 1pkl s MET 207 N -2.65 1.11 -0.08 3.56 0.23 -1.14 -2.17 119.30 118.16 1pkl s MET 207 Ca -0.04 -0.54 0.03 0.00 -1.03 0.00 0.00 55.69 54.11 1pkl s MET 207 Cb 0.08 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.86 1pkl s MET 207 CO 0.82 -0.44 -0.17 0.42 -2.03 0.00 0.00 175.02 173.62 1pkl s ILE 208 N -3.48 2.78 -0.69 3.16 -1.09 0.46 -1.81 121.20 120.53 1pkl s ILE 208 Ca 0.01 -0.80 -0.10 0.00 -2.23 0.00 0.00 60.65 57.52 1pkl s ILE 208 Cb 0.01 -2.10 0.18 0.00 -1.58 0.00 0.00 42.46 38.97 1pkl s ILE 208 CO -0.10 0.56 0.59 -0.36 -1.23 0.00 0.00 174.94 174.40 1pkl s PHE 209 N -0.23 3.57 -0.27 3.97 0.08 -0.46 -0.09 117.98 124.54 1pkl s PHE 209 Ca 0.00 -2.12 -0.29 0.00 0.12 0.00 0.00 56.93 54.64 1pkl s PHE 209 Cb -0.13 -3.59 -0.01 0.00 -0.57 0.00 0.00 43.02 38.72 1pkl s PHE 209 CO 0.03 -0.95 1.39 0.00 -0.10 0.00 0.00 175.22 175.59 1pkl s ALA 210 N 0.41 3.36 0.43 5.36 0.00 0.01 -1.61 121.76 129.71 1pkl s ALA 210 Ca 0.14 0.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 1pkl s ALA 210 Cb -0.17 -3.79 -0.08 0.00 0.00 0.00 0.00 23.12 19.08 1pkl s ALA 210 CO -0.05 -1.79 1.08 -1.12 0.00 0.00 0.00 175.76 173.88 1pkl s SER 211 N 3.15 6.55 -1.46 0.00 0.01 -1.26 -0.92 113.70 119.77 1pkl s SER 211 Ca 0.60 2.09 -0.02 0.00 1.31 0.00 0.00 55.95 59.93 1pkl s SER 211 Cb -0.19 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.47 1pkl s SER 211 CO 0.24 -0.64 0.42 0.49 0.41 0.00 0.00 173.24 174.17 1pkl n PHE 212 N -0.29 -1.62 -2.49 2.43 3.72 -1.24 -4.77 117.46 113.20 1pkl n PHE 212 Ca 0.06 0.74 -0.42 0.00 -0.05 0.00 0.00 57.45 57.78 1pkl n PHE 212 Cb 0.50 -3.55 -0.03 0.00 -0.94 0.00 0.00 39.48 35.46 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 -3.92 4.30 -0.03 4.37 -1.09 -1.10 -4.91 121.20 118.82 1pkl s ILE 213 Ca 0.10 1.63 0.08 0.00 -2.23 0.00 0.00 60.65 60.23 1pkl s ILE 213 Cb -0.05 -4.05 -0.13 0.00 -1.58 0.00 0.00 42.46 36.65 1pkl s ILE 213 CO 0.90 0.05 0.19 0.54 -1.23 0.00 0.00 174.94 175.39 1pkl n ARG 214 N 4.73 0.40 -3.71 2.79 1.74 -1.26 -4.22 116.66 117.13 1pkl n ARG 214 Ca 0.10 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 1pkl n ARG 214 Cb 0.47 -1.18 -0.05 0.00 -1.02 0.00 0.00 32.46 30.68 1pkl n ARG 214 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1pkl s SER 215 N -2.90 -0.20 0.30 0.55 1.04 -1.26 -4.35 113.70 106.87 1pkl s SER 215 Ca -0.03 -0.44 0.24 0.00 0.48 0.00 0.00 55.95 56.20 1pkl s SER 215 Cb 0.05 0.50 1.09 0.00 0.10 0.00 0.00 66.02 67.76 1pkl s SER 215 CO 0.34 -0.92 1.72 0.00 0.98 0.00 0.00 173.24 175.36 1pkl h ALA 216 N 2.34 1.00 0.06 5.32 0.00 -1.87 -2.05 119.26 124.06 1pkl h ALA 216 Ca -0.32 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 1pkl h ALA 216 Cb 1.25 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.07 1pkl h ALA 216 CO 0.44 0.00 -0.98 1.49 0.00 0.00 0.00 179.25 180.20 1pkl h GLU 217 N 0.00 0.56 -0.56 0.00 4.81 -1.95 -3.27 114.58 114.17 1pkl h GLU 217 Ca 0.00 -0.68 0.07 0.00 -0.13 0.00 0.00 59.36 58.62 1pkl h GLU 217 Cb 0.26 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1pkl h GLU 217 CO 0.00 1.28 0.37 1.96 -0.73 0.00 0.00 179.01 181.89 1pkl h GLN 218 N 0.14 0.44 -0.64 1.92 4.20 -1.78 -0.38 115.11 119.01 1pkl h GLN 218 Ca -0.14 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 1pkl h GLN 218 Cb 1.67 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.32 1pkl h GLN 218 CO 0.19 0.29 0.22 0.28 -0.67 0.00 0.00 178.83 179.14 1pkl h VAL 219 N 0.45 1.24 -0.14 -0.54 2.07 -1.60 -2.10 116.25 115.64 1pkl h VAL 219 Ca 0.25 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1pkl h VAL 219 Cb 0.38 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1pkl h VAL 219 CO -0.07 0.31 0.04 1.23 0.02 0.00 0.00 177.57 179.11 1pkl h GLY 220 N 0.91 0.20 1.47 2.17 0.00 -1.15 -1.01 103.07 105.68 1pkl h GLY 220 Ca 0.21 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 1pkl h GLY 220 CO -0.01 0.08 -0.37 -0.55 0.00 0.00 0.00 176.54 175.69 1pkl h ASP 221 N 0.19 0.61 -0.33 0.19 3.32 -1.01 -1.71 116.42 117.70 1pkl h ASP 221 Ca 0.05 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.68 1pkl h ASP 221 Cb 0.06 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1pkl h ASP 221 CO -0.00 0.93 -0.42 0.58 -1.72 0.00 0.00 179.24 178.60 1pkl h VAL 222 N 0.49 1.28 -0.21 -1.35 2.07 -0.86 -1.14 116.25 116.54 1pkl h VAL 222 Ca 0.05 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 1pkl h VAL 222 Cb 0.86 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1pkl h VAL 222 CO 0.07 0.53 -0.09 -0.09 0.02 0.00 0.00 177.57 178.01 1pkl h ARG 223 N 0.65 0.32 -0.11 1.57 2.43 -1.06 -1.84 114.38 116.34 1pkl h ARG 223 Ca 0.04 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 1pkl h ARG 223 Cb 1.02 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1pkl h ARG 223 CO 0.10 0.43 -0.66 -0.22 -1.51 0.00 0.00 179.97 178.10 1pkl h LYS 224 N 0.31 0.65 0.00 0.20 3.64 -1.14 -2.95 116.57 117.28 1pkl h LYS 224 Ca 0.06 -0.55 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1pkl h LYS 224 Cb 0.36 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1pkl h LYS 224 CO 0.02 1.16 -0.11 0.00 -2.27 0.00 0.00 179.45 178.26 1pkl h ALA 225 N 0.49 1.53 0.00 5.00 0.00 -0.74 -0.45 119.26 125.09 1pkl h ALA 225 Ca -0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1pkl h ALA 225 Cb 1.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1pkl h ALA 225 CO 0.14 0.13 -0.56 -0.07 0.00 0.00 0.00 179.25 178.89 1pkl h LEU 226 N 0.00 0.00 0.00 0.00 3.38 -1.33 -3.41 115.31 113.95 1pkl h LEU 226 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1pkl h LEU 226 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1pkl h LEU 226 CO 0.01 0.56 -0.14 0.61 0.09 0.00 0.00 178.44 179.57 1pkl n GLY 227 N 1.20 -1.95 0.20 0.83 0.00 -0.18 -3.53 105.19 101.77 1pkl n GLY 227 Ca 0.02 -1.33 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 -1.87 -2.87 132.00 129.00 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 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1pkl h PRO 228 CO 0.00 0.33 0.00 1.63 -0.23 0.00 0.00 178.00 179.73 1pkl n LYS 229 N -3.98 0.02 -1.63 0.86 5.02 -1.26 -3.42 118.16 113.77 1pkl n LYS 229 Ca -0.02 0.10 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 1pkl n LYS 229 Cb 0.39 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.89 5.48 0.00 0.72 0.00 -1.08 -4.77 105.19 106.43 1pkl n GLY 230 Ca 0.06 -2.07 0.13 0.00 0.00 0.00 0.00 46.02 44.15 1pkl n GLY 230 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pkl n ARG 231 N -0.78 0.24 0.00 1.61 1.85 -1.22 -2.89 116.66 115.46 1pkl n ARG 231 Ca 0.32 0.03 0.08 0.00 -1.00 0.00 0.00 57.85 57.28 1pkl n ARG 231 Cb 0.88 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.84 1pkl n ARG 231 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1pkl n ASP 232 N -1.37 2.17 -4.73 2.89 8.00 -1.26 -4.95 116.55 117.29 1pkl n ASP 232 Ca 0.11 -1.59 -0.41 0.00 0.71 0.00 0.00 54.79 53.61 1pkl n ASP 232 Cb 0.26 0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.62 4.57 0.32 0.53 1.01 -1.14 -5.00 121.20 119.87 1pkl s ILE 233 Ca 0.18 1.93 -0.22 0.00 0.00 0.00 0.00 60.65 62.54 1pkl s ILE 233 Cb 0.14 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 1pkl s ILE 233 CO 0.29 0.33 0.87 -0.04 0.00 0.00 0.00 174.94 176.39 1pkl s MET 234 N -0.03 4.37 -0.36 2.79 -1.94 -0.92 -4.92 119.30 118.29 1pkl s MET 234 Ca 0.44 1.10 -0.03 0.00 -1.71 0.00 0.00 55.69 55.49 1pkl s MET 234 Cb -0.22 -2.66 0.08 0.00 2.01 0.00 0.00 34.83 34.03 1pkl s MET 234 CO 0.28 0.24 0.13 0.42 -0.01 0.00 0.00 175.02 176.07 1pkl s ILE 235 N -1.74 3.31 -0.35 2.53 1.01 -1.26 -0.40 121.20 124.30 1pkl s ILE 235 Ca 0.51 -1.68 -0.17 0.00 0.00 0.00 0.00 60.65 59.31 1pkl s ILE 235 Cb -0.15 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1pkl s ILE 235 CO 0.20 -0.42 0.45 -0.63 0.00 0.00 0.00 174.94 174.54 1pkl s ILE 236 N 1.23 5.08 -0.19 2.92 -1.09 0.87 -1.24 121.20 128.78 1pkl s ILE 236 Ca 0.02 0.20 -0.26 0.00 -2.23 0.00 0.00 60.65 58.38 1pkl s ILE 236 Cb -0.21 -3.91 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1pkl s ILE 236 CO -0.02 -0.17 0.89 0.00 -1.23 0.00 0.00 174.94 174.41 1pkl s LYS 238 N 2.53 3.94 -0.50 0.00 1.02 -0.10 -0.99 119.74 125.64 1pkl s LYS 238 Ca 0.40 0.78 -0.21 0.00 0.02 0.00 0.00 55.97 56.95 1pkl s LYS 238 Cb -0.16 -3.77 0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1pkl s LYS 238 CO 0.10 -0.92 0.74 0.42 -0.92 0.00 0.00 175.35 174.78 1pkl s ILE 239 N 3.53 4.69 -0.15 2.17 -1.09 -0.57 -2.71 121.20 127.07 1pkl s ILE 239 Ca 0.41 -0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.79 1pkl s ILE 239 Cb -0.12 -4.36 0.02 0.00 -1.58 0.00 0.00 42.46 36.42 1pkl s ILE 239 CO 0.17 -0.85 0.71 -0.62 -1.23 0.00 0.00 174.94 173.12 1pkl n GLU 240 N 6.64 0.48 -3.97 2.79 1.02 -1.26 -3.04 120.64 123.30 1pkl n GLU 240 Ca -0.02 -0.92 -0.11 0.00 -0.02 0.00 0.00 57.16 56.09 1pkl n GLU 240 Cb 0.47 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.41 0.33 0.44 1.62 2.20 -1.26 -3.22 114.94 114.63 1pkl s ASN 241 Ca 0.02 -1.19 0.09 0.00 -0.94 0.00 0.00 52.86 50.84 1pkl s ASN 241 Cb 0.01 0.70 0.96 0.00 -2.00 0.00 0.00 41.25 40.92 1pkl s ASN 241 CO 0.02 -1.36 2.08 1.12 -2.94 0.00 0.00 177.10 176.01 1pkl h HIS 242 N 2.11 0.38 -0.37 1.54 2.07 -1.97 -2.53 115.15 116.38 1pkl h HIS 242 Ca -0.28 0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.19 1pkl h HIS 242 Cb 1.25 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 31.08 1pkl h HIS 242 CO 1.09 0.25 0.00 1.96 -3.07 0.00 0.00 177.93 178.16 1pkl h GLN 243 N 0.41 0.66 -0.90 5.12 4.20 -1.94 0.59 115.11 123.26 1pkl h GLN 243 Ca 0.11 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1pkl h GLN 243 Cb -0.03 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1pkl h GLN 243 CO -0.02 0.76 0.59 0.78 -0.67 0.00 0.00 178.83 180.27 1pkl h GLY 244 N 0.48 1.26 1.14 3.46 0.00 -1.63 0.13 103.07 107.92 1pkl h GLY 244 Ca 0.11 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 1pkl h GLY 244 CO 0.02 0.45 -0.45 -2.08 0.00 0.00 0.00 176.54 174.48 1pkl h VAL 245 N 1.20 1.27 -0.17 4.60 2.07 -1.16 -1.77 116.25 122.29 1pkl h VAL 245 Ca 0.33 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 1pkl h VAL 245 Cb -0.12 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1pkl h VAL 245 CO -0.08 0.54 -0.01 1.56 0.02 0.00 0.00 177.57 179.60 1pkl h GLN 246 N 0.74 0.31 -0.74 1.57 4.20 -0.07 -3.02 115.11 118.11 1pkl h GLN 246 Ca 0.04 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1pkl h GLN 246 Cb 1.05 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1pkl h GLN 246 CO 0.11 0.54 0.00 0.09 -0.67 0.00 0.00 178.83 178.89 1pkl n ASN 247 N -4.71 3.26 -0.30 1.46 3.02 0.39 -4.55 115.26 113.83 1pkl n ASN 247 Ca -0.05 -2.42 0.10 0.00 -0.03 0.00 0.00 54.58 52.19 1pkl n ASN 247 Cb 0.23 -0.56 0.27 0.00 -0.61 0.00 0.00 39.78 39.12 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 2.06 0.61 -0.17 2.41 6.09 -1.18 -1.84 117.51 125.50 1pkl h ILE 248 Ca 0.00 -0.18 0.03 0.00 -1.37 0.00 0.00 64.86 63.34 1pkl h ILE 248 Cb 1.17 0.03 -0.03 0.00 0.47 0.00 0.00 36.82 38.46 1pkl h ILE 248 CO 0.22 0.10 -0.01 0.44 -3.07 0.00 0.00 178.15 175.84 1pkl h ASP 249 N 0.53 -0.08 -0.41 2.19 3.32 -1.86 -0.12 116.42 119.99 1pkl h ASP 249 Ca 0.52 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.52 1pkl h ASP 249 Cb 0.87 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1pkl h ASP 249 CO -0.44 -0.02 -0.06 0.77 -1.72 0.00 0.00 179.24 177.77 1pkl h SER 250 N 0.05 0.83 -0.28 6.45 4.64 -1.79 -2.36 113.55 121.08 1pkl h SER 250 Ca 0.08 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1pkl h SER 250 Cb 0.10 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1pkl h SER 250 CO -0.14 0.93 -0.01 0.40 -0.87 0.00 0.00 176.83 177.13 1pkl h ILE 251 N 0.77 1.26 -0.89 0.95 2.04 -0.99 -2.71 117.51 117.95 1pkl h ILE 251 Ca 0.14 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1pkl h ILE 251 Cb 0.55 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1pkl h ILE 251 CO 0.03 0.31 0.57 0.40 0.00 0.00 0.00 178.15 179.46 1pkl h ILE 252 N 0.29 1.24 -0.62 -0.67 2.04 -1.00 -0.61 117.51 118.19 1pkl h ILE 252 Ca 0.08 -0.47 0.07 0.00 1.00 0.00 0.00 64.86 65.54 1pkl h ILE 252 Cb 0.45 -0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 1pkl h ILE 252 CO 0.02 0.24 0.30 -0.08 0.00 0.00 0.00 178.15 178.62 1pkl h GLU 253 N 1.22 0.53 0.15 2.37 4.57 -1.21 -3.17 114.58 119.04 1pkl h GLU 253 Ca 0.32 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 58.15 1pkl h GLU 253 Cb -0.10 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.37 1pkl h GLU 253 CO -0.07 0.35 -1.60 0.93 -1.18 0.00 0.00 179.01 177.45 1pkl h GLU 254 N 0.55 0.31 -7.48 1.92 4.39 -1.19 -3.48 114.58 109.60 1pkl h GLU 254 Ca 0.29 -0.53 -0.44 0.00 0.34 0.00 0.00 59.36 59.02 1pkl h GLU 254 Cb 0.26 0.20 0.17 0.00 -0.10 0.00 0.00 28.75 29.27 1pkl h GLU 254 CO -0.22 1.19 0.23 -1.54 -1.16 0.00 0.00 179.01 177.51 1pkl s SER 255 N -7.11 2.21 0.00 1.42 1.04 -0.26 -4.99 113.70 106.01 1pkl s SER 255 Ca -0.11 0.76 0.16 0.00 0.48 0.00 0.00 55.95 57.23 1pkl s SER 255 Cb 0.06 -1.14 0.21 0.00 0.10 0.00 0.00 66.02 65.26 1pkl s SER 255 CO 0.86 -3.34 1.10 0.47 0.98 0.00 0.00 173.24 173.31 1pkl n ASP 256 N -4.26 2.60 0.00 7.02 8.00 -0.37 -4.93 116.55 124.61 1pkl n ASP 256 Ca 0.10 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1pkl n ASP 256 Cb 0.59 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.90 0.07 3.09 0.44 0.00 -1.22 -4.13 105.19 104.34 1pkl n GLY 257 Ca 0.11 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.12 -0.61 -1.09 -0.61 -1.07 121.20 116.36 1pkl s ILE 258 Ca 0.00 -1.24 0.02 0.00 -2.23 0.00 0.00 60.65 57.20 1pkl s ILE 258 Cb 0.00 -0.83 0.01 0.00 -1.58 0.00 0.00 42.46 40.06 1pkl s ILE 258 CO 0.00 -0.43 -0.16 -0.32 -1.23 0.00 0.00 174.94 172.80 1pkl s MET 259 N -1.94 2.32 -0.72 2.79 -2.45 -0.17 -1.26 119.30 117.87 1pkl s MET 259 Ca -0.06 -0.59 -0.21 0.00 -1.25 0.00 0.00 55.69 53.58 1pkl s MET 259 Cb -0.08 -1.97 0.09 0.00 1.25 0.00 0.00 34.83 34.13 1pkl s MET 259 CO -0.00 -0.07 0.96 0.08 1.05 0.00 0.00 175.02 177.03 1pkl s VAL 260 N 1.01 4.54 -1.14 10.11 1.01 0.42 -1.51 120.40 134.84 1pkl s VAL 260 Ca -0.06 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1pkl s VAL 260 Cb -0.15 -4.67 0.09 0.00 0.00 0.00 0.00 36.38 31.65 1pkl s VAL 260 CO -0.02 -1.41 1.52 0.00 0.00 0.00 0.00 175.10 175.19 1pkl s ALA 261 N 3.39 3.22 0.13 5.51 0.00 -1.17 -1.54 121.76 131.31 1pkl s ALA 261 Ca 0.23 -2.74 -0.25 0.00 0.00 0.00 0.00 51.96 49.20 1pkl s ALA 261 Cb -0.15 -4.46 -0.02 0.00 0.00 0.00 0.00 23.12 18.50 1pkl s ALA 261 CO 0.04 -3.29 1.63 0.00 0.00 0.00 0.00 175.76 174.14 1pkl h ARG 262 N 8.43 -0.34 -0.90 0.00 -0.00 -1.86 -1.15 114.38 118.57 1pkl h ARG 262 Ca 0.31 0.02 0.08 0.00 -0.50 0.00 0.00 59.98 59.90 1pkl h ARG 262 Cb 0.94 0.08 -0.06 0.00 0.00 0.00 0.00 29.97 30.92 1pkl h ARG 262 CO 1.37 -0.22 0.58 0.78 0.00 0.00 0.00 179.97 182.48 1pkl h GLY 263 N -0.35 1.30 1.13 0.04 0.00 -1.89 0.26 103.07 103.57 1pkl h GLY 263 Ca 0.09 -0.38 -0.22 0.00 0.00 0.00 0.00 47.33 46.82 1pkl h GLY 263 CO -0.31 0.24 -0.76 -0.55 0.00 0.00 0.00 176.54 175.16 1pkl h ASP 264 N 0.94 0.91 -0.11 0.19 3.32 -1.80 -2.96 116.42 116.90 1pkl h ASP 264 Ca 0.40 -0.64 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 1pkl h ASP 264 Cb 0.33 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1pkl h ASP 264 CO -0.17 1.40 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.60 1pkl h LEU 265 N 0.48 0.39 -0.44 1.55 3.38 -0.81 -2.51 115.31 117.34 1pkl h LEU 265 Ca -0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pkl h LEU 265 Cb 1.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1pkl h LEU 265 CO 0.16 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1pkl n GLY 266 N -0.82 -1.10 0.32 0.83 0.00 0.89 -2.08 105.19 103.24 1pkl n GLY 266 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1pkl n GLY 266 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pkl h VAL 267 N 0.00 1.26 -0.00 1.61 2.07 -1.40 -3.33 116.25 116.46 1pkl h VAL 267 Ca 0.00 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1pkl h VAL 267 Cb 0.27 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1pkl h VAL 267 CO 0.00 0.35 -0.05 -1.84 0.02 0.00 0.00 177.57 176.05 1pkl n GLU 268 N -4.28 1.77 -4.88 1.57 0.28 -1.16 -4.95 120.64 108.99 1pkl n GLU 268 Ca 0.05 -0.46 -0.30 0.00 -0.16 0.00 0.00 57.16 56.30 1pkl n GLU 268 Cb 0.23 -0.92 -0.17 0.00 1.43 0.00 0.00 31.44 32.02 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 -0.64 1.76 0.25 3.84 1.01 -0.88 -4.75 121.20 121.79 1pkl s ILE 269 Ca 0.03 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 1pkl s ILE 269 Cb 0.03 -1.55 -0.14 0.00 0.01 0.00 0.00 42.46 40.81 1pkl s ILE 269 CO 0.07 0.49 1.19 -2.65 0.00 0.00 0.00 174.94 174.04 1pkl n PRO 270 N 3.77 1.58 -0.30 2.79 -0.02 -1.26 -4.34 135.00 137.22 1pkl n PRO 270 Ca -0.20 0.56 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 1pkl n PRO 270 Cb 0.52 -2.06 0.19 0.00 -0.02 0.00 0.00 33.50 32.14 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 2.98 0.87 -0.06 3.55 0.00 -1.96 0.14 119.26 124.78 1pkl h ALA 271 Ca -0.43 0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pkl h ALA 271 Cb 1.32 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1pkl h ALA 271 CO 0.67 -0.46 0.05 1.05 0.00 0.00 0.00 179.25 180.55 1pkl h GLU 272 N 0.05 0.00 0.09 0.00 9.09 -2.01 -1.37 114.58 120.44 1pkl h GLU 272 Ca 0.48 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.62 1pkl h GLU 272 Cb 0.88 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.97 1pkl h GLU 272 CO -0.81 0.00 -1.28 0.87 0.05 0.00 0.00 179.01 177.84 1pkl h LYS 273 N 0.00 0.19 -0.55 1.06 1.57 -1.07 -3.14 116.57 114.63 1pkl h LYS 273 Ca 0.03 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1pkl h LYS 273 Cb 0.12 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1pkl h LYS 273 CO -0.00 1.11 0.37 0.28 -0.57 0.00 0.00 179.45 180.64 1pkl h VAL 274 N 0.05 1.07 -0.10 0.50 2.07 -0.64 0.42 116.25 119.62 1pkl h VAL 274 Ca -0.14 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1pkl h VAL 274 Cb 1.94 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1pkl h VAL 274 CO 0.17 0.12 0.06 0.58 0.02 0.00 0.00 177.57 178.51 1pkl h VAL 275 N 0.64 1.08 -0.36 2.57 2.07 -1.39 0.42 116.25 121.26 1pkl h VAL 275 Ca 0.22 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 1pkl h VAL 275 Cb 0.09 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1pkl h VAL 275 CO -0.06 0.07 -0.18 0.58 0.02 0.00 0.00 177.57 178.00 1pkl h VAL 276 N 0.08 1.26 -0.76 2.57 2.07 -1.06 -2.66 116.25 117.75 1pkl h VAL 276 Ca 0.04 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 1pkl h VAL 276 Cb 0.06 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1pkl h VAL 276 CO -0.01 0.41 0.29 0.00 0.02 0.00 0.00 177.57 178.28 1pkl h ALA 277 N 1.20 1.08 -0.63 1.67 0.00 0.10 -1.87 119.26 120.81 1pkl h ALA 277 Ca 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1pkl h ALA 277 Cb 0.64 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1pkl h ALA 277 CO 0.05 0.65 0.39 0.37 0.00 0.00 0.00 179.25 180.70 1pkl h GLN 278 N 1.11 0.73 -0.30 0.00 4.15 -0.58 -0.51 115.11 119.70 1pkl h GLN 278 Ca 0.25 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 1pkl h GLN 278 Cb 0.22 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1pkl h GLN 278 CO -0.02 0.49 0.18 0.87 -1.93 0.00 0.00 178.83 178.42 1pkl h LYS 279 N 0.76 0.41 0.22 1.69 1.57 -1.13 -1.73 116.57 118.37 1pkl h LYS 279 Ca 0.25 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1pkl h LYS 279 Cb 0.03 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1pkl h LYS 279 CO -0.11 0.33 -0.11 0.82 -0.57 0.00 0.00 179.45 179.81 1pkl h ILE 280 N 0.39 0.82 -0.71 1.86 2.04 -1.01 -1.45 117.51 119.46 1pkl h ILE 280 Ca 0.11 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1pkl h ILE 280 Cb 0.02 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1pkl h ILE 280 CO -0.02 0.06 0.41 -0.07 0.00 0.00 0.00 178.15 178.52 1pkl h LEU 281 N -0.43 0.85 -0.13 1.44 3.38 -1.06 -0.55 115.31 118.82 1pkl h LEU 281 Ca -0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1pkl h LEU 281 Cb 0.32 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1pkl h LEU 281 CO 0.05 0.67 -0.08 0.40 0.09 0.00 0.00 178.44 179.57 1pkl h ILE 282 N 0.98 1.33 -0.74 1.22 2.04 -1.24 -2.07 117.51 119.02 1pkl h ILE 282 Ca 0.25 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1pkl h ILE 282 Cb -0.01 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1pkl h ILE 282 CO -0.04 0.33 0.34 0.28 0.00 0.00 0.00 178.15 179.05 1pkl h SER 283 N -0.09 0.98 -0.61 1.72 0.02 -0.93 0.24 113.55 114.87 1pkl h SER 283 Ca 0.03 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1pkl h SER 283 Cb 0.56 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1pkl h SER 283 CO 0.02 0.84 0.09 0.11 -1.14 0.00 0.00 176.83 176.75 1pkl h LYS 284 N 1.06 1.04 -0.37 3.45 1.57 -1.06 -1.37 116.57 120.90 1pkl h LYS 284 Ca 0.26 -0.27 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1pkl h LYS 284 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1pkl h LYS 284 CO -0.03 0.96 -0.32 0.00 -0.57 0.00 0.00 179.45 179.50 1pkl h ASN 286 N 0.68 -0.12 -0.38 0.00 -0.26 -0.64 0.01 115.58 114.87 1pkl h ASN 286 Ca 0.07 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1pkl h ASN 286 Cb 0.86 0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 38.16 1pkl h ASN 286 CO 0.08 -0.05 0.09 0.58 -1.06 0.00 0.00 177.43 177.06 1pkl h VAL 287 N -0.04 1.21 0.00 2.81 2.07 -1.17 -2.44 116.25 118.69 1pkl h VAL 287 Ca 0.04 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 1pkl h VAL 287 Cb 0.09 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1pkl h VAL 287 CO -0.08 0.28 -0.45 0.00 0.02 0.00 0.00 177.57 177.34 1pkl h ALA 288 N 1.43 1.04 0.00 1.67 0.00 -0.91 -3.47 119.26 119.01 1pkl h ALA 288 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1pkl h ALA 288 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pkl h ALA 288 CO 0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1pkl n GLY 289 N 0.14 0.78 3.26 0.00 0.00 -0.06 -5.08 105.19 104.24 1pkl n GLY 289 Ca -0.01 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.98 1.77 0.38 1.61 1.02 -0.91 -4.75 119.74 115.89 1pkl s LYS 290 Ca 0.00 -0.85 -0.27 0.00 0.02 0.00 0.00 55.97 54.87 1pkl s LYS 290 Cb 0.00 -1.76 -0.11 0.00 -0.52 0.00 0.00 37.83 35.44 1pkl s LYS 290 CO 0.00 0.48 1.32 -0.35 -0.92 0.00 0.00 175.35 175.88 1pkl n PRO 291 N 2.37 2.15 -4.48 -1.68 -0.04 -1.26 -4.44 135.00 127.63 1pkl n PRO 291 Ca -0.16 0.76 -0.22 0.00 -0.04 0.00 0.00 63.50 63.84 1pkl n PRO 291 Cb 0.52 -2.42 -0.16 0.00 -0.04 0.00 0.00 33.50 31.41 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 -1.14 0.93 -0.16 0.52 0.11 -1.26 -1.57 120.40 117.83 1pkl s VAL 292 Ca 0.57 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 59.19 1pkl s VAL 292 Cb -0.53 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 1pkl s VAL 292 CO 0.61 0.29 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.97 1pkl s ILE 293 N 0.36 3.48 -0.30 7.04 1.01 -0.39 -1.10 121.20 131.29 1pkl s ILE 293 Ca -0.07 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 59.85 1pkl s ILE 293 Cb -0.11 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1pkl s ILE 293 CO 0.01 0.49 0.79 0.00 0.00 0.00 0.00 174.94 176.23 1pkl n ALA 295 N 6.20 1.62 -2.57 0.00 0.00 -0.59 -1.95 120.51 123.22 1pkl n ALA 295 Ca 0.04 -0.77 -0.22 0.00 0.00 0.00 0.00 53.44 52.49 1pkl n ALA 295 Cb 0.48 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.36 3.41 -1.29 0.00 -4.23 -1.26 -4.54 115.64 105.37 1pkl s THR 296 Ca -0.24 -1.59 -0.12 0.00 -1.18 0.00 0.00 61.69 58.56 1pkl s THR 296 Cb 0.06 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1pkl s THR 296 CO 0.41 -0.23 0.56 0.00 -0.54 0.00 0.00 174.62 174.83 1pkl n GLN 297 N -1.19 -2.09 -3.90 3.99 6.02 -1.26 -4.72 117.38 114.23 1pkl n GLN 297 Ca -0.04 0.37 -0.35 0.00 -0.01 0.00 0.00 57.00 56.97 1pkl n GLN 297 Cb 0.60 -4.10 -0.10 0.00 1.02 0.00 0.00 30.24 27.65 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 -6.49 3.91 -1.22 -1.09 -1.94 -1.26 -4.37 119.30 106.83 1pkl s MET 298 Ca 0.23 -0.37 -0.08 0.00 -1.71 0.00 0.00 55.69 53.77 1pkl s MET 298 Cb -0.09 -3.29 0.06 0.00 2.01 0.00 0.00 34.83 33.51 1pkl s MET 298 CO 0.89 0.12 0.40 1.28 -0.01 0.00 0.00 175.02 177.71 1pkl n LEU 299 N 4.01 -1.48 -0.34 -0.03 4.77 -1.26 -4.84 117.00 117.84 1pkl n LEU 299 Ca -0.16 -0.27 0.15 0.00 -0.03 0.00 0.00 56.01 55.70 1pkl n LEU 299 Cb 0.52 -2.12 0.30 0.00 -2.33 0.00 0.00 43.42 39.79 1pkl n LEU 299 CO 0.34 0.11 0.82 -0.08 -1.33 0.00 0.00 177.39 177.25 1pkl h GLU 300 N -0.81 0.02 0.00 3.23 4.81 -1.96 -1.39 114.58 118.48 1pkl h GLU 300 Ca -0.40 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1pkl h GLU 300 Cb 1.27 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1pkl h GLU 300 CO 0.49 0.01 -0.00 0.66 -0.73 0.00 0.00 179.01 179.44 1pkl h SER 301 N 0.02 0.00 0.00 1.04 4.64 -1.93 -3.14 113.55 114.18 1pkl h SER 301 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1pkl h SER 301 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1pkl h SER 301 CO -0.90 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.29 1pkl n MET 302 N -3.09 0.54 -0.03 4.77 2.81 -0.52 -1.82 117.12 119.77 1pkl n MET 302 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1pkl n MET 302 Cb 0.29 -1.09 0.06 0.00 -0.71 0.00 0.00 33.22 31.77 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 0.00 1.30 0.00 2.03 2.02 -1.74 -3.38 112.91 113.14 1pkl h THR 303 Ca 0.00 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.53 1pkl h THR 303 Cb 0.00 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1pkl h THR 303 CO 0.00 0.52 0.00 -1.22 0.37 0.00 0.00 175.52 175.19 1pkl n TYR 304 N -4.01 0.00 -4.61 3.16 4.01 -1.09 -0.40 117.16 114.22 1pkl n TYR 304 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.38 1pkl n TYR 304 Cb 0.55 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.47 1pkl n TYR 304 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1pkl s ASN 305 N -0.51 4.57 0.34 7.72 0.02 -0.76 -5.00 114.94 121.32 1pkl s ASN 305 Ca 0.00 -0.07 0.26 0.00 -1.02 0.00 0.00 52.86 52.03 1pkl s ASN 305 Cb 0.00 -1.11 1.09 0.00 0.02 0.00 0.00 41.25 41.26 1pkl s ASN 305 CO 0.00 0.34 1.79 1.55 0.02 0.00 0.00 177.10 180.80 1pkl h PRO 306 N 5.05 0.00 -4.91 -0.60 0.13 -1.88 -3.36 132.00 126.43 1pkl h PRO 306 Ca -0.48 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.27 1pkl h PRO 306 Cb 1.17 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 1pkl h PRO 306 CO 0.52 0.00 -0.77 1.03 -0.23 0.00 0.00 178.00 178.55 1pkl s ARG 307 N -3.41 0.73 0.79 0.86 0.52 -1.26 -4.98 118.95 112.19 1pkl s ARG 307 Ca 0.03 -0.64 -0.08 0.00 -0.52 0.00 0.00 55.73 54.53 1pkl s ARG 307 Cb 0.09 -0.66 0.13 0.00 0.52 0.00 0.00 34.95 35.02 1pkl s ARG 307 CO 0.43 0.16 1.11 -1.25 0.02 0.00 0.00 175.30 175.77 1pkl s PRO 308 N -1.03 1.54 0.57 3.54 0.04 -1.26 -4.58 135.00 133.80 1pkl s PRO 308 Ca -0.01 -0.56 -0.04 0.00 0.04 0.00 0.00 61.00 60.42 1pkl s PRO 308 Cb -0.07 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1pkl s PRO 308 CO 0.01 -1.68 0.86 0.95 0.04 0.00 0.00 177.00 177.17 1pkl s THR 309 N -3.42 3.64 0.22 1.26 -4.23 -1.26 -4.96 115.64 106.89 1pkl s THR 309 Ca 0.66 -0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.96 1pkl s THR 309 Cb -0.07 -3.43 0.18 0.00 1.34 0.00 0.00 72.50 70.52 1pkl s THR 309 CO 0.47 -0.41 1.89 -0.09 -0.54 0.00 0.00 174.62 175.94 1pkl h ARG 310 N -0.07 1.06 -0.51 3.99 2.43 -2.00 -2.43 114.38 116.84 1pkl h ARG 310 Ca -0.45 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 1pkl h ARG 310 Cb 1.26 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1pkl h ARG 310 CO 0.60 0.70 0.10 0.00 -1.51 0.00 0.00 179.97 179.86 1pkl h ALA 311 N 1.30 1.22 -0.29 2.80 0.00 -2.00 -2.17 119.26 120.12 1pkl h ALA 311 Ca 0.30 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1pkl h ALA 311 Cb -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1pkl h ALA 311 CO -0.07 0.53 -0.26 0.93 0.00 0.00 0.00 179.25 180.38 1pkl h GLU 312 N 0.76 0.58 -0.14 0.00 5.08 -1.86 -1.19 114.58 117.82 1pkl h GLU 312 Ca 0.17 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1pkl h GLU 312 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1pkl h GLU 312 CO 0.00 0.79 0.03 0.28 -1.00 0.00 0.00 179.01 179.12 1pkl h VAL 313 N 0.51 1.20 -0.28 3.13 2.07 -0.97 -2.43 116.25 119.48 1pkl h VAL 313 Ca 0.07 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1pkl h VAL 313 Cb 0.72 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1pkl h VAL 313 CO 0.06 0.19 -0.07 0.77 0.02 0.00 0.00 177.57 178.54 1pkl h SER 314 N 0.02 0.43 -0.79 0.57 4.64 -1.23 -1.90 113.55 115.29 1pkl h SER 314 Ca 0.04 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1pkl h SER 314 Cb 0.27 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1pkl h SER 314 CO 0.00 0.55 0.44 -0.78 -0.87 0.00 0.00 176.83 176.17 1pkl h ASP 315 N 0.43 0.98 -0.31 4.97 3.58 -1.00 0.10 116.42 125.17 1pkl h ASP 315 Ca 0.09 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 1pkl h ASP 315 Cb 0.39 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1pkl h ASP 315 CO 0.02 0.79 -0.14 0.58 -2.88 0.00 0.00 179.24 177.61 1pkl h VAL 316 N 1.09 1.29 -0.34 2.25 2.07 -0.97 -2.42 116.25 119.22 1pkl h VAL 316 Ca 0.28 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1pkl h VAL 316 Cb 0.02 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1pkl h VAL 316 CO -0.05 0.40 0.17 0.00 0.02 0.00 0.00 177.57 178.11 1pkl h ALA 317 N 0.77 0.43 0.00 1.67 0.00 -1.01 -2.90 119.26 118.22 1pkl h ALA 317 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pkl h ALA 317 Cb 0.66 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1pkl h ALA 317 CO 0.04 -0.02 -0.07 -0.91 0.00 0.00 0.00 179.25 178.29 1pkl h ASN 318 N 0.41 0.00 -0.24 0.00 2.35 -0.76 -0.93 115.58 116.42 1pkl h ASN 318 Ca 0.12 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1pkl h ASN 318 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1pkl h ASN 318 CO -0.02 0.07 -0.30 0.00 -1.65 0.00 0.00 177.43 175.54 1pkl h ALA 319 N 1.93 0.83 -0.19 -0.83 0.00 -1.23 0.19 119.26 119.95 1pkl h ALA 319 Ca -0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1pkl h ALA 319 Cb 0.52 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pkl h ALA 319 CO 0.01 0.64 -0.30 0.28 0.00 0.00 0.00 179.25 179.88 1pkl h VAL 320 N 0.63 1.34 -0.18 0.00 2.07 -1.21 -1.82 116.25 117.08 1pkl h VAL 320 Ca 0.07 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 1pkl h VAL 320 Cb 0.82 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1pkl h VAL 320 CO 0.07 0.46 -0.05 -0.26 0.02 0.00 0.00 177.57 177.81 1pkl h PHE 321 N 0.19 0.27 -0.16 1.57 0.04 -1.00 -1.46 116.94 116.39 1pkl h PHE 321 Ca 0.02 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1pkl h PHE 321 Cb 0.88 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 1pkl h PHE 321 CO 0.09 0.32 -0.22 -0.91 -0.60 0.00 0.00 178.31 176.99 1pkl h ASN 322 N 0.26 0.28 0.00 2.17 -0.26 -0.49 -3.47 115.58 114.07 1pkl h ASN 322 Ca 0.06 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1pkl h ASN 322 Cb 0.26 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1pkl h ASN 322 CO 0.01 0.51 0.00 0.61 -1.06 0.00 0.00 177.43 177.50 1pkl n GLY 323 N -0.60 1.58 3.76 2.83 0.00 -0.55 -4.63 105.19 107.58 1pkl n GLY 323 Ca -0.01 0.00 -0.41 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 2.21 0.01 4.61 0.00 -0.71 -4.92 120.51 121.71 1pkl n ALA 324 Ca 0.00 0.35 -0.18 0.00 0.00 0.00 0.00 53.44 53.61 1pkl n ALA 324 Cb 0.00 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 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 2.93 0.43 -3.85 0.00 5.19 -1.42 -3.45 116.42 116.24 1pkl h ASP 325 Ca -0.50 -0.85 -0.43 0.00 -0.62 0.00 0.00 57.03 54.63 1pkl h ASP 325 Cb 1.25 -0.14 -0.17 0.00 0.18 0.00 0.00 39.33 40.45 1pkl h ASP 325 CO 0.64 1.24 -0.75 0.00 -3.12 0.00 0.00 179.24 177.25 1pkl s VAL 327 N -2.36 1.80 0.16 0.00 -7.23 -0.35 -1.03 120.40 111.39 1pkl s VAL 327 Ca 0.13 -1.28 0.09 0.00 -1.81 0.00 0.00 61.98 59.10 1pkl s VAL 327 Cb -0.04 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 1pkl s VAL 327 CO 0.04 0.22 -0.20 -0.32 -0.31 0.00 0.00 175.10 174.53 1pkl s MET 328 N -1.26 1.30 -0.07 4.82 1.75 -0.82 -1.65 119.30 123.37 1pkl s MET 328 Ca 0.09 -1.39 0.05 0.00 -1.25 0.00 0.00 55.69 53.18 1pkl s MET 328 Cb -0.09 -1.44 -0.00 0.00 2.84 0.00 0.00 34.83 36.13 1pkl s MET 328 CO 0.02 0.30 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.97 1pkl s LEU 329 N -2.54 2.00 0.00 4.11 1.43 -0.17 -4.50 118.68 119.01 1pkl s LEU 329 Ca 0.15 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1pkl s LEU 329 Cb -0.07 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1pkl s LEU 329 CO 0.07 0.18 0.00 -1.20 0.23 0.00 0.00 176.35 175.63 1pkl n SER 330 N 3.22 0.00 0.27 2.29 7.64 -1.26 -1.50 113.62 124.28 1pkl n SER 330 Ca -0.18 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.84 1pkl n SER 330 Cb 0.52 0.00 0.78 0.00 -1.01 0.00 0.00 64.21 64.50 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 1.54 0.23 0.00 -1.96 -0.96 103.07 101.92 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 0.30 0.83 0.00 0.00 0.00 176.54 177.67 1pkl h GLU 332 N 0.00 0.57 0.00 4.80 3.07 -1.90 -0.38 114.58 120.74 1pkl h GLU 332 Ca -0.00 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.36 58.57 1pkl h GLU 332 Cb 0.34 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.07 1pkl h GLU 332 CO 0.01 0.37 -2.02 0.25 -1.40 0.00 0.00 179.01 176.23 1pkl n THR 333 N -4.47 0.94 -0.02 1.13 -2.24 -1.09 -3.54 114.28 104.99 1pkl n THR 333 Ca 0.04 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 61.07 1pkl n THR 333 Cb 0.07 -0.52 -0.10 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 0.83 0.03 0.00 6.98 0.00 -0.83 -3.37 119.26 122.91 1pkl h ALA 334 Ca -0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1pkl h ALA 334 Cb 1.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1pkl h ALA 334 CO 0.02 -0.17 -0.27 1.63 0.00 0.00 0.00 179.25 180.45 1pkl n LYS 335 N -4.78 0.52 -1.69 0.00 5.02 -0.67 -2.26 118.16 114.30 1pkl n LYS 335 Ca -0.08 -1.38 -0.30 0.00 -2.02 0.00 0.00 58.31 54.54 1pkl n LYS 335 Cb 0.29 -0.79 0.09 0.00 -0.02 0.00 0.00 35.03 34.60 1pkl n LYS 335 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pkl s GLY 336 N -1.36 1.61 0.14 0.72 0.00 -0.24 -4.91 107.32 103.28 1pkl s GLY 336 Ca 0.08 -0.38 0.23 0.00 0.00 0.00 0.00 44.72 44.65 1pkl s GLY 336 CO 0.01 0.07 1.00 1.17 0.00 0.00 0.00 173.10 175.34 1pkl n LYS 337 N -3.37 0.52 -3.06 2.90 4.81 0.46 -4.48 118.16 115.94 1pkl n LYS 337 Ca 0.07 0.06 -0.22 0.00 -0.87 0.00 0.00 58.31 57.35 1pkl n LYS 337 Cb 0.58 -1.73 -0.03 0.00 0.02 0.00 0.00 35.03 33.86 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 -2.44 1.95 -0.13 5.64 4.01 -1.26 -4.98 117.16 119.94 1pkl n TYR 338 Ca 0.00 -3.87 -0.05 0.00 -0.16 0.00 0.00 57.90 53.82 1pkl n TYR 338 Cb 0.52 -0.44 0.01 0.00 -0.31 0.00 0.00 39.34 39.12 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 2.98 -0.15 -0.40 -0.72 0.11 -1.79 -1.70 132.00 130.33 1pkl h PRO 339 Ca 0.11 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 1pkl h PRO 339 Cb 0.77 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1pkl h PRO 339 CO 0.65 -0.10 -0.23 -0.91 -0.21 0.00 0.00 178.00 177.20 1pkl h ASN 340 N -0.15 0.90 -0.30 -2.05 2.35 -1.92 -3.11 115.58 111.30 1pkl h ASN 340 Ca 0.21 -0.42 -0.05 0.00 -0.55 0.00 0.00 56.30 55.49 1pkl h ASN 340 Cb 0.48 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1pkl h ASN 340 CO -0.53 1.12 0.03 -0.33 -1.65 0.00 0.00 177.43 176.06 1pkl h GLU 341 N 0.68 0.61 -0.18 0.81 3.07 -1.86 -0.78 114.58 116.93 1pkl h GLU 341 Ca 0.09 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.68 1pkl h GLU 341 Cb 0.79 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1pkl h GLU 341 CO 0.07 0.61 -0.41 0.28 -1.40 0.00 0.00 179.01 178.16 1pkl h VAL 342 N 0.58 1.34 -0.49 3.13 2.07 -1.35 -1.36 116.25 120.17 1pkl h VAL 342 Ca 0.13 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1pkl h VAL 342 Cb 0.32 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1pkl h VAL 342 CO 0.01 0.51 0.24 0.58 0.02 0.00 0.00 177.57 178.93 1pkl h VAL 343 N 0.25 1.19 -0.57 2.57 2.07 -1.44 0.38 116.25 120.70 1pkl h VAL 343 Ca -0.00 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1pkl h VAL 343 Cb 1.01 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1pkl h VAL 343 CO 0.09 0.20 0.31 1.56 0.02 0.00 0.00 177.57 179.75 1pkl h GLN 344 N 0.64 0.79 -0.52 1.57 4.20 -1.13 -0.78 115.11 119.89 1pkl h GLN 344 Ca 0.17 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1pkl h GLN 344 Cb 0.10 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1pkl h GLN 344 CO -0.02 0.61 0.11 -0.92 -0.67 0.00 0.00 178.83 177.94 1pkl h TYR 345 N 0.76 0.89 -0.44 2.96 5.03 -1.03 -1.61 116.97 123.54 1pkl h TYR 345 Ca 0.20 -0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 1pkl h TYR 345 Cb 0.05 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 1pkl h TYR 345 CO -0.01 0.80 0.27 1.98 -1.32 0.00 0.00 178.16 179.87 1pkl h MET 346 N 0.73 0.60 -0.87 1.82 4.05 -0.54 -1.45 114.93 119.27 1pkl h MET 346 Ca 0.16 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 1pkl h MET 346 Cb 0.37 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1pkl h MET 346 CO 0.01 0.44 0.48 0.00 0.23 0.00 0.00 176.91 178.07 1pkl h ALA 347 N 1.12 1.12 -0.78 0.39 0.00 -1.00 -1.66 119.26 118.45 1pkl h ALA 347 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pkl h ALA 347 Cb -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 1pkl h ALA 347 CO -0.03 0.62 0.39 -0.09 0.00 0.00 0.00 179.25 180.14 1pkl h ARG 348 N 1.22 1.10 -0.36 0.00 2.43 -0.81 -0.41 114.38 117.55 1pkl h ARG 348 Ca 0.31 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 1pkl h ARG 348 Cb 0.02 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1pkl h ARG 348 CO -0.05 0.83 -0.41 0.82 -1.51 0.00 0.00 179.97 179.65 1pkl h ILE 349 N 1.10 1.27 -0.30 1.20 2.04 -0.84 -2.41 117.51 119.57 1pkl h ILE 349 Ca 0.27 -1.59 -0.11 0.00 1.00 0.00 0.00 64.86 64.43 1pkl h ILE 349 Cb 0.08 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1pkl h ILE 349 CO -0.04 0.53 -0.28 0.00 0.00 0.00 0.00 178.15 178.36 1pkl h LEU 351 N 0.52 0.33 -0.58 0.00 6.46 -1.03 -1.58 115.31 119.44 1pkl h LEU 351 Ca 0.07 -0.30 -0.06 0.00 -0.12 0.00 0.00 57.88 57.47 1pkl h LEU 351 Cb 0.75 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1pkl h LEU 351 CO 0.06 0.54 0.13 -0.08 -0.62 0.00 0.00 178.44 178.47 1pkl h GLU 352 N 0.10 0.94 -0.85 1.25 4.57 -1.29 -2.57 114.58 116.72 1pkl h GLU 352 Ca 0.06 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 57.98 1pkl h GLU 352 Cb 0.37 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1pkl h GLU 352 CO 0.01 0.87 0.43 0.00 -1.18 0.00 0.00 179.01 179.14 1pkl h ALA 353 N 1.02 1.10 -0.71 2.92 0.00 -0.95 -2.84 119.26 119.81 1pkl h ALA 353 Ca 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1pkl h ALA 353 Cb 0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1pkl h ALA 353 CO 0.00 0.65 0.32 0.37 0.00 0.00 0.00 179.25 180.59 1pkl h GLN 354 N 1.21 1.03 -0.45 0.00 4.15 -1.09 -2.37 115.11 117.59 1pkl h GLN 354 Ca 0.30 -0.17 0.12 0.00 0.77 0.00 0.00 58.65 59.67 1pkl h GLN 354 Cb 0.10 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1pkl h GLN 354 CO -0.04 0.83 0.32 0.66 -1.93 0.00 0.00 178.83 178.67 1pkl h SER 355 N 0.99 0.06 0.54 -0.69 4.64 -1.21 -1.77 113.55 116.12 1pkl h SER 355 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1pkl h SER 355 Cb 0.15 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1pkl h SER 355 CO -0.03 0.04 -0.93 0.00 -0.87 0.00 0.00 176.83 175.04 1pkl n ALA 356 N -2.60 3.28 -2.27 5.18 0.00 -1.01 -4.93 120.51 118.16 1pkl n ALA 356 Ca 0.08 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1pkl n ALA 356 Cb 0.48 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -4.00 4.36 -0.79 0.00 0.20 -0.67 -4.92 118.68 112.87 1pkl s LEU 357 Ca 0.04 2.18 -0.18 0.00 0.69 0.00 0.00 54.13 56.86 1pkl s LEU 357 Cb 0.14 -3.58 0.14 0.00 -0.43 0.00 0.00 46.19 42.46 1pkl s LEU 357 CO 0.78 -0.60 0.90 0.21 -0.29 0.00 0.00 176.35 177.34 1pkl s ASN 358 N 1.24 6.50 0.54 3.68 2.47 -1.26 -4.89 114.94 123.22 1pkl s ASN 358 Ca 0.62 -1.97 0.33 0.00 0.42 0.00 0.00 52.86 52.26 1pkl s ASN 358 Cb -0.33 -2.32 1.31 0.00 -1.45 0.00 0.00 41.25 38.45 1pkl s ASN 358 CO 0.29 -0.97 1.96 -0.33 -3.72 0.00 0.00 177.10 174.33 1pkl h GLU 359 N 8.71 0.00 0.00 0.43 5.08 -1.93 -2.77 114.58 124.10 1pkl h GLU 359 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1pkl h GLU 359 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1pkl h GLU 359 CO 1.02 0.02 -0.08 -0.92 -1.00 0.00 0.00 179.01 178.05 1pkl h TYR 360 N 0.00 0.00 -0.24 4.33 5.03 -1.90 -1.72 116.97 122.46 1pkl h TYR 360 Ca -0.00 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.23 1pkl h TYR 360 Cb 0.54 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 1pkl h TYR 360 CO 0.00 0.08 -0.18 0.28 -1.32 0.00 0.00 178.16 177.03 1pkl h VAL 361 N 0.00 1.31 -0.05 1.81 2.07 -1.89 -0.79 116.25 118.71 1pkl h VAL 361 Ca -0.00 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 1pkl h VAL 361 Cb 0.39 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1pkl h VAL 361 CO 0.01 0.41 0.03 -0.26 0.02 0.00 0.00 177.57 177.77 1pkl h PHE 362 N 0.26 0.08 0.12 1.57 -1.00 -1.57 0.12 116.94 116.52 1pkl h PHE 362 Ca 0.05 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.84 1pkl h PHE 362 Cb 0.71 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.21 1pkl h PHE 362 CO 0.07 0.16 -0.27 0.35 -1.61 0.00 0.00 178.31 177.00 1pkl h PHE 363 N -0.02 -0.73 -0.84 -0.55 3.57 -1.30 0.12 116.94 117.18 1pkl h PHE 363 Ca 0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pkl h PHE 363 Cb 0.11 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1pkl h PHE 363 CO -0.04 -0.38 0.52 -0.97 -2.23 0.00 0.00 178.31 175.21 1pkl h ASN 364 N -0.49 1.00 -0.42 0.41 -0.73 -1.06 0.49 115.58 114.79 1pkl h ASN 364 Ca 0.03 -0.06 -0.06 0.00 1.87 0.00 0.00 56.30 58.08 1pkl h ASN 364 Cb 0.51 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 1pkl h ASN 364 CO -0.15 0.77 0.02 0.28 -0.37 0.00 0.00 177.43 177.97 1pkl h SER 365 N 1.16 0.71 -0.03 1.15 0.02 -0.44 -0.82 113.55 115.29 1pkl h SER 365 Ca 0.30 -0.30 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1pkl h SER 365 Cb -0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1pkl h SER 365 CO -0.06 0.83 -0.37 0.40 -1.14 0.00 0.00 176.83 176.49 1pkl h ILE 366 N 0.57 1.29 -0.13 3.27 5.03 -0.59 -2.54 117.51 124.42 1pkl h ILE 366 Ca 0.12 -1.50 -0.00 0.00 -0.12 0.00 0.00 64.86 63.36 1pkl h ILE 366 Cb 0.46 1.51 -0.01 0.00 -3.03 0.00 0.00 36.82 35.76 1pkl h ILE 366 CO 0.02 0.47 0.07 0.50 -0.68 0.00 0.00 178.15 178.53 1pkl h LYS 367 N 0.44 0.18 -0.18 2.37 3.64 -0.71 -2.55 116.57 119.76 1pkl h LYS 367 Ca 0.04 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1pkl h LYS 367 Cb 0.85 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1pkl h LYS 367 CO 0.07 0.22 -0.06 0.87 -2.27 0.00 0.00 179.45 178.27 1pkl h LYS 368 N 0.10 0.27 -0.00 1.90 1.57 -1.02 -2.24 116.57 117.15 1pkl h LYS 368 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1pkl h LYS 368 Cb 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1pkl h LYS 368 CO -0.01 0.35 -0.12 1.28 -0.57 0.00 0.00 179.45 180.39 1pkl n LEU 369 N -4.32 0.16 -4.56 2.94 4.77 -0.97 -4.79 117.00 110.22 1pkl n LEU 369 Ca -0.00 0.32 -0.40 0.00 -0.03 0.00 0.00 56.01 55.90 1pkl n LEU 369 Cb 0.23 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1pkl n LEU 369 CO 0.37 0.04 1.60 -1.10 -1.33 0.00 0.00 177.39 176.97 1pkl s GLN 370 N -2.90 2.82 0.33 3.23 -1.52 -0.84 -4.94 119.66 115.84 1pkl s GLN 370 Ca 0.17 0.88 -0.28 0.00 -1.95 0.00 0.00 55.36 54.18 1pkl s GLN 370 Cb 0.19 -4.34 -0.13 0.00 -0.22 0.00 0.00 33.01 28.52 1pkl s GLN 370 CO 0.55 -2.49 1.22 1.58 -0.25 0.00 0.00 175.29 175.89 1pkl n HIS 371 N 12.15 2.02 -5.12 0.91 -0.00 -1.26 -4.98 115.22 118.93 1pkl n HIS 371 Ca 0.22 0.59 -0.29 0.00 -0.00 0.00 0.00 57.72 58.24 1pkl n HIS 371 Cb 0.51 -2.37 -0.16 0.00 -0.00 0.00 0.00 29.99 27.96 1pkl n HIS 371 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1pkl s ILE 372 N -1.08 1.80 0.82 3.57 1.01 -1.26 -3.96 121.20 122.10 1pkl s ILE 372 Ca 0.56 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1pkl s ILE 372 Cb -0.60 -1.51 0.09 0.00 0.01 0.00 0.00 42.46 40.44 1pkl s ILE 372 CO 0.62 0.51 1.09 -2.16 0.00 0.00 0.00 174.94 175.00 1pkl s PRO 373 N -0.35 1.86 0.40 2.79 0.04 -1.26 -5.21 135.00 133.27 1pkl s PRO 373 Ca 0.04 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.00 1pkl s PRO 373 Cb -0.10 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1pkl s PRO 373 CO 0.01 -1.84 0.05 0.00 0.04 0.00 0.00 177.00 175.26 1pkl s MET 374 N -4.99 1.89 0.79 4.56 0.23 -1.25 -5.15 119.30 115.37 1pkl s MET 374 Ca 0.62 -2.11 -0.12 0.00 -1.03 0.00 0.00 55.69 53.05 1pkl s MET 374 Cb -0.17 -1.18 0.06 0.00 -1.53 0.00 0.00 34.83 32.02 1pkl s MET 374 CO 0.56 -0.23 1.11 -1.54 -2.03 0.00 0.00 175.02 172.90 1pkl s SER 375 N -3.65 4.63 0.14 -1.18 1.04 -1.26 -4.85 113.70 108.58 1pkl s SER 375 Ca 0.28 1.13 -0.23 0.00 0.48 0.00 0.00 55.95 57.62 1pkl s SER 375 Cb 0.07 -1.83 0.01 0.00 0.10 0.00 0.00 66.02 64.37 1pkl s SER 375 CO 0.14 -1.86 1.63 0.00 0.98 0.00 0.00 173.24 174.13 1pkl h ALA 376 N -1.02 -0.15 -0.25 5.32 0.00 -2.01 -1.15 119.26 120.01 1pkl h ALA 376 Ca -0.47 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1pkl h ALA 376 Cb 1.28 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 1pkl h ALA 376 CO 0.62 -0.67 -0.11 -0.44 0.00 0.00 0.00 179.25 178.65 1pkl h ASP 377 N -0.26 -0.37 -0.37 0.00 3.32 -1.95 0.17 116.42 116.96 1pkl h ASP 377 Ca 0.12 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.31 1pkl h ASP 377 Cb 0.45 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 1pkl h ASP 377 CO -0.35 -0.14 0.15 -0.08 -1.72 0.00 0.00 179.24 177.10 1pkl h GLU 378 N -0.07 0.30 -0.40 3.56 4.57 -1.85 -1.50 114.58 119.20 1pkl h GLU 378 Ca 0.13 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.20 1pkl h GLU 378 Cb 0.27 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1pkl h GLU 378 CO -0.30 0.20 -0.12 0.00 -1.18 0.00 0.00 179.01 177.61 1pkl h ALA 379 N 1.23 1.04 -0.33 2.92 0.00 -0.45 -2.77 119.26 120.90 1pkl h ALA 379 Ca 0.17 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1pkl h ALA 379 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pkl h ALA 379 CO -0.16 0.58 -0.14 0.28 0.00 0.00 0.00 179.25 179.82 1pkl h VAL 380 N 0.65 1.29 -0.23 0.00 2.07 -0.33 -2.36 116.25 117.34 1pkl h VAL 380 Ca 0.11 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 1pkl h VAL 380 Cb 0.58 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1pkl h VAL 380 CO 0.04 0.40 -0.30 0.00 0.02 0.00 0.00 177.57 177.73 1pkl h SER 382 N 0.40 0.82 -0.49 0.00 4.64 -1.50 -2.28 113.55 115.15 1pkl h SER 382 Ca 0.05 -0.64 -0.06 0.00 -0.47 0.00 0.00 61.79 60.67 1pkl h SER 382 Cb 0.73 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1pkl h SER 382 CO 0.06 1.33 0.08 0.28 -0.87 0.00 0.00 176.83 177.70 1pkl h SER 383 N 0.37 0.82 -0.40 4.97 0.02 -1.33 0.29 113.55 118.28 1pkl h SER 383 Ca -0.05 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1pkl h SER 383 Cb 1.32 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1pkl h SER 383 CO 0.14 0.84 0.08 0.00 -1.14 0.00 0.00 176.83 176.76 1pkl h ALA 384 N 1.26 0.53 0.00 3.77 0.00 -1.07 0.65 119.26 124.40 1pkl h ALA 384 Ca 0.17 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1pkl h ALA 384 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pkl h ALA 384 CO 0.01 0.22 -0.46 0.28 0.00 0.00 0.00 179.25 179.30 1pkl h VAL 385 N 0.51 1.12 -0.44 0.00 2.07 -1.12 -2.33 116.25 116.06 1pkl h VAL 385 Ca 0.12 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 1pkl h VAL 385 Cb 0.34 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1pkl h VAL 385 CO 0.00 0.45 0.01 -1.13 0.02 0.00 0.00 177.57 176.93 1pkl h ASN 386 N 0.00 0.75 -0.25 0.57 -0.00 0.12 -2.40 115.58 114.38 1pkl h ASN 386 Ca -0.00 -0.30 -0.03 0.00 -0.00 0.00 0.00 56.30 55.97 1pkl h ASN 386 Cb 0.94 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 39.04 1pkl h ASN 386 CO 0.06 0.87 0.07 0.28 -0.00 0.00 0.00 177.43 178.70 1pkl h SER 387 N 0.62 0.44 -0.15 1.15 0.02 -0.58 -0.38 113.55 114.66 1pkl h SER 387 Ca 0.13 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1pkl h SER 387 Cb 0.47 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1pkl h SER 387 CO 0.02 0.46 0.10 0.58 -1.14 0.00 0.00 176.83 176.85 1pkl h VAL 388 N 0.48 1.06 -0.37 2.27 2.07 -0.94 -0.37 116.25 120.44 1pkl h VAL 388 Ca 0.11 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1pkl h VAL 388 Cb 0.21 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1pkl h VAL 388 CO -0.00 0.05 -0.13 1.88 0.02 0.00 0.00 177.57 179.39 1pkl h TYR 389 N 0.19 0.73 0.08 1.57 0.05 -1.01 0.68 116.97 119.25 1pkl h TYR 389 Ca 0.05 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 1pkl h TYR 389 Cb 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.56 1pkl h TYR 389 CO -0.06 0.76 -0.04 0.93 -1.05 0.00 0.00 178.16 178.71 1pkl h GLU 390 N 0.60 -0.10 -0.01 4.88 5.08 -0.82 -3.24 114.58 120.98 1pkl h GLU 390 Ca 0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1pkl h GLU 390 Cb 0.57 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1pkl h GLU 390 CO 0.04 0.23 -0.27 0.25 -1.00 0.00 0.00 179.01 178.26 1pkl n THR 391 N -4.98 0.00 -3.59 1.13 -2.24 -0.17 -4.95 114.28 99.48 1pkl n THR 391 Ca -0.08 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 1pkl n THR 391 Cb 0.20 0.24 0.07 0.00 -2.10 0.00 0.00 70.33 68.74 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 -0.90 -6.37 -2.24 -0.78 5.02 0.17 -4.93 118.16 108.15 1pkl n LYS 392 Ca 0.11 0.76 -0.35 0.00 -2.02 0.00 0.00 58.31 56.81 1pkl n LYS 392 Cb 0.33 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.69 1pkl n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkl s ALA 393 N -3.42 2.70 -2.08 7.82 0.00 -0.84 -4.80 121.76 121.13 1pkl s ALA 393 Ca 0.20 0.85 0.19 0.00 0.00 0.00 0.00 51.96 53.20 1pkl s ALA 393 Cb -0.09 -3.37 0.33 0.00 0.00 0.00 0.00 23.12 19.99 1pkl s ALA 393 CO 0.76 -0.80 1.27 1.63 0.00 0.00 0.00 175.76 178.63 1pkl n LYS 394 N -1.27 2.20 -3.52 0.00 5.02 -0.81 -4.81 118.16 114.97 1pkl n LYS 394 Ca 0.12 -2.03 -0.10 0.00 -2.02 0.00 0.00 58.31 54.28 1pkl n LYS 394 Cb 0.51 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.35 -1.84 -0.01 7.82 0.00 -1.26 -4.23 121.76 120.89 1pkl s ALA 395 Ca 0.31 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.48 1pkl s ALA 395 Cb 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 1pkl s ALA 395 CO 0.26 -0.57 -0.14 -1.64 0.00 0.00 0.00 175.76 173.67 1pkl s MET 396 N -2.47 1.13 -0.21 0.00 -1.94 -0.61 -2.13 119.30 113.07 1pkl s MET 396 Ca 0.02 -0.51 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 1pkl s MET 396 Cb -0.01 -1.10 0.03 0.00 2.01 0.00 0.00 34.83 35.77 1pkl s MET 396 CO -0.05 0.30 -0.15 0.08 -0.01 0.00 0.00 175.02 175.19 1pkl s VAL 397 N -0.34 2.22 -0.23 -6.03 1.01 0.20 -0.10 120.40 117.13 1pkl s VAL 397 Ca 0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 1pkl s VAL 397 Cb -0.05 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1pkl s VAL 397 CO -0.00 0.31 -0.05 -0.69 0.00 0.00 0.00 175.10 174.67 1pkl s VAL 398 N 1.24 3.24 -0.49 2.92 1.01 0.46 -0.83 120.40 127.94 1pkl s VAL 398 Ca -0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 1pkl s VAL 398 Cb -0.16 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.75 1pkl s VAL 398 CO -0.09 0.37 0.75 -0.76 0.00 0.00 0.00 175.10 175.37 1pkl s LEU 399 N 1.44 4.47 -0.05 3.92 1.43 -0.95 -1.13 118.68 127.82 1pkl s LEU 399 Ca 0.05 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1pkl s LEU 399 Cb -0.15 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.38 1pkl s LEU 399 CO -0.04 -0.97 0.02 -0.55 0.23 0.00 0.00 176.35 175.04 1pkl s SER 400 N 2.49 1.09 0.00 2.29 0.15 -1.09 -4.49 113.70 114.14 1pkl s SER 400 Ca 0.24 -0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.84 1pkl s SER 400 Cb -0.15 -0.28 -0.28 0.00 -1.71 0.00 0.00 66.02 63.60 1pkl s SER 400 CO 0.18 -0.18 0.85 0.78 1.20 0.00 0.00 173.24 176.07 1pkl h ASN 401 N 8.04 0.41 0.00 5.45 -0.26 -1.94 -3.36 115.58 123.92 1pkl h ASN 401 Ca -0.24 -0.57 0.00 0.00 -0.56 0.00 0.00 56.30 54.93 1pkl h ASN 401 Cb 1.13 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1pkl h ASN 401 CO 0.29 1.47 -1.29 0.35 -1.06 0.00 0.00 177.43 177.19 1pkl n THR 402 N -3.47 0.00 -0.44 2.81 -2.24 -1.26 -4.39 114.28 105.29 1pkl n THR 402 Ca -0.17 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1pkl n THR 402 Cb 1.05 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 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 1.43 0.72 0.08 3.38 0.00 -1.26 -4.89 105.19 104.65 1pkl n GLY 403 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 4.01 0.14 -0.32 1.61 2.43 -1.94 -1.88 114.38 118.44 1pkl h ARG 404 Ca 0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1pkl h ARG 404 Cb 0.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1pkl h ARG 404 CO 0.00 0.20 0.06 0.77 -1.51 0.00 0.00 179.97 179.49 1pkl h SER 405 N 0.05 0.50 -0.93 -3.80 0.02 -1.93 -1.50 113.55 105.96 1pkl h SER 405 Ca 0.03 -0.25 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1pkl h SER 405 Cb 0.10 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 1pkl h SER 405 CO -0.00 0.62 0.60 0.00 -1.14 0.00 0.00 176.83 176.90 1pkl h ALA 406 N 0.90 1.26 -0.04 3.77 0.00 -1.91 0.83 119.26 124.05 1pkl h ALA 406 Ca 0.10 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1pkl h ALA 406 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1pkl h ALA 406 CO 0.00 0.41 -0.58 -0.09 0.00 0.00 0.00 179.25 178.99 1pkl h ARG 407 N 1.12 0.14 -0.03 0.00 2.43 -1.19 -1.25 114.38 115.60 1pkl h ARG 407 Ca 0.39 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 59.28 1pkl h ARG 407 Cb 0.09 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1pkl h ARG 407 CO -0.15 0.68 -0.70 1.25 -1.51 0.00 0.00 179.97 179.55 1pkl h LEU 408 N 0.11 0.66 -0.35 3.80 5.85 -0.46 -2.82 115.31 122.10 1pkl h LEU 408 Ca -0.00 -0.73 -0.02 0.00 0.84 0.00 0.00 57.88 57.98 1pkl h LEU 408 Cb 1.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1pkl h LEU 408 CO 0.08 1.30 0.16 0.58 -0.34 0.00 0.00 178.44 180.22 1pkl h VAL 409 N 0.09 1.17 -0.03 1.05 2.07 -0.83 -2.48 116.25 117.29 1pkl h VAL 409 Ca -0.08 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1pkl h VAL 409 Cb 1.38 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1pkl h VAL 409 CO 0.14 0.18 0.03 0.00 0.02 0.00 0.00 177.57 177.94 1pkl h ALA 410 N 1.01 1.66 -0.67 1.67 0.00 -1.27 -1.80 119.26 119.86 1pkl h ALA 410 Ca 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1pkl h ALA 410 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1pkl h ALA 410 CO -0.01 -0.04 0.29 -0.22 0.00 0.00 0.00 179.25 179.27 1pkl h LYS 411 N 0.00 0.96 0.00 0.00 3.64 -1.17 -2.12 116.57 117.88 1pkl h LYS 411 Ca 0.01 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1pkl h LYS 411 Cb 0.07 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1pkl h LYS 411 CO -0.00 0.76 0.00 0.66 -2.27 0.00 0.00 179.45 178.60 1pkl n TYR 412 N -4.32 0.00 -3.21 1.91 4.01 -0.68 -4.88 117.16 109.99 1pkl n TYR 412 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 1pkl n TYR 412 Cb 0.15 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 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 -1.45 -1.57 -2.20 -0.72 5.12 -0.80 -3.77 116.66 111.27 1pkl n ARG 413 Ca 0.06 1.44 -0.33 0.00 -1.93 0.00 0.00 57.85 57.08 1pkl n ARG 413 Cb 0.22 -4.79 -0.00 0.00 -1.16 0.00 0.00 32.46 26.72 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 -3.32 3.50 -0.34 5.56 0.02 -1.26 -4.56 135.00 134.60 1pkl s PRO 414 Ca 0.06 1.21 -0.01 0.00 0.02 0.00 0.00 61.00 62.28 1pkl s PRO 414 Cb -0.01 -2.06 0.23 0.00 0.02 0.00 0.00 34.50 32.67 1pkl s PRO 414 CO 0.79 -0.66 2.03 0.27 -0.33 0.00 0.00 177.00 179.10 1pkl n ASN 415 N -1.75 6.55 -3.62 2.53 6.94 -1.26 -4.84 115.26 119.81 1pkl n ASN 415 Ca 0.09 -3.11 -0.12 0.00 -0.02 0.00 0.00 54.58 51.42 1pkl n ASN 415 Cb 0.53 -1.06 -0.05 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 0.11 1.68 -4.36 0.00 -0.02 -1.26 -4.81 135.00 126.34 1pkl n PRO 417 Ca -0.17 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 1pkl n PRO 417 Cb 0.62 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.29 3.44 -0.25 4.25 1.01 -0.87 -1.57 121.20 125.93 1pkl s ILE 418 Ca 0.68 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 1pkl s ILE 418 Cb -0.45 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.53 1pkl s ILE 418 CO 0.52 0.48 -0.04 -0.69 0.00 0.00 0.00 174.94 175.21 1pkl s VAL 419 N 0.74 3.11 -0.21 2.92 1.01 0.86 -1.42 120.40 127.41 1pkl s VAL 419 Ca -0.03 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1pkl s VAL 419 Cb -0.15 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1pkl s VAL 419 CO 0.02 0.24 0.19 0.00 0.00 0.00 0.00 175.10 175.55 1pkl s VAL 421 N 0.71 3.79 0.21 0.00 1.01 -0.29 0.31 120.40 126.14 1pkl s VAL 421 Ca 0.10 -0.81 0.11 0.00 0.00 0.00 0.00 61.98 61.38 1pkl s VAL 421 Cb -0.13 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1pkl s VAL 421 CO 0.02 0.06 -0.21 -0.89 0.00 0.00 0.00 175.10 174.08 1pkl s THR 422 N 1.46 2.22 -2.21 3.92 2.01 -0.63 -2.66 115.64 119.75 1pkl s THR 422 Ca 0.02 -2.11 0.24 0.00 0.31 0.00 0.00 61.69 60.14 1pkl s THR 422 Cb -0.17 -2.10 0.13 0.00 0.01 0.00 0.00 72.50 70.37 1pkl s THR 422 CO 0.02 -0.27 1.27 0.35 -0.69 0.00 0.00 174.62 175.30 1pkl n THR 423 N 0.00 0.00 -4.05 -0.82 -2.24 -1.26 -0.23 114.28 105.68 1pkl n THR 423 Ca -0.10 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.06 1pkl n THR 423 Cb 0.58 1.08 -0.15 0.00 -2.10 0.00 0.00 70.33 69.73 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 -2.35 3.03 0.54 -0.78 0.52 -1.26 -4.70 118.95 113.96 1pkl s ARG 424 Ca 0.23 -0.82 0.26 0.00 -0.52 0.00 0.00 55.73 54.88 1pkl s ARG 424 Cb 0.19 -2.72 1.55 0.00 0.52 0.00 0.00 34.95 34.49 1pkl s ARG 424 CO 0.49 -0.24 2.15 1.25 0.02 0.00 0.00 175.30 178.97 1pkl h LEU 425 N 7.98 0.00 -0.85 2.53 5.85 -1.94 -1.45 115.31 127.43 1pkl h LEU 425 Ca -0.43 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 1pkl h LEU 425 Cb 1.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1pkl h LEU 425 CO 0.62 0.06 -0.31 -0.61 -0.34 0.00 0.00 178.44 177.86 1pkl h GLN 426 N 0.00 0.00 -0.17 1.25 4.15 -1.96 -2.62 115.11 115.76 1pkl h GLN 426 Ca -0.00 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 1pkl h GLN 426 Cb 0.15 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1pkl h GLN 426 CO 0.01 0.31 -0.59 1.15 -1.93 0.00 0.00 178.83 177.78 1pkl h THR 427 N 0.00 1.32 -0.83 2.39 2.02 -1.56 0.13 112.91 116.39 1pkl h THR 427 Ca -0.00 -1.86 -0.02 0.00 0.77 0.00 0.00 66.41 65.30 1pkl h THR 427 Cb 0.90 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 1pkl h THR 427 CO 0.04 0.58 0.42 0.00 0.37 0.00 0.00 175.52 176.93 1pkl h ARG 429 N 1.17 0.44 -0.08 0.00 3.08 -1.25 -3.31 114.38 114.42 1pkl h ARG 429 Ca 0.29 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1pkl h ARG 429 Cb 0.08 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1pkl h ARG 429 CO -0.04 1.08 -0.28 1.96 -1.07 0.00 0.00 179.97 181.62 1pkl h GLN 430 N -0.03 0.15 0.00 0.04 4.20 -0.55 -2.07 115.11 116.85 1pkl h GLN 430 Ca -0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1pkl h GLN 430 Cb 1.25 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1pkl h GLN 430 CO 0.11 0.42 0.00 1.28 -0.67 0.00 0.00 178.83 179.97 1pkl n LEU 431 N -4.16 0.00 0.08 1.46 4.77 -0.12 -3.06 117.00 115.98 1pkl n LEU 431 Ca -0.01 0.13 0.09 0.00 -0.03 0.00 0.00 56.01 56.19 1pkl n LEU 431 Cb 0.36 -0.13 0.41 0.00 -2.33 0.00 0.00 43.42 41.72 1pkl n LEU 431 CO 0.39 -0.05 0.79 0.59 -1.33 0.00 0.00 177.39 177.77 1pkl n ASN 432 N -1.13 0.40 -0.89 -1.43 3.02 -0.78 -1.97 115.26 112.47 1pkl n ASN 432 Ca 0.12 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.38 1pkl n ASN 432 Cb 0.11 -0.69 0.13 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.95 0.24 -3.68 2.41 -5.35 -1.17 -4.78 119.36 105.08 1pkl n ILE 433 Ca 0.02 -0.62 -0.37 0.00 -0.27 0.00 0.00 62.75 61.51 1pkl n ILE 433 Cb 0.17 1.20 -0.11 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.52 4.93 0.45 7.28 2.01 -0.83 -4.46 115.64 123.50 1pkl s THR 434 Ca 0.28 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 1pkl s THR 434 Cb 0.18 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 1pkl s THR 434 CO 0.26 0.30 1.36 -1.58 -0.69 0.00 0.00 174.62 174.27 1pkl s GLN 435 N 1.56 3.71 -0.16 4.92 -0.44 -1.26 -3.77 119.66 124.22 1pkl s GLN 435 Ca 0.07 2.26 0.00 0.00 -2.50 0.00 0.00 55.36 55.18 1pkl s GLN 435 Cb -0.15 -2.62 0.00 0.00 -1.64 0.00 0.00 33.01 28.60 1pkl s GLN 435 CO 0.07 -0.74 0.00 0.41 0.50 0.00 0.00 175.29 175.54 1pkl n GLY 436 N 0.62 0.41 3.39 2.59 0.00 0.31 -4.95 105.19 107.57 1pkl n GLY 436 Ca 0.05 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.67 2.27 -0.01 1.61 1.01 -1.25 -2.05 120.40 120.31 1pkl s VAL 437 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.23 1pkl s VAL 437 Cb 0.00 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1pkl s VAL 437 CO 0.00 0.09 -0.01 -1.61 0.00 0.00 0.00 175.10 173.57 1pkl s GLU 438 N -2.06 0.23 -0.01 2.72 2.02 -0.51 -4.97 118.70 116.13 1pkl s GLU 438 Ca 0.14 -0.00 -0.01 0.00 0.02 0.00 0.00 54.97 55.12 1pkl s GLU 438 Cb -0.10 -0.32 -0.04 0.00 0.10 0.00 0.00 34.13 33.78 1pkl s GLU 438 CO 0.06 -0.04 0.09 -1.12 0.02 0.00 0.00 175.26 174.27 1pkl s SER 439 N 0.47 5.72 -0.17 -0.19 0.01 -1.26 -0.35 113.70 117.93 1pkl s SER 439 Ca -0.04 0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.38 1pkl s SER 439 Cb -0.07 -1.65 0.02 0.00 0.21 0.00 0.00 66.02 64.53 1pkl s SER 439 CO -0.01 0.27 -0.17 -0.69 0.41 0.00 0.00 173.24 173.06 1pkl s VAL 440 N -1.20 1.80 -0.08 3.43 1.01 0.15 -4.93 120.40 120.58 1pkl s VAL 440 Ca 0.23 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 1pkl s VAL 440 Cb -0.12 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1pkl s VAL 440 CO 0.14 0.48 0.88 0.12 0.00 0.00 0.00 175.10 176.72 1pkl s PHE 441 N 1.39 3.56 -0.27 5.22 5.36 -1.26 -1.60 117.98 130.38 1pkl s PHE 441 Ca 0.05 1.46 -0.04 0.00 -0.96 0.00 0.00 56.93 57.44 1pkl s PHE 441 Cb -0.13 -3.02 0.02 0.00 -0.34 0.00 0.00 43.02 39.55 1pkl s PHE 441 CO -0.12 -0.08 -0.00 0.12 -1.46 0.00 0.00 175.22 173.69 1pkl s PHE 442 N 1.40 3.13 -0.92 10.12 5.36 0.68 -4.94 117.98 132.80 1pkl s PHE 442 Ca 0.44 -1.41 -0.24 0.00 -0.96 0.00 0.00 56.93 54.76 1pkl s PHE 442 Cb -0.19 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.36 1pkl s PHE 442 CO 0.20 -0.69 1.64 0.34 -1.46 0.00 0.00 175.22 175.25 1pkl s ASP 443 N 1.37 5.89 0.54 6.13 -1.08 -1.26 -4.18 116.67 124.08 1pkl s ASP 443 Ca 0.00 -0.95 0.26 0.00 -0.52 0.00 0.00 52.55 51.34 1pkl s ASP 443 Cb -0.17 -2.56 1.43 0.00 -1.46 0.00 0.00 42.92 40.16 1pkl s ASP 443 CO -0.01 -2.05 2.01 0.00 0.52 0.00 0.00 175.17 175.63 1pkl h ALA 444 N 10.73 2.36 0.02 3.66 0.00 -1.84 -0.99 119.26 133.20 1pkl h ALA 444 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pkl h ALA 444 Cb 1.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pkl h ALA 444 CO 1.32 -0.59 -0.01 -0.44 0.00 0.00 0.00 179.25 179.53 1pkl h ASP 445 N 0.00 -0.03 -0.55 0.00 3.32 -1.88 -2.88 116.42 114.40 1pkl h ASP 445 Ca 0.22 -0.71 -0.20 0.00 0.02 0.00 0.00 57.03 56.35 1pkl h ASP 445 Cb 0.92 0.01 -0.12 0.00 0.22 0.00 0.00 39.33 40.36 1pkl h ASP 445 CO -0.00 0.78 0.26 0.29 -1.72 0.00 0.00 179.24 178.85 1pkl n LYS 446 N -4.70 2.56 0.00 3.56 5.02 -0.92 -4.23 118.16 119.45 1pkl n LYS 446 Ca -0.08 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 1pkl n LYS 446 Cb 0.36 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 -0.18 0.00 0.00 -0.35 4.77 -0.42 -4.97 117.00 115.84 1pkl n LEU 447 Ca 0.31 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1pkl n LEU 447 Cb 1.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.21 1pkl n LEU 447 CO 0.33 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1pkl n GLY 448 N 0.00 0.76 0.12 -0.72 0.00 -1.09 -4.74 105.19 99.52 1pkl n GLY 448 Ca 0.00 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.34 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 0.87 0.92 -3.80 1.61 8.25 -1.26 -4.45 115.22 117.37 1pkl n HIS 449 Ca 0.00 0.29 -0.35 0.00 -0.26 0.00 0.00 57.72 57.40 1pkl n HIS 449 Cb 0.00 -0.98 0.03 0.00 1.12 0.00 0.00 29.99 30.16 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 -2.28 -4.65 -4.77 0.41 2.03 -1.26 -4.96 116.55 101.06 1pkl n ASP 450 Ca 0.04 -1.09 -0.38 0.00 0.52 0.00 0.00 54.79 53.89 1pkl n ASP 450 Cb 0.37 -2.92 -0.04 0.00 -0.72 0.00 0.00 41.12 37.81 1pkl n ASP 450 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1pkl s GLU 451 N -6.39 4.36 0.00 -0.67 2.02 -1.26 -2.26 118.70 114.49 1pkl s GLU 451 Ca 0.45 1.57 0.00 0.00 0.02 0.00 0.00 54.97 57.01 1pkl s GLU 451 Cb -0.18 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1pkl s GLU 451 CO 0.89 0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.60 1pkl n GLY 452 N 0.64 1.98 2.39 -1.39 0.00 -1.26 -4.67 105.19 102.88 1pkl n GLY 452 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1pkl n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pkl n LYS 453 N -1.81 -1.67 -0.05 1.61 5.02 -0.96 -4.87 118.16 115.43 1pkl n LYS 453 Ca 0.00 0.58 -0.02 0.00 -2.02 0.00 0.00 58.31 56.85 1pkl n LYS 453 Cb 0.00 -4.64 0.23 0.00 -0.02 0.00 0.00 35.03 30.60 1pkl n LYS 453 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1pkl h GLU 454 N 0.00 0.64 -0.05 1.97 5.08 -1.83 -2.71 114.58 117.68 1pkl h GLU 454 Ca -0.14 -0.15 -0.24 0.00 -1.00 0.00 0.00 59.36 57.82 1pkl h GLU 454 Cb 0.80 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1pkl h GLU 454 CO 0.21 0.66 -0.92 0.45 -1.00 0.00 0.00 179.01 178.41 1pkl h HIS 455 N 0.61 0.94 -0.42 4.33 3.86 -1.89 -2.70 115.15 119.88 1pkl h HIS 455 Ca 0.13 -0.47 -0.10 0.00 -1.16 0.00 0.00 60.37 58.77 1pkl h HIS 455 Cb 0.39 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1pkl h HIS 455 CO 0.02 1.30 -0.11 0.00 0.86 0.00 0.00 177.93 179.99 1pkl h ARG 456 N 0.40 0.82 -0.67 2.45 3.08 -1.91 -0.68 114.38 117.87 1pkl h ARG 456 Ca -0.09 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 1pkl h ARG 456 Cb 1.56 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.54 1pkl h ARG 456 CO 0.18 0.94 0.33 0.28 -1.07 0.00 0.00 179.97 180.63 1pkl h VAL 457 N 0.64 1.22 -0.76 2.04 2.07 -1.54 -0.98 116.25 118.94 1pkl h VAL 457 Ca 0.10 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1pkl h VAL 457 Cb 0.65 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1pkl h VAL 457 CO 0.04 0.26 0.34 0.00 0.02 0.00 0.00 177.57 178.23 1pkl h ALA 458 N 1.16 0.98 -0.50 1.67 0.00 -1.27 -0.54 119.26 120.76 1pkl h ALA 458 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1pkl h ALA 458 Cb 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1pkl h ALA 458 CO -0.03 0.57 0.20 0.00 0.00 0.00 0.00 179.25 179.99 1pkl h ALA 459 N 1.17 0.64 -0.70 0.00 0.00 -0.65 0.32 119.26 120.04 1pkl h ALA 459 Ca 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1pkl h ALA 459 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1pkl h ALA 459 CO -0.03 0.25 0.27 0.78 0.00 0.00 0.00 179.25 180.52 1pkl h GLY 460 N 0.66 1.14 1.55 0.00 0.00 -0.69 -1.65 103.07 104.08 1pkl h GLY 460 Ca 0.17 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 1pkl h GLY 460 CO -0.01 0.60 -0.50 -2.08 0.00 0.00 0.00 176.54 174.54 1pkl h VAL 461 N 1.01 1.32 -0.68 4.60 2.07 -0.91 -2.15 116.25 121.51 1pkl h VAL 461 Ca 0.23 -1.73 -0.07 0.00 0.82 0.00 0.00 66.70 65.95 1pkl h VAL 461 Cb 0.23 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1pkl h VAL 461 CO -0.02 0.53 0.13 -0.08 0.02 0.00 0.00 177.57 178.16 1pkl h GLU 462 N 0.38 1.10 -0.27 1.57 4.57 -0.59 -0.56 114.58 120.78 1pkl h GLU 462 Ca 0.02 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 57.89 1pkl h GLU 462 Cb 1.01 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1pkl h GLU 462 CO 0.09 0.99 0.05 0.35 -1.18 0.00 0.00 179.01 179.31 1pkl h PHE 463 N 1.03 0.47 -0.74 0.92 3.57 -1.19 -0.92 116.94 120.09 1pkl h PHE 463 Ca 0.21 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1pkl h PHE 463 Cb 0.41 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1pkl h PHE 463 CO 0.03 0.54 0.46 0.00 -2.23 0.00 0.00 178.31 177.12 1pkl h ALA 464 N 0.87 1.43 -0.33 2.41 0.00 -1.09 -1.51 119.26 121.06 1pkl h ALA 464 Ca 0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1pkl h ALA 464 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1pkl h ALA 464 CO 0.00 0.51 -0.28 0.87 0.00 0.00 0.00 179.25 180.35 1pkl h LYS 465 N 1.00 0.77 -0.84 0.00 1.57 -0.84 0.14 116.57 118.38 1pkl h LYS 465 Ca 0.27 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1pkl h LYS 465 Cb -0.08 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1pkl h LYS 465 CO -0.05 1.01 0.39 0.66 -0.57 0.00 0.00 179.45 180.89 1pkl h SER 466 N 0.54 1.12 0.65 0.86 4.64 -0.78 -1.57 113.55 119.00 1pkl h SER 466 Ca 0.06 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1pkl h SER 466 Cb 0.85 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1pkl h SER 466 CO 0.07 0.95 0.00 0.29 -0.87 0.00 0.00 176.83 177.27 1pkl n LYS 467 N -4.30 0.19 -1.38 4.77 4.76 -0.60 -4.91 118.16 116.70 1pkl n LYS 467 Ca 0.08 0.06 -0.01 0.00 -2.87 0.00 0.00 58.31 55.57 1pkl n LYS 467 Cb 0.15 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 0.94 0.42 0.12 0.72 0.00 -0.59 -4.96 105.19 101.83 1pkl n GLY 468 Ca 0.09 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 0.50 -4.02 1.61 0.05 -0.94 -3.46 116.97 110.71 1pkl h TYR 469 Ca -0.02 -0.30 -0.50 0.00 0.05 0.00 0.00 58.73 57.95 1pkl h TYR 469 Cb 0.41 -0.04 -0.23 0.00 1.01 0.00 0.00 36.73 37.87 1pkl h TYR 469 CO 0.03 1.16 -0.81 0.14 -1.05 0.00 0.00 178.16 177.63 1pkl s VAL 470 N -2.90 1.42 0.23 -2.88 -7.23 -1.18 -4.79 120.40 103.06 1pkl s VAL 470 Ca -0.14 -1.27 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 1pkl s VAL 470 Cb 0.02 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 1pkl s VAL 470 CO 0.80 -0.01 -0.06 -1.10 -0.31 0.00 0.00 175.10 174.42 1pkl s GLN 471 N -1.49 1.36 0.14 4.82 -0.21 -1.26 -4.23 119.66 118.78 1pkl s GLN 471 Ca 0.04 -1.66 -0.34 0.00 0.02 0.00 0.00 55.36 53.42 1pkl s GLN 471 Cb -0.09 -0.88 -0.17 0.00 1.00 0.00 0.00 33.01 32.87 1pkl s GLN 471 CO 0.02 0.02 1.05 2.41 -2.12 0.00 0.00 175.29 176.68 1pkl n THR 472 N -0.43 0.82 0.00 -0.19 -1.04 -1.26 -1.47 114.28 110.71 1pkl n THR 472 Ca -0.06 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1pkl n THR 472 Cb 0.63 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1pkl n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pkl n GLY 473 N 1.92 3.36 3.80 3.41 0.00 0.76 -4.94 105.19 113.51 1pkl n GLY 473 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.65 4.09 -0.03 1.61 1.01 -0.54 -4.74 116.67 117.41 1pkl s ASP 474 Ca 0.00 1.12 -0.00 0.00 0.71 0.00 0.00 52.55 54.38 1pkl s ASP 474 Cb 0.00 -1.78 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 1pkl s ASP 474 CO 0.00 -2.20 0.03 -0.31 0.21 0.00 0.00 175.17 172.90 1pkl s TYR 475 N -3.24 3.18 -0.05 4.23 2.02 -1.26 -0.55 117.35 121.68 1pkl s TYR 475 Ca 0.62 0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 57.48 1pkl s TYR 475 Cb -0.14 -1.74 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1pkl s TYR 475 CO 0.53 0.50 0.02 0.00 -1.57 0.00 0.00 175.55 175.04 1pkl s VAL 477 N 1.89 5.00 -0.09 0.00 1.01 -0.90 -0.79 120.40 126.52 1pkl s VAL 477 Ca 0.03 1.25 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 1pkl s VAL 477 Cb -0.12 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1pkl s VAL 477 CO -0.04 0.09 0.01 -0.69 0.00 0.00 0.00 175.10 174.47 1pkl s VAL 478 N 2.00 4.36 0.15 2.92 1.01 0.72 -0.63 120.40 130.92 1pkl s VAL 478 Ca 0.30 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1pkl s VAL 478 Cb -0.16 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1pkl s VAL 478 CO 0.10 0.61 -0.03 -0.63 0.00 0.00 0.00 175.10 175.14 1pkl s ILE 479 N -0.88 0.76 -0.30 2.22 1.01 -0.01 -1.28 121.20 122.72 1pkl s ILE 479 Ca 0.13 -1.98 -0.13 0.00 0.00 0.00 0.00 60.65 58.67 1pkl s ILE 479 Cb -0.11 -1.94 0.17 0.00 0.01 0.00 0.00 42.46 40.59 1pkl s ILE 479 CO 0.02 -0.64 0.99 -2.28 0.00 0.00 0.00 174.94 173.03 1pkl s HIS 480 N -3.59 -0.68 0.05 3.97 5.65 -0.82 -2.23 115.29 117.63 1pkl s HIS 480 Ca 0.19 0.99 0.05 0.00 0.25 0.00 0.00 55.06 56.54 1pkl s HIS 480 Cb 0.05 0.34 -0.02 0.00 -1.18 0.00 0.00 32.58 31.77 1pkl s HIS 480 CO 0.01 -0.35 -0.13 0.00 -0.65 0.00 0.00 174.74 173.61 1pkl s ALA 481 N 2.62 1.10 -0.25 1.58 0.00 -1.26 -1.67 121.76 123.88 1pkl s ALA 481 Ca -0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 1pkl s ALA 481 Cb -0.08 -0.14 0.07 0.00 0.00 0.00 0.00 23.12 22.97 1pkl s ALA 481 CO -0.16 0.19 0.64 0.34 0.00 0.00 0.00 175.76 176.77 1pkl s ASP 482 N -1.28 -0.75 -0.79 0.00 2.15 -1.26 -4.89 116.67 109.85 1pkl s ASP 482 Ca -0.00 1.33 0.02 0.00 0.43 0.00 0.00 52.55 54.33 1pkl s ASP 482 Cb -0.08 1.29 0.33 0.00 -0.30 0.00 0.00 42.92 44.16 1pkl s ASP 482 CO 0.01 -0.23 1.39 1.41 -0.17 0.00 0.00 175.17 177.58 1pkl n HIS 483 N 3.39 3.43 -1.94 -5.34 8.25 -1.26 -4.83 115.22 116.92 1pkl n HIS 483 Ca -0.17 -3.27 -0.03 0.00 -0.26 0.00 0.00 57.72 53.99 1pkl n HIS 483 Cb 0.57 -0.82 -0.03 0.00 1.12 0.00 0.00 29.99 30.82 1pkl n HIS 483 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pkl n ALA 489 N -0.18 2.64 0.00 -1.41 0.00 -1.26 -5.23 120.51 115.06 1pkl n ALA 489 Ca 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1pkl n ALA 489 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1pkl n ALA 489 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pkl n ASN 490 N 0.00 0.00 0.00 0.00 2.85 -1.24 -4.82 115.26 112.05 1pkl n ASN 490 Ca -0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1pkl n ASN 490 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1pkl n ASN 490 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1pkl n GLN 491 N -0.55 0.00 -3.89 1.20 7.27 -0.67 -4.95 117.38 115.79 1pkl n GLN 491 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 1pkl n GLN 491 Cb 0.00 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.50 1pkl n GLN 491 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1pkl s THR 492 N -0.38 0.08 0.00 1.69 2.01 -1.26 -1.94 115.64 115.85 1pkl s THR 492 Ca 0.00 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1pkl s THR 492 Cb 0.00 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.35 1pkl s THR 492 CO 0.00 0.09 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.82 1pkl s ARG 493 N 0.66 0.52 -0.61 4.92 0.52 -0.41 -4.99 118.95 119.56 1pkl s ARG 493 Ca -0.06 -0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 54.76 1pkl s ARG 493 Cb -0.09 -0.48 0.16 0.00 0.52 0.00 0.00 34.95 35.06 1pkl s ARG 493 CO -0.02 0.13 0.49 0.42 0.02 0.00 0.00 175.30 176.34 1pkl s ILE 494 N -0.31 4.41 0.53 1.52 1.01 -1.26 -0.20 121.20 126.89 1pkl s ILE 494 Ca 0.01 -2.35 -0.16 0.00 0.00 0.00 0.00 60.65 58.14 1pkl s ILE 494 Cb -0.03 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 1pkl s ILE 494 CO -0.00 -0.88 1.00 -0.76 0.00 0.00 0.00 174.94 174.30 1pkl s LEU 495 N 0.58 3.61 -0.33 2.97 1.43 0.03 -4.90 118.68 122.07 1pkl s LEU 495 Ca 0.13 1.61 -0.07 0.00 -1.03 0.00 0.00 54.13 54.76 1pkl s LEU 495 Cb -0.20 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.53 1pkl s LEU 495 CO -0.04 -0.67 0.11 -0.22 0.23 0.00 0.00 176.35 175.77 1pkl s LEU 496 N -4.13 4.22 0.38 1.79 2.96 -1.26 -1.35 118.68 121.29 1pkl s LEU 496 Ca 0.60 -0.97 -0.28 0.00 -0.22 0.00 0.00 54.13 53.26 1pkl s LEU 496 Cb -0.11 -1.90 -0.10 0.00 0.50 0.00 0.00 46.19 44.58 1pkl s LEU 496 CO 0.32 -0.29 1.45 -0.69 -1.32 0.00 0.00 176.35 175.82 1pkl s VAL 497 N 1.46 2.15 0.00 1.68 1.01 0.29 -4.87 120.40 122.12 1pkl s VAL 497 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1pkl s VAL 497 Cb -0.19 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1pkl s VAL 497 CO 0.03 0.03 0.47 -0.62 0.00 0.00 0.00 175.10 175.01