#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkl h GLN 2 N 0.00 0.10 0.42 4.33 5.75 -1.99 -3.01 115.11 120.71 1pkl h GLN 2 Ca 0.00 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1pkl h GLN 2 Cb 0.00 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1pkl h GLN 2 CO 0.00 0.97 -0.38 1.25 -2.65 0.00 0.00 178.83 178.02 1pkl h LEU 3 N 0.04 -1.02 -1.22 -2.39 5.85 -2.00 -1.13 115.31 113.44 1pkl h LEU 3 Ca -0.04 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.90 1pkl h LEU 3 Cb 1.63 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 42.92 1pkl h LEU 3 CO 0.14 -0.51 0.59 0.00 -0.34 0.00 0.00 178.44 178.31 1pkl h ALA 4 N -1.18 1.76 -0.72 1.25 0.00 -2.03 -1.53 119.26 116.81 1pkl h ALA 4 Ca -0.05 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1pkl h ALA 4 Cb 0.67 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1pkl h ALA 4 CO -0.02 0.00 0.19 1.25 0.00 0.00 0.00 179.25 180.68 1pkl h HIS 5 N 0.76 1.18 -0.37 0.00 -0.00 -1.34 -2.81 115.15 112.59 1pkl h HIS 5 Ca 0.46 -0.13 0.03 0.00 -0.00 0.00 0.00 60.37 60.72 1pkl h HIS 5 Cb 0.66 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 1pkl h HIS 5 CO -0.00 0.95 0.25 -0.91 -0.00 0.00 0.00 177.93 178.22 1pkl h ASN 6 N 1.07 0.34 0.15 3.26 2.35 -0.14 -2.12 115.58 120.50 1pkl h ASN 6 Ca 0.23 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1pkl h ASN 6 Cb 0.35 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1pkl h ASN 6 CO -0.00 0.23 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.77 1pkl h LEU 7 N 0.39 0.04 0.00 1.61 3.38 -1.43 -2.79 115.31 116.51 1pkl h LEU 7 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pkl h LEU 7 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1pkl h LEU 7 CO -0.03 0.21 -0.46 0.35 0.09 0.00 0.00 178.44 178.59 1pkl n THR 8 N -4.32 0.01 -1.67 0.22 -2.24 -0.80 -4.95 114.28 100.53 1pkl n THR 8 Ca -0.02 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 1pkl n THR 8 Cb 0.24 0.18 0.07 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.04 2.76 -0.25 3.22 1.43 -1.05 -5.09 118.68 116.65 1pkl s LEU 9 Ca 0.11 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.33 1pkl s LEU 9 Cb 0.17 -3.99 0.07 0.00 0.03 0.00 0.00 46.19 42.48 1pkl s LEU 9 CO 0.69 -1.70 0.63 -0.55 0.23 0.00 0.00 176.35 175.65 1pkl s SER 10 N -4.05 -0.81 0.00 2.29 0.15 -1.26 -5.03 113.70 105.00 1pkl s SER 10 Ca 0.60 1.35 0.26 0.00 0.70 0.00 0.00 55.95 58.86 1pkl s SER 10 Cb -0.13 1.26 1.28 0.00 -1.71 0.00 0.00 66.02 66.72 1pkl s SER 10 CO 0.53 -0.23 1.87 2.30 1.20 0.00 0.00 173.24 178.91 1pkl n ILE 11 N 3.96 0.18 0.09 6.45 -5.35 -1.26 -3.16 119.36 120.26 1pkl n ILE 11 Ca -0.19 0.04 0.11 0.00 -0.27 0.00 0.00 62.75 62.45 1pkl n ILE 11 Cb 0.58 -0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 37.83 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 -1.31 0.80 -0.93 4.28 3.72 -1.26 -4.91 117.46 117.85 1pkl n PHE 12 Ca 0.12 0.23 -0.30 0.00 -0.05 0.00 0.00 57.45 57.44 1pkl n PHE 12 Cb 0.22 -0.88 0.16 0.00 -0.94 0.00 0.00 39.48 38.03 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 -5.20 3.12 0.24 4.37 1.01 -1.19 -4.97 116.67 114.04 1pkl s ASP 13 Ca -0.02 1.83 -0.30 0.00 0.71 0.00 0.00 52.55 54.77 1pkl s ASP 13 Cb 0.10 -2.42 -0.09 0.00 1.01 0.00 0.00 42.92 41.53 1pkl s ASP 13 CO 0.81 -2.92 0.94 -2.16 0.21 0.00 0.00 175.17 172.06 1pkl s PRO 14 N -4.75 4.85 0.09 8.23 0.04 -1.26 -5.01 135.00 137.19 1pkl s PRO 14 Ca 0.65 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 1pkl s PRO 14 Cb -0.21 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 1pkl s PRO 14 CO 0.58 0.50 1.06 0.14 0.04 0.00 0.00 177.00 179.32 1pkl s VAL 15 N -1.14 4.30 -0.24 -0.36 -7.23 -1.26 -4.94 120.40 109.52 1pkl s VAL 15 Ca 0.41 1.80 -0.29 0.00 -1.81 0.00 0.00 61.98 62.09 1pkl s VAL 15 Cb -0.26 -4.15 -0.02 0.00 0.56 0.00 0.00 36.38 32.51 1pkl s VAL 15 CO 0.32 0.22 1.62 0.00 -0.31 0.00 0.00 175.10 176.95 1pkl s ALA 16 N 0.39 3.22 -1.01 1.32 0.00 -1.26 -4.83 121.76 119.59 1pkl s ALA 16 Ca 0.51 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.61 1pkl s ALA 16 Cb -0.26 -3.87 -0.22 0.00 0.00 0.00 0.00 23.12 18.77 1pkl s ALA 16 CO 0.31 -2.04 2.04 -1.71 0.00 0.00 0.00 175.76 174.36 1pkl n ASN 17 N 8.64 1.61 -3.64 0.00 5.15 -1.26 -4.74 115.26 121.02 1pkl n ASN 17 Ca 0.19 -2.53 -0.04 0.00 -0.60 0.00 0.00 54.58 51.60 1pkl n ASN 17 Cb 0.46 -1.63 -0.07 0.00 -0.53 0.00 0.00 39.78 38.01 1pkl n ASN 17 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1pkl s TYR 18 N 15.37 -0.78 -0.17 1.20 5.04 -1.26 -5.13 117.35 131.61 1pkl s TYR 18 Ca 0.78 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.98 1pkl s TYR 18 Cb -0.02 0.47 0.02 0.00 0.35 0.00 0.00 41.96 42.78 1pkl s TYR 18 CO 0.19 -0.39 -0.19 0.50 -1.34 0.00 0.00 175.55 174.33 1pkl s ARG 19 N 1.51 2.84 0.01 4.97 3.52 -1.26 -4.87 118.95 125.67 1pkl s ARG 19 Ca -0.09 -0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 54.59 1pkl s ARG 19 Cb -0.04 -2.46 -0.35 0.00 -1.56 0.00 0.00 34.95 30.54 1pkl s ARG 19 CO -0.17 -0.21 0.92 0.00 -0.81 0.00 0.00 175.30 175.03 1pkl h ALA 20 N 7.94 -0.09 -2.76 6.12 0.00 -1.95 -3.44 119.26 125.08 1pkl h ALA 20 Ca -0.44 -0.93 -0.53 0.00 0.00 0.00 0.00 54.91 53.01 1pkl h ALA 20 Cb 1.14 0.25 0.12 0.00 0.00 0.00 0.00 17.79 19.30 1pkl h ALA 20 CO 0.61 0.77 0.45 0.00 0.00 0.00 0.00 179.25 181.08 1pkl s ALA 21 N -2.59 2.46 0.11 0.00 0.00 -1.26 0.73 121.76 121.20 1pkl s ALA 21 Ca -0.11 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.86 1pkl s ALA 21 Cb 0.04 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1pkl s ALA 21 CO 0.93 -1.31 -0.13 1.03 0.00 0.00 0.00 175.76 176.27 1pkl s ARG 22 N -3.52 1.97 -0.14 0.00 1.81 -0.59 -4.87 118.95 113.60 1pkl s ARG 22 Ca 0.76 -1.10 -0.01 0.00 -1.72 0.00 0.00 55.73 53.66 1pkl s ARG 22 Cb -0.29 -2.22 -0.01 0.00 -0.45 0.00 0.00 34.95 31.98 1pkl s ARG 22 CO 0.36 0.49 -0.11 0.42 -0.68 0.00 0.00 175.30 175.78 1pkl s ILE 23 N -1.20 3.13 -0.19 1.52 1.01 -1.26 -1.33 121.20 122.88 1pkl s ILE 23 Ca 0.20 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1pkl s ILE 23 Cb -0.11 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1pkl s ILE 23 CO 0.12 0.51 0.01 -0.63 0.00 0.00 0.00 174.94 174.95 1pkl s ILE 24 N 0.52 4.17 -0.08 2.92 1.01 -0.58 -1.19 121.20 127.96 1pkl s ILE 24 Ca -0.08 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1pkl s ILE 24 Cb -0.15 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 1pkl s ILE 24 CO 0.04 0.45 -0.20 0.00 0.00 0.00 0.00 174.94 175.23 1pkl s THR 26 N -0.02 4.89 0.25 0.00 2.01 -0.44 -0.54 115.64 121.79 1pkl s THR 26 Ca -0.06 1.58 -0.25 0.00 0.31 0.00 0.00 61.69 63.27 1pkl s THR 26 Cb -0.15 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1pkl s THR 26 CO 0.05 0.02 0.86 -0.63 -0.69 0.00 0.00 174.62 174.22 1pkl s ILE 27 N 2.24 4.30 0.00 1.82 -1.09 -0.48 -2.43 121.20 125.55 1pkl s ILE 27 Ca 0.37 1.72 0.00 0.00 -2.23 0.00 0.00 60.65 60.51 1pkl s ILE 27 Cb -0.16 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 1pkl s ILE 27 CO 0.11 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 1pkl n GLY 28 N 0.98 3.05 0.37 6.18 0.00 -1.25 -4.71 105.19 109.81 1pkl n GLY 28 Ca -0.01 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.25 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 1.17 0.00 1.61 0.11 -1.79 0.21 132.00 133.31 1pkl h PRO 29 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1pkl h PRO 29 Cb 0.00 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 30.85 1pkl h PRO 29 CO 0.00 0.78 0.00 0.43 -0.21 0.00 0.00 178.00 179.00 1pkl n SER 30 N -4.48 0.41 -0.18 -2.05 7.64 -0.87 -4.05 113.62 110.04 1pkl n SER 30 Ca 0.14 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1pkl n SER 30 Cb 0.14 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1pkl n SER 30 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pkl n THR 31 N -1.94 0.09 0.09 0.44 -2.24 -0.51 -4.90 114.28 105.31 1pkl n THR 31 Ca 0.03 -0.10 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 1pkl n THR 31 Cb 0.24 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 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 -7.13 -0.78 4.15 -0.78 -3.34 115.11 107.23 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 1.12 0.00 0.14 0.00 0.21 0.00 0.00 27.48 28.95 1pkl h GLN 32 CO 0.00 0.82 0.46 -1.54 -1.93 0.00 0.00 178.83 176.64 1pkl s SER 33 N -6.68 4.62 0.47 -0.69 1.04 -1.26 -4.80 113.70 106.40 1pkl s SER 33 Ca 0.01 2.45 0.18 0.00 0.48 0.00 0.00 55.95 59.07 1pkl s SER 33 Cb 0.10 -2.60 1.16 0.00 0.10 0.00 0.00 66.02 64.78 1pkl s SER 33 CO 0.79 -1.98 2.03 -0.37 0.98 0.00 0.00 173.24 174.69 1pkl h VAL 34 N 0.32 0.97 -0.08 5.02 -1.51 -1.89 -0.96 116.25 118.12 1pkl h VAL 34 Ca -0.49 -0.55 -0.16 0.00 -1.23 0.00 0.00 66.70 64.27 1pkl h VAL 34 Cb 1.31 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 1pkl h VAL 34 CO 0.52 0.15 -0.65 -0.08 -1.23 0.00 0.00 177.57 176.29 1pkl h GLU 35 N 0.00 0.31 -0.09 5.19 4.57 -1.94 -1.37 114.58 121.26 1pkl h GLU 35 Ca -0.00 -0.23 -0.17 0.00 -1.18 0.00 0.00 59.36 57.78 1pkl h GLU 35 Cb 0.29 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1pkl h GLU 35 CO 0.02 0.85 -0.68 0.00 -1.18 0.00 0.00 179.01 178.02 1pkl h ALA 36 N 1.09 0.68 -0.36 2.92 0.00 -1.66 -2.81 119.26 119.12 1pkl h ALA 36 Ca -0.01 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1pkl h ALA 36 Cb 1.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1pkl h ALA 36 CO 0.10 0.75 -0.19 -0.07 0.00 0.00 0.00 179.25 179.84 1pkl h LEU 37 N 0.26 0.79 -0.74 0.00 3.38 -1.03 -1.76 115.31 116.21 1pkl h LEU 37 Ca -0.02 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.59 1pkl h LEU 37 Cb 1.23 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1pkl h LEU 37 CO 0.11 1.03 0.44 0.11 0.09 0.00 0.00 178.44 180.23 1pkl h LYS 38 N 0.55 0.80 -0.12 1.13 1.57 -1.23 0.13 116.57 119.41 1pkl h LYS 38 Ca 0.08 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1pkl h LYS 38 Cb 0.74 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1pkl h LYS 38 CO 0.06 0.53 -0.26 0.78 -0.57 0.00 0.00 179.45 179.99 1pkl h GLY 39 N 0.82 0.24 1.24 3.86 0.00 -1.31 0.23 103.07 108.16 1pkl h GLY 39 Ca 0.32 -0.18 -0.18 0.00 0.00 0.00 0.00 47.33 47.30 1pkl h GLY 39 CO -0.16 0.16 -0.52 1.41 0.00 0.00 0.00 176.54 177.43 1pkl h LEU 40 N 0.20 0.88 -0.05 3.11 4.07 -0.34 -1.66 115.31 121.52 1pkl h LEU 40 Ca 0.03 -0.46 -0.01 0.00 0.08 0.00 0.00 57.88 57.52 1pkl h LEU 40 Cb 0.57 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1pkl h LEU 40 CO 0.04 1.24 0.01 0.40 -1.08 0.00 0.00 178.44 179.05 1pkl h ILE 41 N 0.62 1.22 -0.04 1.22 2.04 -0.63 -0.95 117.51 121.00 1pkl h ILE 41 Ca 0.02 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1pkl h ILE 41 Cb 1.11 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1pkl h ILE 41 CO 0.11 0.18 0.03 1.56 0.00 0.00 0.00 178.15 180.03 1pkl h GLN 42 N -0.16 0.00 0.00 2.37 4.20 -0.95 -2.51 115.11 118.05 1pkl h GLN 42 Ca 0.02 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 1pkl h GLN 42 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1pkl h GLN 42 CO 0.00 0.00 -0.52 0.77 -0.67 0.00 0.00 178.83 178.41 1pkl h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.98 -3.47 113.55 110.57 1pkl h SER 43 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1pkl h SER 43 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1pkl h SER 43 CO -0.00 0.50 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 1pkl n GLY 44 N 1.23 -0.97 3.72 -3.77 0.00 -0.79 -3.91 105.19 100.70 1pkl n GLY 44 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1pkl n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pkl s MET 45 N 0.00 4.43 -0.09 1.61 0.00 -0.43 -4.31 119.30 120.52 1pkl s MET 45 Ca 0.00 1.86 0.07 0.00 0.00 0.00 0.00 55.69 57.62 1pkl s MET 45 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 34.83 31.43 1pkl s MET 45 CO 0.00 -0.23 0.01 0.43 0.00 0.00 0.00 175.02 175.24 1pkl n SER 46 N 3.43 2.87 -4.08 1.11 7.64 -0.34 -4.66 113.62 119.59 1pkl n SER 46 Ca 0.08 -0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.72 1pkl n SER 46 Cb 0.45 0.61 -0.16 0.00 -1.01 0.00 0.00 64.21 64.10 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 -2.21 1.09 -0.34 0.44 1.01 -1.13 -2.13 120.40 117.13 1pkl s VAL 47 Ca -0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1pkl s VAL 47 Cb 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1pkl s VAL 47 CO 0.35 0.32 0.20 0.00 0.00 0.00 0.00 175.10 175.97 1pkl s ALA 48 N -0.00 3.36 -0.16 5.51 0.00 0.01 -1.09 121.76 129.39 1pkl s ALA 48 Ca -0.01 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 1pkl s ALA 48 Cb -0.09 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 1pkl s ALA 48 CO 0.01 -1.09 0.27 0.50 0.00 0.00 0.00 175.76 175.44 1pkl s ARG 49 N 1.63 4.20 -0.33 0.00 3.52 0.30 -1.18 118.95 127.10 1pkl s ARG 49 Ca 0.04 0.05 -0.09 0.00 -0.13 0.00 0.00 55.73 55.61 1pkl s ARG 49 Cb -0.18 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.82 1pkl s ARG 49 CO 0.08 0.29 0.13 -1.64 -0.81 0.00 0.00 175.30 173.35 1pkl s MET 50 N 0.32 3.02 -0.66 5.12 -1.94 0.13 -1.38 119.30 123.91 1pkl s MET 50 Ca 0.16 -0.93 -0.26 0.00 -1.71 0.00 0.00 55.69 52.95 1pkl s MET 50 Cb -0.13 -3.53 0.04 0.00 2.01 0.00 0.00 34.83 33.23 1pkl s MET 50 CO 0.03 -0.53 1.14 1.21 -0.01 0.00 0.00 175.02 176.86 1pkl s ASN 51 N 1.53 6.26 0.00 3.03 3.84 -1.26 -0.53 114.94 127.80 1pkl s ASN 51 Ca 0.02 -0.42 0.18 0.00 0.21 0.00 0.00 52.86 52.86 1pkl s ASN 51 Cb -0.18 -2.51 1.06 0.00 -0.55 0.00 0.00 41.25 39.07 1pkl s ASN 51 CO 0.05 -1.58 1.60 0.49 -2.79 0.00 0.00 177.10 174.86 1pkl n PHE 52 N 8.54 0.00 1.63 0.43 3.01 -0.06 -3.42 117.46 127.59 1pkl n PHE 52 Ca 0.03 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.61 1pkl n PHE 52 Cb 0.48 0.00 0.76 0.00 -0.01 0.00 0.00 39.48 40.71 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 -0.82 0.00 -3.62 4.37 3.41 -1.26 -4.61 113.62 111.09 1pkl n SER 53 Ca 0.13 -0.83 -0.14 0.00 -0.26 0.00 0.00 58.87 57.77 1pkl n SER 53 Cb 0.06 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 1pkl n SER 53 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1pkl s HIS 54 N -2.00 -0.37 0.00 7.33 3.76 -1.22 -5.05 115.29 117.74 1pkl s HIS 54 Ca 0.38 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 1pkl s HIS 54 Cb 0.18 0.28 0.00 0.00 1.11 0.00 0.00 32.58 34.15 1pkl s HIS 54 CO 0.30 -0.60 0.00 0.41 -0.85 0.00 0.00 174.74 174.00 1pkl n GLY 55 N 0.55 -0.40 0.88 -2.22 0.00 -1.26 -4.86 105.19 97.87 1pkl n GLY 55 Ca -0.19 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 1pkl n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pkl n SER 56 N -0.78 0.40 0.21 1.61 3.41 -1.26 -4.92 113.62 112.30 1pkl n SER 56 Ca 0.00 -1.31 0.10 0.00 -0.26 0.00 0.00 58.87 57.40 1pkl n SER 56 Cb 0.00 -0.12 0.32 0.00 -0.26 0.00 0.00 64.21 64.16 1pkl n SER 56 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1pkl h HIS 57 N -0.17 0.00 0.04 7.33 -0.00 -1.98 -2.04 115.15 118.33 1pkl h HIS 57 Ca -0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.06 1pkl h HIS 57 Cb 0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1pkl h HIS 57 CO 0.00 0.17 -1.17 0.93 -0.00 0.00 0.00 177.93 177.86 1pkl h GLU 58 N 0.00 0.09 0.04 2.45 5.08 -1.98 -1.73 114.58 118.53 1pkl h GLU 58 Ca -0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1pkl h GLU 58 Cb 0.91 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1pkl h GLU 58 CO 0.02 1.02 -0.02 -0.92 -1.00 0.00 0.00 179.01 178.11 1pkl h TYR 59 N 0.02 -0.05 0.00 4.33 3.20 -1.88 -2.36 116.97 120.24 1pkl h TYR 59 Ca -0.08 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 1pkl h TYR 59 Cb 1.86 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.14 1pkl h TYR 59 CO 0.02 0.29 -0.25 0.45 -1.64 0.00 0.00 178.16 177.03 1pkl h HIS 60 N -0.39 0.00 -0.40 -3.82 3.86 -1.47 -2.61 115.15 110.33 1pkl h HIS 60 Ca -0.01 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1pkl h HIS 60 Cb 0.36 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1pkl h HIS 60 CO 0.04 0.25 -0.18 0.37 0.86 0.00 0.00 177.93 179.27 1pkl h GLN 61 N 0.00 0.75 -0.47 2.45 5.75 -1.20 -0.77 115.11 121.62 1pkl h GLN 61 Ca -0.00 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.17 1pkl h GLN 61 Cb 0.77 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 1pkl h GLN 61 CO 0.03 0.88 0.11 1.15 -2.65 0.00 0.00 178.83 178.36 1pkl h THR 62 N 0.67 1.24 -0.48 2.39 2.02 -1.05 -0.77 112.91 116.93 1pkl h THR 62 Ca 0.10 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1pkl h THR 62 Cb 0.68 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1pkl h THR 62 CO 0.05 0.30 0.30 0.74 0.37 0.00 0.00 175.52 177.28 1pkl h THR 63 N 0.64 1.14 -0.18 3.16 2.02 -1.26 0.10 112.91 118.52 1pkl h THR 63 Ca 0.15 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1pkl h THR 63 Cb 0.33 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1pkl h THR 63 CO 0.00 0.14 0.10 0.40 0.37 0.00 0.00 175.52 176.54 1pkl h ILE 64 N 0.64 1.02 -0.51 3.11 2.04 -0.91 -0.62 117.51 122.28 1pkl h ILE 64 Ca 0.17 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.87 1pkl h ILE 64 Cb -0.03 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1pkl h ILE 64 CO -0.03 0.04 -0.02 0.78 0.00 0.00 0.00 178.15 178.91 1pkl h ASN 65 N 0.22 0.91 0.25 1.72 2.35 -0.82 -2.44 115.58 117.77 1pkl h ASN 65 Ca 0.07 -0.32 -0.12 0.00 -0.55 0.00 0.00 56.30 55.38 1pkl h ASN 65 Cb -0.00 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1pkl h ASN 65 CO -0.04 1.01 -0.46 0.78 -1.65 0.00 0.00 177.43 177.07 1pkl h ASN 66 N 0.79 0.28 -0.22 5.81 2.35 -0.69 -1.61 115.58 122.29 1pkl h ASN 66 Ca 0.14 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1pkl h ASN 66 Cb 0.56 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1pkl h ASN 66 CO 0.03 0.70 -0.12 0.58 -1.65 0.00 0.00 177.43 176.97 1pkl h VAL 67 N 0.21 1.31 -0.59 2.81 2.07 -1.03 -0.97 116.25 120.06 1pkl h VAL 67 Ca 0.01 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1pkl h VAL 67 Cb 0.90 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1pkl h VAL 67 CO 0.07 0.37 0.32 0.03 0.02 0.00 0.00 177.57 178.39 1pkl h ARG 68 N 0.18 0.83 -0.17 1.57 2.47 -1.32 -0.28 114.38 117.66 1pkl h ARG 68 Ca 0.05 -0.10 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1pkl h ARG 68 Cb 0.63 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1pkl h ARG 68 CO 0.04 0.63 -0.01 0.37 0.56 0.00 0.00 179.97 181.55 1pkl h GLN 69 N 0.80 0.30 -0.64 0.04 4.15 -1.26 0.65 115.11 119.15 1pkl h GLN 69 Ca 0.21 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.56 1pkl h GLN 69 Cb 0.05 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1pkl h GLN 69 CO -0.03 0.54 0.39 0.00 -1.93 0.00 0.00 178.83 177.80 1pkl h ALA 70 N 0.75 0.84 -0.29 3.38 0.00 -1.01 -0.88 119.26 122.06 1pkl h ALA 70 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1pkl h ALA 70 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pkl h ALA 70 CO 0.01 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1pkl h ALA 71 N 1.29 0.39 -0.03 0.00 0.00 -0.99 -2.55 119.26 117.37 1pkl h ALA 71 Ca 0.26 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1pkl h ALA 71 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1pkl h ALA 71 CO -0.12 0.13 -0.10 0.00 0.00 0.00 0.00 179.25 179.16 1pkl h ALA 72 N 0.83 -0.09 -0.64 0.00 0.00 -0.51 0.11 119.26 118.96 1pkl h ALA 72 Ca 0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pkl h ALA 72 Cb 0.43 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1pkl h ALA 72 CO 0.01 -0.58 0.28 0.93 0.00 0.00 0.00 179.25 179.89 1pkl h GLU 73 N -0.16 0.92 -0.00 0.00 5.08 -1.18 -1.63 114.58 117.61 1pkl h GLU 73 Ca 0.05 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1pkl h GLU 73 Cb 0.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1pkl h GLU 73 CO -0.12 0.74 -0.03 1.28 -1.00 0.00 0.00 179.01 179.87 1pkl n LEU 74 N -4.33 0.11 -1.23 1.33 4.77 -0.96 -4.93 117.00 111.75 1pkl n LEU 74 Ca 0.06 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1pkl n LEU 74 Cb 0.15 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1pkl n LEU 74 CO 0.39 0.02 -0.14 0.61 -1.33 0.00 0.00 177.39 176.94 1pkl n GLY 75 N 1.29 0.08 3.70 -0.72 0.00 0.28 -5.03 105.19 104.79 1pkl n GLY 75 Ca 0.14 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1pkl n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pkl s VAL 76 N -2.55 1.09 -0.19 1.61 -7.23 -0.66 -5.02 120.40 107.46 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 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.71 1pkl s VAL 76 CO 0.00 0.00 -0.18 0.20 -0.31 0.00 0.00 175.10 174.81 1pkl s ASN 77 N -3.81 3.29 -0.10 4.85 0.01 -1.26 -4.38 114.94 113.53 1pkl s ASN 77 Ca 0.11 -0.65 0.04 0.00 -0.71 0.00 0.00 52.86 51.65 1pkl s ASN 77 Cb 0.02 -1.51 -0.01 0.00 0.41 0.00 0.00 41.25 40.17 1pkl s ASN 77 CO 0.06 -0.01 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.80 1pkl s ILE 78 N 1.30 2.30 0.51 0.60 -1.09 -1.26 -4.83 121.20 118.73 1pkl s ILE 78 Ca 0.05 -0.94 -0.20 0.00 -2.23 0.00 0.00 60.65 57.33 1pkl s ILE 78 Cb -0.13 -1.89 -0.07 0.00 -1.58 0.00 0.00 42.46 38.78 1pkl s ILE 78 CO -0.12 0.56 1.06 0.00 -1.23 0.00 0.00 174.94 175.21 1pkl s ALA 79 N 0.21 2.81 -0.17 9.38 0.00 -0.91 -4.90 121.76 128.18 1pkl s ALA 79 Ca -0.13 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1pkl s ALA 79 Cb -0.16 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1pkl s ALA 79 CO 0.07 -0.47 -0.20 0.42 0.00 0.00 0.00 175.76 175.59 1pkl s ILE 80 N -1.96 2.02 -0.07 0.00 1.01 -1.26 -0.81 121.20 120.13 1pkl s ILE 80 Ca 0.68 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1pkl s ILE 80 Cb -0.18 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1pkl s ILE 80 CO 0.23 0.53 -0.14 0.00 0.00 0.00 0.00 174.94 175.56 1pkl s ALA 81 N 1.27 2.64 -0.38 9.38 0.00 -0.32 -1.29 121.76 133.06 1pkl s ALA 81 Ca 0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 1pkl s ALA 81 Cb -0.13 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.00 1pkl s ALA 81 CO -0.12 0.46 0.20 -1.17 0.00 0.00 0.00 175.76 175.12 1pkl s LEU 82 N -0.39 4.77 -0.38 0.00 0.20 -0.80 -0.69 118.68 121.38 1pkl s LEU 82 Ca 0.04 -1.23 -0.21 0.00 0.69 0.00 0.00 54.13 53.41 1pkl s LEU 82 Cb -0.12 -1.96 0.01 0.00 -0.43 0.00 0.00 46.19 43.68 1pkl s LEU 82 CO 0.02 -0.43 0.69 -0.62 -0.29 0.00 0.00 176.35 175.72 1pkl s ASP 83 N 1.71 6.44 0.57 3.68 -1.08 0.31 -1.10 116.67 127.20 1pkl s ASP 83 Ca 0.01 0.11 -0.19 0.00 -0.52 0.00 0.00 52.55 51.96 1pkl s ASP 83 Cb -0.21 -2.35 -0.04 0.00 -1.46 0.00 0.00 42.92 38.86 1pkl s ASP 83 CO 0.04 -0.68 1.20 -0.89 0.52 0.00 0.00 175.17 175.35 1pkl s THR 84 N 2.88 2.73 0.09 1.71 2.01 -0.64 -0.88 115.64 123.54 1pkl s THR 84 Ca 0.26 0.47 -0.09 0.00 0.31 0.00 0.00 61.69 62.64 1pkl s THR 84 Cb -0.14 -3.20 -0.23 0.00 0.01 0.00 0.00 72.50 68.94 1pkl s THR 84 CO 0.17 -0.09 1.21 0.50 -0.69 0.00 0.00 174.62 175.72 1pkl h LYS 85 N 1.07 0.52 -0.67 4.92 3.64 -1.90 -3.39 116.57 120.75 1pkl h LYS 85 Ca -0.50 -0.62 0.07 0.00 -1.27 0.00 0.00 60.65 58.33 1pkl h LYS 85 Cb 1.29 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 33.27 1pkl h LYS 85 CO 0.56 1.24 -0.18 0.41 -2.27 0.00 0.00 179.45 179.21 1pkl n GLY 86 N 1.16 -2.06 3.77 5.01 0.00 -1.26 -4.83 105.19 106.99 1pkl n GLY 86 Ca -0.10 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 1pkl n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pkl s PRO 87 N -2.21 4.15 0.05 1.61 0.04 -1.26 -4.86 135.00 132.52 1pkl s PRO 87 Ca 0.00 2.34 0.05 0.00 0.04 0.00 0.00 61.00 63.44 1pkl s PRO 87 Cb 0.00 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 1pkl s PRO 87 CO 0.00 -0.41 -0.15 -2.00 0.04 0.00 0.00 177.00 174.49 1pkl s GLU 88 N -2.03 0.92 -0.14 4.56 2.12 -1.26 -5.04 118.70 117.84 1pkl s GLU 88 Ca 0.53 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 55.03 1pkl s GLU 88 Cb -0.42 -0.95 0.01 0.00 0.26 0.00 0.00 34.13 33.03 1pkl s GLU 88 CO 0.56 0.23 -0.21 0.42 -0.54 0.00 0.00 175.26 175.72 1pkl s ILE 89 N -0.99 2.22 0.03 -3.70 1.01 -1.26 -4.91 121.20 113.59 1pkl s ILE 89 Ca 0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 1pkl s ILE 89 Cb -0.09 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 1pkl s ILE 89 CO 0.02 0.54 0.06 0.00 0.00 0.00 0.00 174.94 175.56 1pkl s ARG 90 N 0.72 0.53 0.90 2.79 1.70 -1.26 -0.74 118.95 123.59 1pkl s ARG 90 Ca -0.09 -0.77 -0.13 0.00 -0.47 0.00 0.00 55.73 54.27 1pkl s ARG 90 Cb -0.16 0.20 0.14 0.00 -0.57 0.00 0.00 34.95 34.56 1pkl s ARG 90 CO 0.00 -0.12 1.19 0.95 -1.08 0.00 0.00 175.30 176.25 1pkl s THR 91 N -2.51 1.98 0.00 4.99 -4.23 -0.79 -1.51 115.64 113.57 1pkl s THR 91 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1pkl s THR 91 Cb -0.02 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1pkl s THR 91 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1pkl n GLY 92 N -2.92 0.24 3.95 3.99 0.00 -0.65 -3.94 105.19 105.85 1pkl n GLY 92 Ca 0.09 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 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 1.10 2.80 0.17 1.61 -0.21 0.41 -2.33 119.66 123.21 1pkl s GLN 93 Ca 0.00 -0.42 0.09 0.00 0.02 0.00 0.00 55.36 55.05 1pkl s GLN 93 Cb 0.00 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 1pkl s GLN 93 CO 0.00 -0.60 -0.19 -0.06 -2.12 0.00 0.00 175.29 172.32 1pkl s PHE 94 N -2.79 1.91 -0.35 0.91 0.08 -1.26 -2.21 117.98 114.26 1pkl s PHE 94 Ca 0.53 -0.45 -0.29 0.00 0.12 0.00 0.00 56.93 56.85 1pkl s PHE 94 Cb -0.10 -0.95 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 1pkl s PHE 94 CO 0.41 0.37 1.32 0.08 -0.10 0.00 0.00 175.22 177.30 1pkl s VAL 95 N -1.99 4.07 0.00 -0.44 1.01 0.45 -1.53 120.40 121.97 1pkl s VAL 95 Ca 0.17 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1pkl s VAL 95 Cb -0.06 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1pkl s VAL 95 CO 0.07 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.16 1pkl n GLY 96 N 4.62 0.80 2.28 4.51 0.00 -1.26 -4.18 105.19 111.96 1pkl n GLY 96 Ca 0.15 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.36 0.34 3.35 -0.02 0.00 -0.58 -4.92 105.19 101.00 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 -2.12 -0.31 -0.30 1.61 2.15 -1.26 -3.85 116.67 112.59 1pkl s ASP 98 Ca 0.00 -0.25 0.06 0.00 0.43 0.00 0.00 52.55 52.79 1pkl s ASP 98 Cb 0.00 0.51 0.19 0.00 -0.30 0.00 0.00 42.92 43.32 1pkl s ASP 98 CO 0.00 -0.89 0.58 0.00 -0.17 0.00 0.00 175.17 174.69 1pkl s ALA 99 N -3.79 -2.27 -0.66 3.66 0.00 -0.82 -4.45 121.76 113.42 1pkl s ALA 99 Ca 0.03 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 52.60 1pkl s ALA 99 Cb 0.01 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.62 1pkl s ALA 99 CO -0.12 -1.86 1.56 0.08 0.00 0.00 0.00 175.76 175.41 1pkl s VAL 100 N 2.70 3.56 0.21 0.00 1.01 -1.26 -2.65 120.40 123.97 1pkl s VAL 100 Ca 0.11 0.34 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 1pkl s VAL 100 Cb -0.10 -4.42 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 1pkl s VAL 100 CO -0.24 -1.35 0.80 -0.04 0.00 0.00 0.00 175.10 174.26 1pkl s MET 101 N 6.30 4.51 -0.01 2.72 -1.94 -0.85 -4.93 119.30 125.09 1pkl s MET 101 Ca 0.51 1.13 0.03 0.00 -1.71 0.00 0.00 55.69 55.65 1pkl s MET 101 Cb -0.10 -3.09 -0.00 0.00 2.01 0.00 0.00 34.83 33.64 1pkl s MET 101 CO 0.19 0.48 -0.09 -1.21 -0.01 0.00 0.00 175.02 174.37 1pkl s GLU 102 N -1.50 0.82 0.25 2.03 2.02 -1.26 -1.84 118.70 119.21 1pkl s GLU 102 Ca 0.40 -0.32 -0.28 0.00 0.02 0.00 0.00 54.97 54.79 1pkl s GLU 102 Cb -0.21 -0.79 -0.15 0.00 0.10 0.00 0.00 34.13 33.08 1pkl s GLU 102 CO 0.25 0.17 0.81 -2.13 0.02 0.00 0.00 175.26 174.38 1pkl n ARG 103 N 2.99 0.78 -0.06 1.61 0.63 -1.26 -1.87 116.66 119.49 1pkl n ARG 103 Ca -0.15 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1pkl n ARG 103 Cb 0.56 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.98 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 1.56 1.82 3.73 5.14 0.00 0.42 -4.94 105.19 112.91 1pkl n GLY 104 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1pkl n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl s ALA 105 N -2.32 1.62 -0.10 4.61 0.00 -0.78 -4.72 121.76 120.08 1pkl s ALA 105 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1pkl s ALA 105 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 1pkl s ALA 105 CO 0.00 -2.29 -0.14 0.99 0.00 0.00 0.00 175.76 174.32 1pkl s THR 106 N -2.99 3.00 0.20 0.00 2.01 -1.26 -0.80 115.64 115.79 1pkl s THR 106 Ca 0.63 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 1pkl s THR 106 Cb -0.17 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1pkl s THR 106 CO 0.56 0.55 0.14 0.00 -0.69 0.00 0.00 174.62 175.19 1pkl s TYR 108 N -4.14 1.72 -0.19 0.00 1.51 0.18 -0.98 117.35 115.45 1pkl s TYR 108 Ca 0.37 -0.82 -0.05 0.00 -1.01 0.00 0.00 57.07 55.56 1pkl s TYR 108 Cb 0.07 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 1pkl s TYR 108 CO 0.11 -0.47 -0.01 0.14 -1.11 0.00 0.00 175.55 174.21 1pkl s VAL 109 N 1.22 3.98 0.25 0.71 -7.23 -0.81 -1.56 120.40 116.97 1pkl s VAL 109 Ca -0.03 -0.31 0.06 0.00 -1.81 0.00 0.00 61.98 59.89 1pkl s VAL 109 Cb -0.14 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.96 1pkl s VAL 109 CO -0.04 0.45 -0.07 0.28 -0.31 0.00 0.00 175.10 175.41 1pkl s THR 110 N 0.81 1.51 -1.49 5.32 -1.32 0.56 -1.35 115.64 119.68 1pkl s THR 110 Ca 0.00 -2.12 0.22 0.00 -1.21 0.00 0.00 61.69 58.59 1pkl s THR 110 Cb -0.14 -2.32 -0.10 0.00 -1.51 0.00 0.00 72.50 68.43 1pkl s THR 110 CO 0.02 -0.39 1.04 0.41 -2.21 0.00 0.00 174.62 173.49 1pkl n THR 111 N -0.49 0.00 -1.80 5.08 -1.04 -0.06 -2.08 114.28 113.88 1pkl n THR 111 Ca -0.06 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 1pkl n THR 111 Cb 0.63 1.05 -0.03 0.00 -1.82 0.00 0.00 70.33 70.16 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 -2.75 6.30 0.64 8.00 2.15 -1.26 -4.88 116.67 124.88 1pkl s ASP 112 Ca 0.13 2.28 0.36 0.00 0.43 0.00 0.00 52.55 55.75 1pkl s ASP 112 Cb 0.17 -2.53 2.01 0.00 -0.30 0.00 0.00 42.92 42.28 1pkl s ASP 112 CO 0.72 -1.22 2.21 -0.65 -0.17 0.00 0.00 175.17 176.05 1pkl h PRO 113 N 11.20 0.00 0.00 4.34 0.11 -1.98 -2.68 132.00 142.99 1pkl h PRO 113 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1pkl h PRO 113 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pkl h PRO 113 CO 0.96 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.61 1pkl h ALA 114 N 1.82 1.21 -0.42 -0.75 0.00 -2.00 -2.90 119.26 116.22 1pkl h ALA 114 Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1pkl h ALA 114 Cb 0.24 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1pkl h ALA 114 CO -0.00 0.17 0.13 1.19 0.00 0.00 0.00 179.25 180.74 1pkl n PHE 115 N -3.57 1.41 0.42 0.00 3.01 -1.01 -4.49 117.46 113.22 1pkl n PHE 115 Ca -0.01 -0.71 -0.19 0.00 1.01 0.00 0.00 57.45 57.55 1pkl n PHE 115 Cb 0.28 -0.45 -0.09 0.00 -0.01 0.00 0.00 39.48 39.21 1pkl n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pkl h ALA 116 N 2.60 -1.04 -0.01 4.37 0.00 -1.73 -3.21 119.26 120.23 1pkl h ALA 116 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pkl h ALA 116 Cb 1.61 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1pkl h ALA 116 CO 0.41 -1.07 -0.46 -0.40 0.00 0.00 0.00 179.25 177.72 1pkl n ASP 117 N -5.53 1.95 -1.15 0.00 5.68 -1.26 0.16 116.55 116.40 1pkl n ASP 117 Ca -0.14 -1.47 0.10 0.00 -0.50 0.00 0.00 54.79 52.78 1pkl n ASP 117 Cb 0.42 0.45 0.28 0.00 -1.14 0.00 0.00 41.12 41.13 1pkl n ASP 117 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1pkl n LYS 118 N -0.08 2.45 -1.65 0.11 5.02 -1.23 -4.24 118.16 118.55 1pkl n LYS 118 Ca 0.09 -2.24 -0.43 0.00 -2.02 0.00 0.00 58.31 53.72 1pkl n LYS 118 Cb 0.46 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1pkl n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pkl n GLY 119 N 1.50 0.14 3.21 0.72 0.00 -0.94 -4.65 105.19 105.17 1pkl n GLY 119 Ca 0.21 0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 1pkl n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pkl s THR 120 N -1.14 0.02 0.01 2.61 -4.23 -0.37 -0.41 115.64 112.14 1pkl s THR 120 Ca 0.59 -1.94 0.29 0.00 -1.18 0.00 0.00 61.69 59.45 1pkl s THR 120 Cb -0.60 -2.38 0.29 0.00 1.34 0.00 0.00 72.50 71.16 1pkl s THR 120 CO 0.60 -0.10 1.88 0.07 -0.54 0.00 0.00 174.62 176.53 1pkl h LYS 121 N 2.65 0.00 0.06 3.99 2.10 -1.90 -2.63 116.57 120.83 1pkl h LYS 121 Ca -0.35 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.97 1pkl h LYS 121 Cb 1.24 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.53 1pkl h LYS 121 CO 0.53 0.00 -1.89 -0.25 -2.00 0.00 0.00 179.45 175.85 1pkl n ASP 122 N -2.53 1.44 -3.67 7.07 8.00 -1.26 -4.70 116.55 120.90 1pkl n ASP 122 Ca -0.01 0.29 -0.08 0.00 0.71 0.00 0.00 54.79 55.70 1pkl n ASP 122 Cb 0.09 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.71 1pkl n ASP 122 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1pkl s LYS 123 N -2.57 0.49 0.22 -1.24 2.20 -0.99 0.50 119.74 118.35 1pkl s LYS 123 Ca -0.14 1.05 -0.06 0.00 -0.36 0.00 0.00 55.97 56.46 1pkl s LYS 123 Cb 0.07 0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1pkl s LYS 123 CO 0.79 -0.18 0.26 -0.59 -0.36 0.00 0.00 175.35 175.28 1pkl s PHE 124 N 1.89 0.84 0.34 4.03 -0.71 -0.60 -1.23 117.98 122.54 1pkl s PHE 124 Ca -0.08 -1.12 -0.01 0.00 -1.04 0.00 0.00 56.93 54.68 1pkl s PHE 124 Cb -0.09 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.42 1pkl s PHE 124 CO -0.16 -0.77 0.57 -0.47 -1.34 0.00 0.00 175.22 173.05 1pkl s TYR 125 N -4.10 3.50 -0.20 3.49 5.04 -1.25 -0.32 117.35 123.50 1pkl s TYR 125 Ca 0.32 0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 55.38 1pkl s TYR 125 Cb 0.04 -1.99 0.10 0.00 0.35 0.00 0.00 41.96 40.46 1pkl s TYR 125 CO 0.11 0.10 0.30 0.42 -1.34 0.00 0.00 175.55 175.13 1pkl s ILE 126 N -2.29 -0.46 -1.92 3.14 1.01 -0.89 -1.64 121.20 118.16 1pkl s ILE 126 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1pkl s ILE 126 Cb -0.10 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1pkl s ILE 126 CO 0.35 -0.09 0.39 -0.90 0.00 0.00 0.00 174.94 174.69 1pkl n ASP 127 N 5.35 0.00 -4.43 3.58 5.68 -0.57 -4.49 116.55 121.67 1pkl n ASP 127 Ca -0.05 0.00 -0.44 0.00 -0.50 0.00 0.00 54.79 53.80 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 -1.95 2.87 -0.89 2.11 5.04 -1.26 -4.91 117.35 118.35 1pkl s TYR 128 Ca 0.00 -0.86 0.01 0.00 -2.44 0.00 0.00 57.07 53.78 1pkl s TYR 128 Cb 0.00 -4.22 0.06 0.00 0.35 0.00 0.00 41.96 38.15 1pkl s TYR 128 CO 0.00 -1.52 1.01 1.04 -1.34 0.00 0.00 175.55 174.74 1pkl n GLN 129 N 7.06 0.01 -0.13 4.97 6.02 -1.26 -1.27 117.38 132.77 1pkl n GLN 129 Ca 0.01 0.48 0.07 0.00 -0.01 0.00 0.00 57.00 57.55 1pkl n GLN 129 Cb 0.46 -1.56 0.14 0.00 1.02 0.00 0.00 30.24 30.30 1pkl n GLN 129 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pkl n ASN 130 N -1.51 2.78 -0.32 1.08 3.02 -1.26 -4.68 115.26 114.36 1pkl n ASN 130 Ca -0.00 -1.83 0.18 0.00 -0.03 0.00 0.00 54.58 52.90 1pkl n ASN 130 Cb 0.03 -0.17 0.36 0.00 -0.61 0.00 0.00 39.78 39.39 1pkl n ASN 130 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pkl h LEU 131 N 2.71 -0.13 -0.64 3.41 5.85 -1.56 -0.86 115.31 124.09 1pkl h LEU 131 Ca 0.00 0.25 -0.13 0.00 0.84 0.00 0.00 57.88 58.84 1pkl h LEU 131 Cb 0.72 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1pkl h LEU 131 CO 0.00 -0.30 -0.30 0.28 -0.34 0.00 0.00 178.44 177.78 1pkl h SER 132 N 0.08 0.76 0.79 1.25 0.02 -1.84 -2.18 113.55 112.44 1pkl h SER 132 Ca 0.64 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1pkl h SER 132 Cb 1.41 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1pkl h SER 132 CO -0.79 1.01 -0.31 2.29 -1.14 0.00 0.00 176.83 177.89 1pkl n LYS 133 N -4.08 0.06 -0.12 3.45 2.85 -0.38 -4.22 118.16 115.73 1pkl n LYS 133 Ca -0.01 0.03 -0.23 0.00 -1.05 0.00 0.00 58.31 57.05 1pkl n LYS 133 Cb 0.48 -1.55 -0.09 0.00 -0.65 0.00 0.00 35.03 33.22 1pkl n LYS 133 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1pkl n VAL 134 N -1.64 1.52 -2.20 0.58 0.31 -0.90 -4.97 118.33 111.03 1pkl n VAL 134 Ca 0.06 -0.18 -0.40 0.00 -0.01 0.00 0.00 64.34 63.81 1pkl n VAL 134 Cb 0.36 -2.02 -0.02 0.00 -0.91 0.00 0.00 33.84 31.25 1pkl n VAL 134 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pkl s VAL 135 N -2.50 2.92 0.30 2.52 1.01 -0.82 -4.85 120.40 118.97 1pkl s VAL 135 Ca -0.33 0.86 0.10 0.00 0.00 0.00 0.00 61.98 62.61 1pkl s VAL 135 Cb 0.10 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 1pkl s VAL 135 CO 0.49 0.16 -0.13 -0.13 0.00 0.00 0.00 175.10 175.48 1pkl s ARG 136 N -1.98 1.71 0.32 2.72 0.52 -1.26 -4.87 118.95 116.11 1pkl s ARG 136 Ca 0.52 -1.84 -0.29 0.00 -0.52 0.00 0.00 55.73 53.61 1pkl s ARG 136 Cb -0.36 -1.64 -0.10 0.00 0.52 0.00 0.00 34.95 33.37 1pkl s ARG 136 CO 0.47 0.21 1.38 -1.25 0.02 0.00 0.00 175.30 176.12 1pkl s PRO 137 N -3.59 4.28 0.00 3.54 0.04 -1.26 -2.22 135.00 135.79 1pkl s PRO 137 Ca 0.31 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1pkl s PRO 137 Cb -0.00 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1pkl s PRO 137 CO 0.15 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1pkl n GLY 138 N 1.07 3.33 3.66 0.56 0.00 -0.53 -4.97 105.19 108.30 1pkl n GLY 138 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.65 2.44 0.17 1.61 0.02 -0.94 -4.79 114.94 112.80 1pkl s ASN 139 Ca 0.00 1.21 0.11 0.00 -1.02 0.00 0.00 52.86 53.16 1pkl s ASN 139 Cb 0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 41.25 39.34 1pkl s ASN 139 CO 0.00 -3.25 -0.25 -0.31 0.02 0.00 0.00 177.10 173.32 1pkl s TYR 140 N -2.92 2.32 -0.16 2.20 2.02 -1.26 -1.93 117.35 117.61 1pkl s TYR 140 Ca 0.66 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 1pkl s TYR 140 Cb -0.19 -1.18 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1pkl s TYR 140 CO 0.58 0.45 -0.09 0.42 -1.57 0.00 0.00 175.55 175.34 1pkl s ILE 141 N -1.47 1.35 -0.16 2.71 1.01 -0.36 -4.06 121.20 120.23 1pkl s ILE 141 Ca 0.19 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 1pkl s ILE 141 Cb -0.09 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1pkl s ILE 141 CO 0.09 0.24 0.25 -0.31 0.00 0.00 0.00 174.94 175.21 1pkl s TYR 142 N 1.54 3.47 0.01 3.97 2.02 -0.02 -1.48 117.35 126.87 1pkl s TYR 142 Ca 0.02 0.55 0.05 0.00 -0.37 0.00 0.00 57.07 57.31 1pkl s TYR 142 Cb -0.15 -2.28 -0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1pkl s TYR 142 CO -0.09 0.30 -0.14 0.42 -1.57 0.00 0.00 175.55 174.47 1pkl s ILE 143 N 0.29 1.12 -0.51 2.71 1.01 0.43 0.44 121.20 126.69 1pkl s ILE 143 Ca 0.15 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 1pkl s ILE 143 Cb -0.13 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1pkl s ILE 143 CO 0.03 0.17 0.63 -0.67 0.00 0.00 0.00 174.94 175.10 1pkl n ASP 144 N 2.34 -7.88 -3.16 3.58 2.03 0.33 -1.46 116.55 112.33 1pkl n ASP 144 Ca -0.16 0.37 -0.23 0.00 0.52 0.00 0.00 54.79 55.29 1pkl n ASP 144 Cb 0.55 -5.32 0.04 0.00 -0.72 0.00 0.00 41.12 35.67 1pkl n ASP 144 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1pkl n ASP 145 N -0.69 -5.81 -0.04 1.67 2.03 -1.26 -1.67 116.55 110.78 1pkl n ASP 145 Ca 0.08 -0.35 -0.01 0.00 0.52 0.00 0.00 54.79 55.04 1pkl n ASP 145 Cb 0.47 -4.68 -0.00 0.00 -0.72 0.00 0.00 41.12 36.19 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 -1.54 0.09 0.11 0.27 0.00 -1.24 -4.84 105.19 98.04 1pkl n GLY 146 Ca -0.08 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 1.36 -3.41 -0.61 2.04 -1.25 -3.43 117.51 112.21 1pkl h ILE 147 Ca -0.01 -1.28 -0.59 0.00 1.00 0.00 0.00 64.86 63.98 1pkl h ILE 147 Cb 0.93 1.97 -0.09 0.00 -0.74 0.00 0.00 36.82 38.89 1pkl h ILE 147 CO 0.02 0.37 -0.02 -0.22 0.00 0.00 0.00 178.15 178.29 1pkl s LEU 148 N -9.11 4.20 -0.12 1.44 2.96 -0.53 -4.97 118.68 112.55 1pkl s LEU 148 Ca -0.15 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 1pkl s LEU 148 Cb 0.04 -2.78 0.02 0.00 0.50 0.00 0.00 46.19 43.97 1pkl s LEU 148 CO 0.73 -0.15 -0.13 -0.51 -1.32 0.00 0.00 176.35 174.97 1pkl s ILE 149 N 1.34 1.42 0.17 6.68 2.07 -1.26 -0.43 121.20 131.19 1pkl s ILE 149 Ca 0.27 -0.57 0.07 0.00 -1.41 0.00 0.00 60.65 59.01 1pkl s ILE 149 Cb -0.16 -1.32 -0.04 0.00 0.13 0.00 0.00 42.46 41.07 1pkl s ILE 149 CO 0.11 0.43 -0.01 -0.76 -1.91 0.00 0.00 174.94 172.80 1pkl s LEU 150 N 1.24 3.30 -0.18 8.50 1.43 -0.55 -2.12 118.68 130.30 1pkl s LEU 150 Ca -0.02 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1pkl s LEU 150 Cb -0.14 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.16 1pkl s LEU 150 CO -0.05 0.09 -0.13 -1.58 0.23 0.00 0.00 176.35 174.91 1pkl s GLN 151 N -2.92 2.29 0.52 1.70 0.74 -0.60 -1.22 119.66 120.16 1pkl s GLN 151 Ca 0.27 -0.77 -0.23 0.00 0.05 0.00 0.00 55.36 54.68 1pkl s GLN 151 Cb -0.09 -2.36 -0.06 0.00 1.10 0.00 0.00 33.01 31.60 1pkl s GLN 151 CO 0.18 -0.34 1.39 0.08 -0.55 0.00 0.00 175.29 176.06 1pkl s VAL 152 N 1.39 2.01 0.00 1.34 1.01 -0.81 -1.77 120.40 123.57 1pkl s VAL 152 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1pkl s VAL 152 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1pkl s VAL 152 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.00 1pkl n GLN 153 N -0.80 1.22 -3.82 2.72 6.02 0.56 -1.45 117.38 121.83 1pkl n GLN 153 Ca 0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.02 1pkl n GLN 153 Cb 0.44 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 30.95 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 -2.59 -0.11 -0.25 1.08 1.04 -1.20 -4.74 113.70 106.92 1pkl s SER 154 Ca 0.00 -0.70 -0.08 0.00 0.48 0.00 0.00 55.95 55.65 1pkl s SER 154 Cb 0.00 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1pkl s SER 154 CO 0.00 -1.23 0.10 -1.00 0.98 0.00 0.00 173.24 172.09 1pkl s HIS 155 N -2.95 3.13 -0.08 5.02 3.76 -1.26 -0.82 115.29 122.08 1pkl s HIS 155 Ca 0.15 -0.25 -0.24 0.00 -0.15 0.00 0.00 55.06 54.57 1pkl s HIS 155 Cb -0.04 -2.26 -0.20 0.00 1.11 0.00 0.00 32.58 31.20 1pkl s HIS 155 CO 0.06 -0.27 0.86 0.93 -0.85 0.00 0.00 174.74 175.47 1pkl h GLU 156 N 8.13 -0.06 0.00 1.40 4.39 -1.54 -3.48 114.58 123.42 1pkl h GLU 156 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1pkl h GLU 156 Cb 1.18 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1pkl h GLU 156 CO 0.58 0.59 0.00 -0.40 -1.16 0.00 0.00 179.01 178.62 1pkl n ASP 157 N -4.77 0.00 -1.17 1.42 5.68 -1.22 -4.98 116.55 111.51 1pkl n ASP 157 Ca -0.08 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.25 1pkl n ASP 157 Cb 0.33 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.52 1pkl n ASP 157 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1pkl n GLU 158 N 0.00 2.92 0.00 0.11 1.02 -1.26 -3.87 120.64 119.57 1pkl n GLU 158 Ca 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 57.16 55.50 1pkl n GLU 158 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1pkl n GLU 158 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pkl n GLN 159 N 0.37 5.21 -4.41 3.49 6.02 -1.26 -4.93 117.38 121.87 1pkl n GLN 159 Ca 0.14 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.83 1pkl n GLN 159 Cb 0.70 -0.44 -0.11 0.00 1.02 0.00 0.00 30.24 31.41 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 -0.01 3.17 -0.01 5.09 2.01 -1.25 -0.89 115.64 123.75 1pkl s THR 160 Ca 0.00 -1.18 0.06 0.00 0.31 0.00 0.00 61.69 60.87 1pkl s THR 160 Cb 0.00 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 1pkl s THR 160 CO 0.00 0.23 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.22 1pkl s LEU 161 N -1.82 2.03 -0.23 4.42 1.43 -0.45 -1.33 118.68 122.73 1pkl s LEU 161 Ca 0.18 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 1pkl s LEU 161 Cb -0.11 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1pkl s LEU 161 CO 0.09 0.22 0.41 -0.70 0.23 0.00 0.00 176.35 176.61 1pkl s GLU 162 N -0.42 4.10 0.20 1.70 2.12 -0.00 -1.92 118.70 124.48 1pkl s GLU 162 Ca 0.07 0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.63 1pkl s GLU 162 Cb -0.07 -3.60 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 1pkl s GLU 162 CO -0.01 -0.17 -0.13 0.00 -0.54 0.00 0.00 175.26 174.41 1pkl s THR 164 N -3.03 3.48 -0.50 0.00 2.01 -0.73 -1.26 115.64 115.60 1pkl s THR 164 Ca 0.22 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 1pkl s THR 164 Cb 0.00 -2.45 0.03 0.00 0.01 0.00 0.00 72.50 70.09 1pkl s THR 164 CO 0.06 0.55 1.05 -0.69 -0.69 0.00 0.00 174.62 174.91 1pkl s VAL 165 N -0.16 4.28 -0.71 3.82 1.01 0.02 -1.56 120.40 127.08 1pkl s VAL 165 Ca 0.01 0.88 0.26 0.00 0.00 0.00 0.00 61.98 63.13 1pkl s VAL 165 Cb -0.13 -4.57 0.28 0.00 0.00 0.00 0.00 36.38 31.96 1pkl s VAL 165 CO 0.03 -1.03 1.77 0.35 0.00 0.00 0.00 175.10 176.22 1pkl n THR 166 N 6.60 0.60 -3.66 3.92 -2.24 -0.90 0.16 114.28 118.75 1pkl n THR 166 Ca 0.08 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1pkl n THR 166 Cb 0.49 -0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 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 -4.38 -0.52 0.09 3.42 4.22 -1.26 -4.68 114.94 111.84 1pkl s ASN 167 Ca 0.10 0.83 -0.31 0.00 -2.14 0.00 0.00 52.86 51.34 1pkl s ASN 167 Cb 0.12 0.84 -0.07 0.00 1.28 0.00 0.00 41.25 43.42 1pkl s ASN 167 CO 0.56 -0.33 1.33 -0.44 -2.04 0.00 0.00 177.10 176.18 1pkl s SER 168 N -0.34 6.90 -0.29 3.54 0.01 -1.26 -4.26 113.70 118.00 1pkl s SER 168 Ca -0.05 2.23 -0.21 0.00 1.31 0.00 0.00 55.95 59.23 1pkl s SER 168 Cb -0.03 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.75 1pkl s SER 168 CO 0.03 -0.60 1.02 -2.28 0.41 0.00 0.00 173.24 171.83 1pkl s HIS 169 N 1.14 -0.50 -0.18 2.43 5.04 -0.77 -4.93 115.29 117.52 1pkl s HIS 169 Ca 0.63 1.12 -0.15 0.00 -1.54 0.00 0.00 55.06 55.11 1pkl s HIS 169 Cb -0.34 0.36 -0.04 0.00 0.04 0.00 0.00 32.58 32.60 1pkl s HIS 169 CO 0.30 -0.25 0.35 0.99 -2.34 0.00 0.00 174.74 173.79 1pkl s THR 170 N 0.72 5.25 -0.05 0.89 2.01 -1.26 -2.01 115.64 121.19 1pkl s THR 170 Ca -0.02 0.63 0.06 0.00 0.31 0.00 0.00 61.69 62.66 1pkl s THR 170 Cb -0.04 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1pkl s THR 170 CO -0.11 0.32 -0.22 0.27 -0.69 0.00 0.00 174.62 174.19 1pkl s ILE 171 N 0.90 2.36 0.00 1.82 -4.36 -1.08 -4.98 121.20 115.86 1pkl s ILE 171 Ca 0.18 -0.97 0.00 0.00 -0.26 0.00 0.00 60.65 59.60 1pkl s ILE 171 Cb -0.14 -1.87 0.00 0.00 1.25 0.00 0.00 42.46 41.70 1pkl s ILE 171 CO 0.06 0.57 0.00 -1.54 0.24 0.00 0.00 174.94 174.28 1pkl n SER 172 N 2.69 0.00 -4.59 4.36 3.41 -1.26 -1.95 113.62 116.29 1pkl n SER 172 Ca -0.17 -0.67 -0.35 0.00 -0.26 0.00 0.00 58.87 57.41 1pkl n SER 172 Cb 0.52 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.02 0.09 -1.32 4.04 8.00 -1.25 -4.26 116.55 119.83 1pkl n ASP 173 Ca 0.00 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.12 1pkl n ASP 173 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 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 -1.82 0.00 -4.24 -1.24 1.74 -0.98 -4.94 116.66 105.17 1pkl n ARG 174 Ca 0.12 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.86 1pkl n ARG 174 Cb 0.50 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.85 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 -0.55 2.96 0.51 5.56 0.52 -1.26 -4.77 118.95 121.92 1pkl s ARG 175 Ca 0.00 -0.48 -0.23 0.00 -0.52 0.00 0.00 55.73 54.50 1pkl s ARG 175 Cb 0.00 -2.79 -0.06 0.00 0.52 0.00 0.00 34.95 32.62 1pkl s ARG 175 CO 0.00 0.67 1.40 0.20 0.02 0.00 0.00 175.30 177.58 1pkl s GLY 176 N -1.35 2.90 0.07 -3.53 0.00 -1.26 -1.89 107.32 102.27 1pkl s GLY 176 Ca 0.18 1.41 0.08 0.00 0.00 0.00 0.00 44.72 46.38 1pkl s GLY 176 CO 0.08 1.97 -0.21 -1.34 0.00 0.00 0.00 173.10 173.60 1pkl s VAL 177 N -1.25 1.71 0.01 1.40 -7.23 0.09 -0.51 120.40 114.61 1pkl s VAL 177 Ca 0.67 -1.36 0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1pkl s VAL 177 Cb -0.42 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1pkl s VAL 177 CO 0.52 0.09 -0.19 0.20 -0.31 0.00 0.00 175.10 175.41 1pkl s ASN 178 N -1.51 2.26 -0.67 4.85 0.01 0.17 -4.56 114.94 115.50 1pkl s ASN 178 Ca 0.07 -0.40 0.02 0.00 -0.71 0.00 0.00 52.86 51.84 1pkl s ASN 178 Cb -0.09 -0.23 0.16 0.00 0.41 0.00 0.00 41.25 41.51 1pkl s ASN 178 CO 0.03 0.20 0.46 -0.76 -1.51 0.00 0.00 177.10 175.52 1pkl s LEU 179 N -0.71 4.85 0.31 0.60 1.02 -1.26 -0.84 118.68 122.65 1pkl s LEU 179 Ca 0.07 -3.44 -0.29 0.00 0.02 0.00 0.00 54.13 50.49 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 0.00 -0.19 1.24 -2.65 0.02 0.00 0.00 176.35 174.78 1pkl n PRO 180 N 2.59 1.91 -1.33 1.29 -0.02 -1.26 -1.85 135.00 136.33 1pkl n PRO 180 Ca 0.14 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 62.17 1pkl n PRO 180 Cb 0.35 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1pkl n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkl n GLY 181 N 1.15 1.12 3.63 -1.23 0.00 -1.26 -4.69 105.19 103.91 1pkl n GLY 181 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1pkl n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl n ASP 183 N 2.87 4.70 -4.61 0.00 9.92 -1.26 -4.99 116.55 123.18 1pkl n ASP 183 Ca -0.18 -2.92 -0.35 0.00 -0.53 0.00 0.00 54.79 50.81 1pkl n ASP 183 Cb 0.53 -1.67 0.11 0.00 -0.64 0.00 0.00 41.12 39.44 1pkl n ASP 183 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1pkl n VAL 184 N 5.50 2.09 -0.36 2.53 0.31 -1.26 -4.95 118.33 122.19 1pkl n VAL 184 Ca 0.47 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1pkl n VAL 184 Cb 0.43 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 1pkl n VAL 184 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1pkl n ASP 185 N -2.14 0.95 -4.28 4.52 5.68 -1.26 -5.10 116.55 114.92 1pkl n ASP 185 Ca 0.12 -1.32 -0.39 0.00 -0.50 0.00 0.00 54.79 52.71 1pkl n ASP 185 Cb 0.50 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.50 1pkl n ASP 185 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1pkl n LEU 186 N -0.16 -2.94 -4.76 -2.12 4.77 -1.26 -4.84 117.00 105.69 1pkl n LEU 186 Ca 0.00 0.67 -0.39 0.00 -0.03 0.00 0.00 56.01 56.26 1pkl n LEU 186 Cb 0.22 -0.90 0.02 0.00 -2.33 0.00 0.00 43.42 40.42 1pkl n LEU 186 CO 0.00 -4.51 1.01 -2.16 -1.33 0.00 0.00 177.39 170.41 1pkl s PRO 187 N -1.19 3.57 0.21 3.23 0.04 -1.26 -4.90 135.00 134.70 1pkl s PRO 187 Ca 0.59 2.28 -0.12 0.00 0.04 0.00 0.00 61.00 63.79 1pkl s PRO 187 Cb -0.49 -2.54 0.26 0.00 0.04 0.00 0.00 34.50 31.77 1pkl s PRO 187 CO 0.64 -0.86 1.65 0.00 0.04 0.00 0.00 177.00 178.47 1pkl h ALA 188 N 2.10 0.52 -3.16 8.56 0.00 -1.91 -3.39 119.26 121.98 1pkl h ALA 188 Ca -0.51 0.20 -0.65 0.00 0.00 0.00 0.00 54.91 53.96 1pkl h ALA 188 Cb 1.27 0.36 -0.35 0.00 0.00 0.00 0.00 17.79 19.08 1pkl h ALA 188 CO 0.60 -0.41 -0.86 0.54 0.00 0.00 0.00 179.25 179.13 1pkl s VAL 189 N -6.18 1.89 0.13 0.00 0.11 -1.26 -4.64 120.40 110.46 1pkl s VAL 189 Ca -0.14 -0.86 -0.02 0.00 -2.93 0.00 0.00 61.98 58.03 1pkl s VAL 189 Cb 0.18 -1.71 0.03 0.00 -1.53 0.00 0.00 36.38 33.36 1pkl s VAL 189 CO 0.73 0.52 0.17 -1.54 -3.33 0.00 0.00 175.10 171.65 1pkl n SER 190 N 4.36 -0.17 0.33 3.54 3.41 -1.26 -4.82 113.62 119.01 1pkl n SER 190 Ca -0.20 -0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 57.30 1pkl n SER 190 Cb 0.51 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 1pkl n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pkl h ALA 191 N -1.99 -1.13 -0.97 7.33 0.00 -1.98 -1.72 119.26 118.80 1pkl h ALA 191 Ca -0.06 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.84 1pkl h ALA 191 Cb 0.16 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1pkl h ALA 191 CO 0.04 -1.07 0.58 -0.22 0.00 0.00 0.00 179.25 178.58 1pkl h LYS 192 N -0.91 0.77 -0.58 0.00 3.64 -1.98 0.38 116.57 117.88 1pkl h LYS 192 Ca -0.09 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1pkl h LYS 192 Cb 0.64 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1pkl h LYS 192 CO 0.14 0.51 0.35 -0.44 -2.27 0.00 0.00 179.45 177.74 1pkl h ASP 193 N 0.79 0.57 -0.40 4.20 3.32 -1.90 0.34 116.42 123.33 1pkl h ASP 193 Ca 0.54 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.59 1pkl h ASP 193 Cb 0.76 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1pkl h ASP 193 CO -0.35 0.39 0.24 -0.09 -1.72 0.00 0.00 179.24 177.71 1pkl h ARG 194 N 0.69 0.57 0.05 3.56 2.43 0.02 0.16 114.38 121.85 1pkl h ARG 194 Ca 0.24 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 1pkl h ARG 194 Cb 0.03 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1pkl h ARG 194 CO -0.11 0.41 -0.66 0.28 -1.51 0.00 0.00 179.97 178.38 1pkl h VAL 195 N 0.58 1.47 -0.56 0.20 2.07 -0.79 -3.00 116.25 116.21 1pkl h VAL 195 Ca 0.15 -2.25 -0.06 0.00 0.82 0.00 0.00 66.70 65.36 1pkl h VAL 195 Cb -0.01 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1pkl h VAL 195 CO -0.03 0.64 0.10 0.44 0.02 0.00 0.00 177.57 178.75 1pkl h ASP 196 N -0.23 0.84 0.16 0.57 3.32 0.08 -2.71 116.42 118.45 1pkl h ASP 196 Ca -0.10 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 56.66 1pkl h ASP 196 Cb 1.42 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1pkl h ASP 196 CO 0.13 0.84 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.97 1pkl h LEU 197 N 0.84 0.38 -0.59 1.55 3.38 -0.80 0.01 115.31 120.09 1pkl h LEU 197 Ca 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pkl h LEU 197 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1pkl h LEU 197 CO 0.01 0.78 0.00 1.56 0.09 0.00 0.00 178.44 180.88 1pkl h GLN 198 N 0.29 0.00 0.12 1.13 1.08 -1.35 -1.66 115.11 114.72 1pkl h GLN 198 Ca 0.02 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.97 1pkl h GLN 198 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1pkl h GLN 198 CO 0.08 0.00 -1.26 0.35 -0.95 0.00 0.00 178.83 177.05 1pkl h PHE 199 N 0.00 0.48 -0.92 2.96 3.57 -1.16 -3.05 116.94 118.83 1pkl h PHE 199 Ca 0.00 -0.35 0.03 0.00 3.53 0.00 0.00 57.97 61.18 1pkl h PHE 199 Cb 0.62 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 1pkl h PHE 199 CO 0.00 1.49 0.59 0.78 -2.23 0.00 0.00 178.31 178.94 1pkl h GLY 200 N -0.05 1.34 0.96 2.40 0.00 -0.71 -0.30 103.07 106.71 1pkl h GLY 200 Ca -0.26 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.54 1pkl h GLY 200 CO 0.09 0.39 -0.03 -2.08 0.00 0.00 0.00 176.54 174.90 1pkl h VAL 201 N 1.15 1.27 -0.35 4.60 2.07 -1.43 -1.53 116.25 122.02 1pkl h VAL 201 Ca 0.37 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1pkl h VAL 201 Cb 0.01 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1pkl h VAL 201 CO -0.12 0.36 0.04 -0.33 0.02 0.00 0.00 177.57 177.54 1pkl h GLU 202 N 0.55 0.53 -0.01 1.57 5.08 -1.28 -2.44 114.58 118.58 1pkl h GLU 202 Ca 0.11 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pkl h GLU 202 Cb 0.53 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1pkl h GLU 202 CO 0.03 0.53 -0.19 1.04 -1.00 0.00 0.00 179.01 179.41 1pkl n GLN 203 N -4.31 0.72 -2.94 2.33 1.13 -0.18 -4.98 117.38 109.17 1pkl n GLN 203 Ca 0.02 -0.35 -0.10 0.00 -1.94 0.00 0.00 57.00 54.63 1pkl n GLN 203 Cb 0.22 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.11 1pkl n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pkl n GLY 204 N 1.32 0.35 3.74 1.08 0.00 -0.64 -5.02 105.19 106.02 1pkl n GLY 204 Ca 0.13 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.13 2.86 -0.03 1.61 -7.23 -0.84 -4.97 120.40 108.67 1pkl s VAL 205 Ca 0.23 0.32 0.11 0.00 -1.81 0.00 0.00 61.98 60.84 1pkl s VAL 205 Cb -0.10 -2.71 -0.23 0.00 0.56 0.00 0.00 36.38 33.89 1pkl s VAL 205 CO 0.29 -0.32 0.72 0.44 -0.31 0.00 0.00 175.10 175.92 1pkl h ASP 206 N -0.96 0.02 -5.09 4.85 3.32 -1.55 -3.46 116.42 113.54 1pkl h ASP 206 Ca -0.45 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 1pkl h ASP 206 Cb 1.25 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.68 1pkl h ASP 206 CO 0.49 1.03 -0.02 0.00 -1.72 0.00 0.00 179.24 179.02 1pkl s MET 207 N -2.61 1.24 -0.06 3.56 0.23 -1.14 -2.14 119.30 118.38 1pkl s MET 207 Ca -0.05 -0.80 0.06 0.00 -1.03 0.00 0.00 55.69 53.87 1pkl s MET 207 Cb 0.08 0.50 -0.01 0.00 -1.53 0.00 0.00 34.83 33.87 1pkl s MET 207 CO 0.82 -0.51 -0.25 0.42 -2.03 0.00 0.00 175.02 173.48 1pkl s ILE 208 N -3.85 2.08 -0.74 3.16 -1.09 0.34 -1.91 121.20 119.20 1pkl s ILE 208 Ca 0.07 -1.05 -0.11 0.00 -2.23 0.00 0.00 60.65 57.32 1pkl s ILE 208 Cb 0.00 -1.76 0.19 0.00 -1.58 0.00 0.00 42.46 39.32 1pkl s ILE 208 CO -0.07 0.57 0.65 -0.36 -1.23 0.00 0.00 174.94 174.50 1pkl s PHE 209 N -0.12 3.62 -0.22 3.97 0.08 -0.26 -0.15 117.98 124.90 1pkl s PHE 209 Ca -0.05 -2.12 -0.29 0.00 0.12 0.00 0.00 56.93 54.59 1pkl s PHE 209 Cb -0.14 -3.65 -0.02 0.00 -0.57 0.00 0.00 43.02 38.64 1pkl s PHE 209 CO 0.04 -0.96 1.52 0.00 -0.10 0.00 0.00 175.22 175.73 1pkl s ALA 210 N 0.26 3.35 0.36 5.36 0.00 0.00 -1.62 121.76 129.48 1pkl s ALA 210 Ca 0.16 0.42 -0.26 0.00 0.00 0.00 0.00 51.96 52.28 1pkl s ALA 210 Cb -0.15 -3.81 -0.09 0.00 0.00 0.00 0.00 23.12 19.07 1pkl s ALA 210 CO -0.06 -1.81 1.07 -1.12 0.00 0.00 0.00 175.76 173.84 1pkl s SER 211 N 3.66 6.89 -1.41 0.00 0.01 -1.26 -1.02 113.70 120.57 1pkl s SER 211 Ca 0.67 2.12 -0.01 0.00 1.31 0.00 0.00 55.95 60.04 1pkl s SER 211 Cb -0.23 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.40 1pkl s SER 211 CO 0.27 -0.40 0.43 0.49 0.41 0.00 0.00 173.24 174.44 1pkl n PHE 212 N 0.30 -1.66 -2.53 2.43 3.72 -1.24 -4.76 117.46 113.72 1pkl n PHE 212 Ca 0.03 0.75 -0.42 0.00 -0.05 0.00 0.00 57.45 57.77 1pkl n PHE 212 Cb 0.48 -3.74 -0.03 0.00 -0.94 0.00 0.00 39.48 35.24 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 -3.94 4.23 0.00 4.37 -1.09 -1.10 -4.92 121.20 118.76 1pkl s ILE 213 Ca 0.02 1.68 0.00 0.00 -2.23 0.00 0.00 60.65 60.12 1pkl s ILE 213 Cb -0.01 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 1pkl s ILE 213 CO 0.89 0.17 0.00 0.54 -1.23 0.00 0.00 174.94 175.31 1pkl n ARG 214 N 3.52 3.56 -4.23 2.79 1.74 -1.26 -4.16 116.66 118.61 1pkl n ARG 214 Ca 0.06 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 1pkl n ARG 214 Cb 0.48 -1.00 -0.10 0.00 -1.02 0.00 0.00 32.46 30.82 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 -3.09 1.63 0.28 0.55 1.04 -1.26 -4.34 113.70 108.51 1pkl s SER 215 Ca 0.00 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.41 1pkl s SER 215 Cb 0.00 0.01 0.39 0.00 0.10 0.00 0.00 66.02 66.53 1pkl s SER 215 CO 0.00 -0.36 1.84 0.00 0.98 0.00 0.00 173.24 175.70 1pkl h ALA 216 N 2.87 1.22 -0.92 5.32 0.00 -1.88 -2.04 119.26 123.82 1pkl h ALA 216 Ca -0.36 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.47 1pkl h ALA 216 Cb 1.18 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1pkl h ALA 216 CO 0.63 0.55 0.59 1.49 0.00 0.00 0.00 179.25 182.51 1pkl h GLU 217 N 0.84 0.84 -0.34 0.00 4.81 -1.95 -1.19 114.58 117.60 1pkl h GLU 217 Ca 0.19 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1pkl h GLU 217 Cb 0.25 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1pkl h GLU 217 CO -0.01 0.55 -0.01 1.96 -0.73 0.00 0.00 179.01 180.77 1pkl h GLN 218 N 0.86 0.53 -0.73 1.92 4.20 -1.77 -2.17 115.11 117.95 1pkl h GLN 218 Ca 0.45 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.99 1pkl h GLN 218 Cb 0.52 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1pkl h GLN 218 CO -0.21 0.56 0.28 0.28 -0.67 0.00 0.00 178.83 179.08 1pkl h VAL 219 N 0.50 1.25 -0.20 -0.54 2.07 -1.20 -1.83 116.25 116.31 1pkl h VAL 219 Ca 0.11 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1pkl h VAL 219 Cb 0.35 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1pkl h VAL 219 CO 0.01 0.32 0.07 1.23 0.02 0.00 0.00 177.57 179.23 1pkl h GLY 220 N 1.05 0.29 1.43 2.17 0.00 -1.26 -0.45 103.07 106.30 1pkl h GLY 220 Ca 0.24 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 1pkl h GLY 220 CO -0.02 0.12 -0.43 -0.55 0.00 0.00 0.00 176.54 175.66 1pkl h ASP 221 N 0.27 0.67 -0.28 0.19 3.32 -1.01 -2.20 116.42 117.38 1pkl h ASP 221 Ca 0.07 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 1pkl h ASP 221 Cb 0.07 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1pkl h ASP 221 CO -0.01 1.01 -0.24 0.58 -1.72 0.00 0.00 179.24 178.86 1pkl h VAL 222 N 0.51 1.30 -0.59 -1.35 2.07 -0.86 -1.54 116.25 115.79 1pkl h VAL 222 Ca 0.04 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 66.25 1pkl h VAL 222 Cb 0.96 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.24 1pkl h VAL 222 CO 0.09 0.44 0.19 -0.09 0.02 0.00 0.00 177.57 178.23 1pkl h ARG 223 N 0.39 0.35 -0.46 1.57 9.65 -0.90 -1.71 114.38 123.26 1pkl h ARG 223 Ca 0.05 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.78 1pkl h ARG 223 Cb 0.80 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1pkl h ARG 223 CO 0.06 0.23 -0.21 0.87 2.80 0.00 0.00 179.97 183.72 1pkl h LYS 224 N 0.36 0.95 -0.00 0.20 1.57 -1.30 -2.44 116.57 115.91 1pkl h LYS 224 Ca 0.30 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1pkl h LYS 224 Cb 0.38 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1pkl h LYS 224 CO -0.32 1.06 -0.05 0.00 -0.57 0.00 0.00 179.45 179.57 1pkl h ALA 225 N 0.93 1.92 0.00 3.86 0.00 -0.59 0.30 119.26 125.68 1pkl h ALA 225 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1pkl h ALA 225 Cb 0.78 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1pkl h ALA 225 CO 0.06 0.06 -0.36 -0.07 0.00 0.00 0.00 179.25 178.94 1pkl h LEU 226 N 0.00 0.00 0.00 0.00 3.38 -0.87 -3.42 115.31 114.40 1pkl h LEU 226 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1pkl h LEU 226 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1pkl h LEU 226 CO 0.01 0.36 -0.12 0.61 0.09 0.00 0.00 178.44 179.39 1pkl n GLY 227 N 0.83 -1.79 0.17 0.83 0.00 0.09 -3.31 105.19 102.01 1pkl n GLY 227 Ca 0.01 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.77 1pkl n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pkl h PRO 228 N 0.00 0.00 0.00 1.61 0.13 -1.88 -2.92 132.00 128.94 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 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 1pkl h PRO 228 CO 0.00 0.46 0.00 1.63 -0.23 0.00 0.00 178.00 179.86 1pkl n LYS 229 N -3.94 0.05 -0.53 0.86 5.02 -1.26 -3.18 118.16 115.18 1pkl n LYS 229 Ca -0.01 0.18 0.07 0.00 -2.02 0.00 0.00 58.31 56.52 1pkl n LYS 229 Cb 0.49 -1.57 0.19 0.00 -0.02 0.00 0.00 35.03 34.12 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 0.65 5.01 0.29 0.72 0.00 -1.11 -4.77 105.19 105.99 1pkl n GLY 230 Ca 0.05 -1.27 0.17 0.00 0.00 0.00 0.00 46.02 44.97 1pkl n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pkl h ARG 231 N 0.83 0.00 -0.02 1.61 0.11 -1.57 -2.82 114.38 112.52 1pkl h ARG 231 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1pkl h ARG 231 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1pkl h ARG 231 CO 0.00 0.05 -0.10 -0.25 0.10 0.00 0.00 179.97 179.77 1pkl n ASP 232 N -3.34 2.13 -4.74 0.08 8.00 -1.26 -4.91 116.55 112.51 1pkl n ASP 232 Ca -0.02 -1.63 -0.40 0.00 0.71 0.00 0.00 54.79 53.44 1pkl n ASP 232 Cb 0.19 0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1pkl n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pkl s ILE 233 N -2.13 4.54 0.33 0.53 1.01 -1.07 -5.00 121.20 119.42 1pkl s ILE 233 Ca 0.29 1.88 -0.23 0.00 0.00 0.00 0.00 60.65 62.60 1pkl s ILE 233 Cb 0.20 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1pkl s ILE 233 CO 0.38 0.37 0.90 -0.04 0.00 0.00 0.00 174.94 176.54 1pkl s MET 234 N -0.21 4.40 -0.36 2.79 -1.94 -0.91 -4.93 119.30 118.15 1pkl s MET 234 Ca 0.42 1.16 -0.03 0.00 -1.71 0.00 0.00 55.69 55.53 1pkl s MET 234 Cb -0.22 -2.63 0.08 0.00 2.01 0.00 0.00 34.83 34.06 1pkl s MET 234 CO 0.27 0.21 0.11 0.42 -0.01 0.00 0.00 175.02 176.03 1pkl s ILE 235 N -1.77 3.24 -0.34 2.53 1.01 -1.26 -0.50 121.20 124.11 1pkl s ILE 235 Ca 0.52 -1.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.33 1pkl s ILE 235 Cb -0.15 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1pkl s ILE 235 CO 0.20 -0.40 0.41 -0.63 0.00 0.00 0.00 174.94 174.52 1pkl s ILE 236 N 1.22 5.12 -0.19 2.92 -1.09 0.79 -1.28 121.20 128.69 1pkl s ILE 236 Ca 0.02 0.15 -0.26 0.00 -2.23 0.00 0.00 60.65 58.33 1pkl s ILE 236 Cb -0.21 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1pkl s ILE 236 CO -0.02 -0.13 0.86 0.00 -1.23 0.00 0.00 174.94 174.42 1pkl s LYS 238 N 2.45 3.90 -0.51 0.00 1.02 -0.19 -0.82 119.74 125.59 1pkl s LYS 238 Ca 0.38 0.69 -0.21 0.00 0.02 0.00 0.00 55.97 56.85 1pkl s LYS 238 Cb -0.16 -3.78 0.05 0.00 -0.52 0.00 0.00 37.83 33.41 1pkl s LYS 238 CO 0.10 -0.92 0.73 0.42 -0.92 0.00 0.00 175.35 174.77 1pkl s ILE 239 N 3.49 4.71 -0.48 2.17 -1.09 -0.52 -2.69 121.20 126.78 1pkl s ILE 239 Ca 0.39 -0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.73 1pkl s ILE 239 Cb -0.12 -4.36 0.05 0.00 -1.58 0.00 0.00 42.46 36.45 1pkl s ILE 239 CO 0.18 -0.87 0.72 -0.62 -1.23 0.00 0.00 174.94 173.12 1pkl n GLU 240 N 6.61 0.19 -4.01 2.79 1.02 -1.26 -2.87 120.64 123.11 1pkl n GLU 240 Ca -0.03 -0.92 -0.12 0.00 -0.02 0.00 0.00 57.16 56.07 1pkl n GLU 240 Cb 0.47 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.77 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 -0.46 0.50 0.41 1.62 2.20 -1.26 -3.14 114.94 114.80 1pkl s ASN 241 Ca 0.05 -1.29 0.09 0.00 -0.94 0.00 0.00 52.86 50.77 1pkl s ASN 241 Cb 0.04 0.68 0.86 0.00 -2.00 0.00 0.00 41.25 40.83 1pkl s ASN 241 CO 0.05 -1.34 2.00 1.12 -2.94 0.00 0.00 177.10 175.99 1pkl h HIS 242 N 2.12 0.35 -0.33 1.54 2.07 -1.96 -2.61 115.15 116.34 1pkl h HIS 242 Ca -0.29 -0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.16 1pkl h HIS 242 Cb 1.24 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 31.10 1pkl h HIS 242 CO 1.21 0.32 -0.04 1.96 -3.07 0.00 0.00 177.93 178.31 1pkl h GLN 243 N 0.35 0.61 -0.94 5.12 4.20 -1.94 0.12 115.11 122.63 1pkl h GLN 243 Ca 0.09 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.62 1pkl h GLN 243 Cb 0.15 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.83 1pkl h GLN 243 CO -0.00 0.76 0.61 0.78 -0.67 0.00 0.00 178.83 180.31 1pkl h GLY 244 N 0.40 1.38 1.04 3.46 0.00 -1.64 0.16 103.07 107.86 1pkl h GLY 244 Ca 0.09 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1pkl h GLY 244 CO 0.02 0.39 -0.16 -2.08 0.00 0.00 0.00 176.54 174.71 1pkl h VAL 245 N 1.17 1.27 -0.34 4.60 2.07 -1.20 -1.17 116.25 122.65 1pkl h VAL 245 Ca 0.38 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1pkl h VAL 245 Cb 0.02 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1pkl h VAL 245 CO -0.13 0.44 0.09 -0.61 0.02 0.00 0.00 177.57 177.39 1pkl h GLN 246 N 0.72 0.54 -0.69 1.57 5.75 -0.04 -3.01 115.11 119.94 1pkl h GLN 246 Ca 0.11 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1pkl h GLN 246 Cb 0.71 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.19 1pkl h GLN 246 CO 0.05 0.58 0.00 0.09 -2.65 0.00 0.00 178.83 176.90 1pkl n ASN 247 N -4.64 4.13 -0.34 -0.69 3.02 0.48 -4.62 115.26 112.60 1pkl n ASN 247 Ca -0.01 -2.57 0.13 0.00 -0.03 0.00 0.00 54.58 52.09 1pkl n ASN 247 Cb 0.18 -0.60 0.31 0.00 -0.61 0.00 0.00 39.78 39.07 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 2.82 0.68 -0.11 2.41 6.09 -1.07 -2.00 117.51 126.32 1pkl h ILE 248 Ca 0.00 -0.24 0.01 0.00 -1.37 0.00 0.00 64.86 63.25 1pkl h ILE 248 Cb 1.44 -0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.63 1pkl h ILE 248 CO 0.31 0.13 0.04 0.44 -3.07 0.00 0.00 178.15 176.00 1pkl h ASP 249 N 0.71 0.06 0.45 2.19 3.32 -1.86 -0.16 116.42 121.13 1pkl h ASP 249 Ca 0.57 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.49 1pkl h ASP 249 Cb 0.90 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1pkl h ASP 249 CO -0.40 0.05 -0.59 0.77 -1.72 0.00 0.00 179.24 177.35 1pkl h SER 250 N 0.10 0.16 -0.36 6.45 4.64 -1.86 -2.38 113.55 120.31 1pkl h SER 250 Ca 0.04 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 1pkl h SER 250 Cb 0.02 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1pkl h SER 250 CO -0.04 0.72 -0.18 0.40 -0.87 0.00 0.00 176.83 176.86 1pkl h ILE 251 N 0.11 1.29 -0.59 0.95 2.04 -1.09 -2.70 117.51 117.52 1pkl h ILE 251 Ca -0.01 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 1pkl h ILE 251 Cb 1.08 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1pkl h ILE 251 CO 0.09 0.43 0.21 0.40 0.00 0.00 0.00 178.15 179.27 1pkl h ILE 252 N 0.54 1.22 -0.73 -0.67 2.04 -0.98 -0.79 117.51 118.13 1pkl h ILE 252 Ca 0.08 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.26 1pkl h ILE 252 Cb 0.72 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1pkl h ILE 252 CO 0.05 0.28 0.44 -0.08 0.00 0.00 0.00 178.15 178.84 1pkl h GLU 253 N 0.85 0.79 0.00 2.37 4.57 -1.16 -3.14 114.58 118.87 1pkl h GLU 253 Ca 0.20 -0.05 -0.29 0.00 -1.18 0.00 0.00 59.36 58.04 1pkl h GLU 253 Cb 0.21 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1pkl h GLU 253 CO -0.01 0.53 -1.66 0.93 -1.18 0.00 0.00 179.01 177.61 1pkl h GLU 254 N 0.82 0.00 -7.63 1.92 4.39 -1.27 -3.48 114.58 109.33 1pkl h GLU 254 Ca 0.32 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.56 1pkl h GLU 254 Cb 0.14 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 28.93 1pkl h GLU 254 CO -0.16 0.52 0.36 -1.54 -1.16 0.00 0.00 179.01 177.02 1pkl s SER 255 N -6.12 3.40 0.00 1.42 1.04 -0.32 -4.99 113.70 108.13 1pkl s SER 255 Ca -0.04 0.65 0.17 0.00 0.48 0.00 0.00 55.95 57.20 1pkl s SER 255 Cb 0.08 -0.99 0.22 0.00 0.10 0.00 0.00 66.02 65.43 1pkl s SER 255 CO 0.82 -2.59 1.13 0.47 0.98 0.00 0.00 173.24 174.06 1pkl n ASP 256 N -3.74 2.67 0.00 7.02 8.00 -0.40 -4.92 116.55 125.17 1pkl n ASP 256 Ca 0.10 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.82 1pkl n ASP 256 Cb 0.60 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 0.98 0.23 3.14 0.44 0.00 -1.22 -4.13 105.19 104.63 1pkl n GLY 257 Ca 0.12 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 0.78 -0.10 -0.61 -1.09 -0.70 -1.18 121.20 116.30 1pkl s ILE 258 Ca 0.00 -1.53 0.01 0.00 -2.23 0.00 0.00 60.65 56.90 1pkl s ILE 258 Cb 0.00 -1.20 0.02 0.00 -1.58 0.00 0.00 42.46 39.70 1pkl s ILE 258 CO 0.00 -0.56 -0.11 -0.32 -1.23 0.00 0.00 174.94 172.72 1pkl s MET 259 N -2.63 1.77 -0.70 2.79 -2.45 -0.00 -1.63 119.30 116.45 1pkl s MET 259 Ca 0.02 -0.39 -0.22 0.00 -1.25 0.00 0.00 55.69 53.86 1pkl s MET 259 Cb -0.03 -1.62 0.08 0.00 1.25 0.00 0.00 34.83 34.51 1pkl s MET 259 CO -0.01 -0.13 0.97 0.08 1.05 0.00 0.00 175.02 176.99 1pkl s VAL 260 N 1.21 4.41 -1.11 10.11 1.01 0.07 -1.44 120.40 134.66 1pkl s VAL 260 Ca -0.04 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 1pkl s VAL 260 Cb -0.14 -4.69 0.11 0.00 0.00 0.00 0.00 36.38 31.66 1pkl s VAL 260 CO -0.03 -1.45 1.43 0.00 0.00 0.00 0.00 175.10 175.05 1pkl s ALA 261 N 3.78 3.36 0.20 5.51 0.00 -1.14 -1.57 121.76 131.90 1pkl s ALA 261 Ca 0.23 -2.83 -0.11 0.00 0.00 0.00 0.00 51.96 49.25 1pkl s ALA 261 Cb -0.16 -4.33 0.24 0.00 0.00 0.00 0.00 23.12 18.88 1pkl s ALA 261 CO 0.07 -3.16 1.72 0.00 0.00 0.00 0.00 175.76 174.38 1pkl h ARG 262 N 8.34 0.26 -0.69 0.00 -0.00 -1.86 -1.15 114.38 119.28 1pkl h ARG 262 Ca 0.28 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.98 59.69 1pkl h ARG 262 Cb 0.95 -0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.83 1pkl h ARG 262 CO 1.31 0.17 0.21 0.78 0.00 0.00 0.00 179.97 182.44 1pkl h GLY 263 N 0.27 1.16 1.13 0.04 0.00 -1.89 0.44 103.07 104.22 1pkl h GLY 263 Ca 0.28 -0.69 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 1pkl h GLY 263 CO -0.35 0.64 -0.42 -0.55 0.00 0.00 0.00 176.54 175.86 1pkl h ASP 264 N 1.01 1.00 -0.00 0.19 3.32 -1.79 -2.48 116.42 117.67 1pkl h ASP 264 Ca 0.22 -0.48 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 1pkl h ASP 264 Cb 0.30 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1pkl h ASP 264 CO -0.01 1.28 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.57 1pkl h LEU 265 N 0.74 0.31 -0.62 1.55 3.38 -1.07 -2.51 115.31 117.08 1pkl h LEU 265 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pkl h LEU 265 Cb 1.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1pkl h LEU 265 CO 0.10 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.74 1pkl n GLY 266 N -0.72 -1.21 0.33 0.83 0.00 0.13 -2.25 105.19 102.31 1pkl n GLY 266 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 1.24 0.00 1.61 2.07 -1.29 -3.33 116.25 116.55 1pkl h VAL 267 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1pkl h VAL 267 Cb 0.33 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1pkl h VAL 267 CO 0.00 0.31 0.00 -1.84 0.02 0.00 0.00 177.57 176.06 1pkl n GLU 268 N -4.29 1.57 -4.61 1.57 0.28 -1.15 -4.98 120.64 109.03 1pkl n GLU 268 Ca 0.06 -1.10 -0.22 0.00 -0.16 0.00 0.00 57.16 55.74 1pkl n GLU 268 Cb 0.18 -0.95 -0.15 0.00 1.43 0.00 0.00 31.44 31.95 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 -0.62 1.06 0.19 3.84 1.01 -0.95 -4.78 121.20 120.95 1pkl s ILE 269 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 60.65 59.77 1pkl s ILE 269 Cb 0.00 -0.89 -0.11 0.00 0.01 0.00 0.00 42.46 41.46 1pkl s ILE 269 CO 0.00 0.30 1.72 -2.84 0.00 0.00 0.00 174.94 174.12 1pkl s PRO 270 N -0.22 4.14 0.23 2.79 0.02 -1.26 -4.44 135.00 136.25 1pkl s PRO 270 Ca 0.03 2.58 -0.03 0.00 0.02 0.00 0.00 61.00 63.60 1pkl s PRO 270 Cb -0.06 -3.17 0.46 0.00 0.02 0.00 0.00 34.50 31.75 1pkl s PRO 270 CO -0.00 -0.75 1.24 0.00 -0.33 0.00 0.00 177.00 177.15 1pkl n ALA 271 N 4.27 0.28 0.25 -1.55 0.00 -1.26 0.93 120.51 123.42 1pkl n ALA 271 Ca 0.16 0.86 0.11 0.00 0.00 0.00 0.00 53.44 54.58 1pkl n ALA 271 Cb 0.36 -0.56 0.74 0.00 0.00 0.00 0.00 19.45 19.99 1pkl n ALA 271 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1pkl h GLU 272 N 0.00 0.00 0.01 0.00 9.09 -2.01 -1.17 114.58 120.50 1pkl h GLU 272 Ca 0.42 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.60 1pkl h GLU 272 Cb 0.74 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.81 1pkl h GLU 272 CO -0.79 0.00 -1.15 0.87 0.05 0.00 0.00 179.01 177.99 1pkl h LYS 273 N 0.00 0.02 -0.42 1.06 1.57 0.20 -3.16 116.57 115.84 1pkl h LYS 273 Ca 0.02 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1pkl h LYS 273 Cb 0.10 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1pkl h LYS 273 CO -0.00 0.92 0.07 0.28 -0.57 0.00 0.00 179.45 180.15 1pkl h VAL 274 N 0.00 1.20 -0.28 0.50 2.07 -0.87 0.31 116.25 119.18 1pkl h VAL 274 Ca -0.07 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1pkl h VAL 274 Cb 1.83 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1pkl h VAL 274 CO 0.12 0.27 0.15 0.58 0.02 0.00 0.00 177.57 178.71 1pkl h VAL 275 N 0.61 1.14 -0.24 2.57 2.07 -1.41 0.45 116.25 121.44 1pkl h VAL 275 Ca 0.14 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 1pkl h VAL 275 Cb 0.28 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1pkl h VAL 275 CO 0.00 0.14 -0.38 0.58 0.02 0.00 0.00 177.57 177.93 1pkl h VAL 276 N 0.33 1.30 -0.78 2.57 2.07 -1.36 -2.69 116.25 117.68 1pkl h VAL 276 Ca 0.10 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1pkl h VAL 276 Cb 0.09 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1pkl h VAL 276 CO -0.01 0.48 0.34 0.00 0.02 0.00 0.00 177.57 178.40 1pkl h ALA 277 N 1.13 1.01 -0.85 1.67 0.00 -0.02 -1.98 119.26 120.22 1pkl h ALA 277 Ca 0.04 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1pkl h ALA 277 Cb 0.87 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1pkl h ALA 277 CO 0.07 0.61 0.54 0.37 0.00 0.00 0.00 179.25 180.84 1pkl h GLN 278 N 1.12 0.98 -0.53 0.00 4.15 -0.60 -0.04 115.11 120.19 1pkl h GLN 278 Ca 0.26 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 1pkl h GLN 278 Cb 0.17 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1pkl h GLN 278 CO -0.03 0.65 0.16 0.87 -1.93 0.00 0.00 178.83 178.56 1pkl h LYS 279 N 1.01 0.83 0.09 1.69 1.57 -1.13 -1.75 116.57 118.88 1pkl h LYS 279 Ca 0.35 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1pkl h LYS 279 Cb 0.09 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1pkl h LYS 279 CO -0.14 0.77 -0.04 0.82 -0.57 0.00 0.00 179.45 180.28 1pkl h ILE 280 N 0.74 1.07 -0.49 1.86 2.04 -0.78 -2.05 117.51 119.91 1pkl h ILE 280 Ca 0.17 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1pkl h ILE 280 Cb 0.28 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1pkl h ILE 280 CO -0.00 0.15 0.07 -0.07 0.00 0.00 0.00 178.15 178.29 1pkl h LEU 281 N -0.39 0.71 -0.22 1.44 3.38 -1.02 -1.29 115.31 117.92 1pkl h LEU 281 Ca -0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1pkl h LEU 281 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1pkl h LEU 281 CO 0.02 0.74 -0.08 0.40 0.09 0.00 0.00 178.44 179.61 1pkl h ILE 282 N 0.73 1.30 -0.74 1.22 2.04 -1.32 -2.31 117.51 118.42 1pkl h ILE 282 Ca 0.16 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 1pkl h ILE 282 Cb 0.34 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1pkl h ILE 282 CO 0.01 0.34 0.27 0.28 0.00 0.00 0.00 178.15 179.05 1pkl h SER 283 N 0.16 1.04 -0.61 1.72 0.02 -1.15 -0.01 113.55 114.73 1pkl h SER 283 Ca 0.05 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 1pkl h SER 283 Cb 0.56 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1pkl h SER 283 CO 0.03 0.94 0.16 0.11 -1.14 0.00 0.00 176.83 176.93 1pkl h LYS 284 N 1.09 1.00 -0.24 3.45 1.57 -1.23 -1.51 116.57 120.70 1pkl h LYS 284 Ca 0.25 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1pkl h LYS 284 Cb 0.25 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1pkl h LYS 284 CO -0.02 0.88 -0.54 0.00 -0.57 0.00 0.00 179.45 179.20 1pkl h ASN 286 N 0.54 -0.10 -0.36 0.00 -0.26 -0.69 -0.22 115.58 114.50 1pkl h ASN 286 Ca 0.01 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.74 1pkl h ASN 286 Cb 1.11 0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 38.41 1pkl h ASN 286 CO 0.11 -0.04 0.09 0.58 -1.06 0.00 0.00 177.43 177.10 1pkl h VAL 287 N -0.02 1.20 0.00 2.81 2.07 -1.25 -2.48 116.25 118.58 1pkl h VAL 287 Ca 0.04 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1pkl h VAL 287 Cb 0.08 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1pkl h VAL 287 CO -0.09 0.27 -0.32 0.00 0.02 0.00 0.00 177.57 177.44 1pkl h ALA 288 N 1.46 0.98 -0.04 1.67 0.00 -0.85 -3.47 119.26 119.01 1pkl h ALA 288 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pkl h ALA 288 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pkl h ALA 288 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1pkl n GLY 289 N 0.29 0.57 3.23 0.00 0.00 -0.14 -5.07 105.19 104.08 1pkl n GLY 289 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1pkl n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkl s LYS 290 N -3.70 1.72 0.38 1.61 1.02 -0.99 -4.75 119.74 115.03 1pkl s LYS 290 Ca 0.00 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 54.95 1pkl s LYS 290 Cb 0.00 -1.67 -0.11 0.00 -0.52 0.00 0.00 37.83 35.53 1pkl s LYS 290 CO 0.00 0.46 1.31 -0.35 -0.92 0.00 0.00 175.35 175.84 1pkl n PRO 291 N 2.52 2.10 -4.37 -1.68 -0.04 -1.26 -4.43 135.00 127.85 1pkl n PRO 291 Ca -0.15 0.74 -0.22 0.00 -0.04 0.00 0.00 63.50 63.82 1pkl n PRO 291 Cb 0.53 -2.40 -0.16 0.00 -0.04 0.00 0.00 33.50 31.42 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 -1.15 0.85 -0.16 0.52 0.11 -1.26 -1.71 120.40 117.59 1pkl s VAL 292 Ca 0.58 -0.30 -0.04 0.00 -2.93 0.00 0.00 61.98 59.29 1pkl s VAL 292 Cb -0.53 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 1pkl s VAL 292 CO 0.60 0.29 -0.03 -0.63 -3.33 0.00 0.00 175.10 172.01 1pkl s ILE 293 N 0.81 3.94 -0.26 7.04 1.01 -0.65 -1.04 121.20 132.05 1pkl s ILE 293 Ca -0.12 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 59.97 1pkl s ILE 293 Cb -0.15 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1pkl s ILE 293 CO 0.02 0.49 0.71 0.00 0.00 0.00 0.00 174.94 176.15 1pkl n ALA 295 N 5.89 1.65 -2.63 0.00 0.00 -0.61 -1.76 120.51 123.06 1pkl n ALA 295 Ca 0.02 -0.72 -0.22 0.00 0.00 0.00 0.00 53.44 52.51 1pkl n ALA 295 Cb 0.48 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.33 3.57 -1.15 0.00 -4.23 -1.26 -4.56 115.64 105.69 1pkl s THR 296 Ca -0.20 -1.64 -0.26 0.00 -1.18 0.00 0.00 61.69 58.41 1pkl s THR 296 Cb 0.05 -3.07 0.01 0.00 1.34 0.00 0.00 72.50 70.84 1pkl s THR 296 CO 0.40 -0.28 0.75 0.00 -0.54 0.00 0.00 174.62 174.95 1pkl n GLN 297 N -1.11 -0.85 -4.28 3.99 6.02 -1.26 -4.75 117.38 115.13 1pkl n GLN 297 Ca -0.05 0.33 -0.34 0.00 -0.01 0.00 0.00 57.00 56.93 1pkl n GLN 297 Cb 0.60 -3.49 -0.12 0.00 1.02 0.00 0.00 30.24 28.24 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 -6.46 3.65 -1.45 -1.09 -1.94 -1.26 -4.48 119.30 106.27 1pkl s MET 298 Ca 0.47 -0.52 -0.12 0.00 -1.71 0.00 0.00 55.69 53.81 1pkl s MET 298 Cb -0.20 -2.97 0.09 0.00 2.01 0.00 0.00 34.83 33.76 1pkl s MET 298 CO 0.90 0.16 0.68 1.28 -0.01 0.00 0.00 175.02 178.03 1pkl n LEU 299 N 3.79 -1.87 -0.39 -0.03 4.77 -1.26 -4.84 117.00 117.16 1pkl n LEU 299 Ca -0.17 -0.61 -0.06 0.00 -0.03 0.00 0.00 56.01 55.14 1pkl n LEU 299 Cb 0.52 -2.26 -0.03 0.00 -2.33 0.00 0.00 43.42 39.33 1pkl n LEU 299 CO 0.32 0.27 0.52 1.21 -1.33 0.00 0.00 177.39 178.38 1pkl n GLU 300 N -4.12 -0.33 0.20 3.23 2.13 -1.26 -1.80 120.64 118.70 1pkl n GLU 300 Ca 0.02 1.48 0.14 0.00 0.66 0.00 0.00 57.16 59.46 1pkl n GLU 300 Cb 0.53 -2.19 0.65 0.00 0.27 0.00 0.00 31.44 30.70 1pkl n GLU 300 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1pkl h SER 301 N 0.00 0.00 0.11 4.31 4.64 -1.93 -2.88 113.55 117.80 1pkl h SER 301 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1pkl h SER 301 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1pkl h SER 301 CO -0.94 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.25 1pkl n MET 302 N -2.54 0.57 -0.10 4.77 2.81 -0.74 -1.87 117.12 120.01 1pkl n MET 302 Ca 0.00 0.03 -0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1pkl n MET 302 Cb 0.18 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.46 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 1.19 0.00 2.03 2.02 -1.68 -3.31 112.91 113.16 1pkl h THR 303 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1pkl h THR 303 Cb 0.05 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1pkl h THR 303 CO 0.00 0.23 -0.95 -1.22 0.37 0.00 0.00 175.52 173.95 1pkl n TYR 304 N -4.34 0.00 -4.21 3.16 4.01 -1.14 0.07 117.16 114.72 1pkl n TYR 304 Ca 0.04 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.44 1pkl n TYR 304 Cb 0.16 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.96 5.48 0.14 7.72 0.02 -0.78 -4.95 114.94 120.61 1pkl s ASN 305 Ca -0.00 0.14 0.19 0.00 -1.02 0.00 0.00 52.86 52.17 1pkl s ASN 305 Cb 0.00 -1.55 0.80 0.00 0.02 0.00 0.00 41.25 40.52 1pkl s ASN 305 CO 0.00 0.32 1.58 -0.81 0.02 0.00 0.00 177.10 178.21 1pkl n PRO 306 N 1.58 0.10 -4.04 -0.60 -0.04 -1.26 -4.21 135.00 126.53 1pkl n PRO 306 Ca -0.16 0.35 -0.14 0.00 -0.04 0.00 0.00 63.50 63.52 1pkl n PRO 306 Cb 0.53 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 1pkl n PRO 306 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1pkl s ARG 307 N -3.17 0.29 0.87 0.54 1.70 -1.26 -4.98 118.95 112.94 1pkl s ARG 307 Ca 0.05 -0.21 -0.12 0.00 -0.47 0.00 0.00 55.73 54.98 1pkl s ARG 307 Cb 0.09 -0.23 0.15 0.00 -0.57 0.00 0.00 34.95 34.39 1pkl s ARG 307 CO 0.32 0.06 1.22 -1.25 -1.08 0.00 0.00 175.30 174.57 1pkl s PRO 308 N -0.32 1.18 0.54 3.89 0.04 -1.26 -4.55 135.00 134.52 1pkl s PRO 308 Ca -0.01 -0.42 -0.03 0.00 0.04 0.00 0.00 61.00 60.58 1pkl s PRO 308 Cb -0.03 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1pkl s PRO 308 CO -0.00 -2.01 0.81 0.95 0.04 0.00 0.00 177.00 176.80 1pkl s THR 309 N -3.66 3.74 0.33 1.26 -4.23 -1.26 -4.96 115.64 106.86 1pkl s THR 309 Ca 0.69 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1pkl s THR 309 Cb -0.06 -3.44 0.19 0.00 1.34 0.00 0.00 72.50 70.52 1pkl s THR 309 CO 0.50 -0.40 1.91 -0.09 -0.54 0.00 0.00 174.62 176.00 1pkl h ARG 310 N 0.04 0.67 -0.22 3.99 1.12 -1.99 -2.12 114.38 115.87 1pkl h ARG 310 Ca -0.46 -0.11 -0.16 0.00 -1.11 0.00 0.00 59.98 58.15 1pkl h ARG 310 Cb 1.26 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.09 1pkl h ARG 310 CO 0.59 0.58 -0.51 0.00 -3.11 0.00 0.00 179.97 177.53 1pkl h ALA 311 N 1.50 0.71 -0.34 2.80 0.00 -2.00 -2.57 119.26 119.37 1pkl h ALA 311 Ca 0.15 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1pkl h ALA 311 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pkl h ALA 311 CO -0.01 0.68 -0.26 0.93 0.00 0.00 0.00 179.25 180.59 1pkl h GLU 312 N 0.47 0.69 -0.33 0.00 5.08 -1.85 -1.44 114.58 117.20 1pkl h GLU 312 Ca 0.02 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1pkl h GLU 312 Cb 1.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1pkl h GLU 312 CO 0.10 0.88 0.13 0.28 -1.00 0.00 0.00 179.01 179.40 1pkl h VAL 313 N 0.59 1.19 -0.14 3.13 2.07 -1.30 -2.53 116.25 119.27 1pkl h VAL 313 Ca 0.08 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1pkl h VAL 313 Cb 0.76 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1pkl h VAL 313 CO 0.06 0.20 -0.31 0.77 0.02 0.00 0.00 177.57 178.31 1pkl h SER 314 N 0.38 0.27 -0.62 0.57 4.64 -1.30 -2.29 113.55 115.21 1pkl h SER 314 Ca 0.11 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1pkl h SER 314 Cb 0.19 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1pkl h SER 314 CO -0.01 0.58 0.32 -0.78 -0.87 0.00 0.00 176.83 176.06 1pkl h ASP 315 N 0.23 0.79 -0.44 4.97 3.58 -1.06 0.35 116.42 124.86 1pkl h ASP 315 Ca 0.03 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.26 1pkl h ASP 315 Cb 0.67 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1pkl h ASP 315 CO 0.05 0.68 -0.15 0.58 -2.88 0.00 0.00 179.24 177.53 1pkl h VAL 316 N 0.85 1.27 -0.45 2.25 2.07 -1.22 -2.36 116.25 118.65 1pkl h VAL 316 Ca 0.21 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1pkl h VAL 316 Cb 0.09 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1pkl h VAL 316 CO -0.03 0.43 0.12 0.00 0.02 0.00 0.00 177.57 178.11 1pkl h ALA 317 N 0.85 0.60 0.00 1.67 0.00 -1.10 -2.93 119.26 118.34 1pkl h ALA 317 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pkl h ALA 317 Cb 0.70 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1pkl h ALA 317 CO 0.05 0.27 -0.11 -0.91 0.00 0.00 0.00 179.25 178.56 1pkl h ASN 318 N 0.60 0.00 -0.41 0.00 2.35 -0.87 -0.99 115.58 116.27 1pkl h ASN 318 Ca 0.14 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 1pkl h ASN 318 Cb 0.31 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1pkl h ASN 318 CO -0.00 0.11 -0.17 0.00 -1.65 0.00 0.00 177.43 175.72 1pkl h ALA 319 N 1.89 0.83 -0.18 -0.83 0.00 -1.24 0.18 119.26 119.92 1pkl h ALA 319 Ca -0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1pkl h ALA 319 Cb 0.58 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1pkl h ALA 319 CO 0.01 0.65 -0.29 0.28 0.00 0.00 0.00 179.25 179.90 1pkl h VAL 320 N 0.79 1.34 -0.42 0.00 2.07 -1.31 -1.58 116.25 117.14 1pkl h VAL 320 Ca 0.12 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1pkl h VAL 320 Cb 0.71 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1pkl h VAL 320 CO 0.05 0.46 0.22 -0.26 0.02 0.00 0.00 177.57 178.06 1pkl h PHE 321 N 0.15 0.56 -0.33 1.57 0.04 -0.99 -0.93 116.94 117.01 1pkl h PHE 321 Ca 0.01 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1pkl h PHE 321 Cb 0.87 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 1pkl h PHE 321 CO 0.09 0.41 0.04 -0.91 -0.60 0.00 0.00 178.31 177.34 1pkl h ASN 322 N 0.58 0.46 0.00 2.17 -0.26 -0.51 -3.47 115.58 114.56 1pkl h ASN 322 Ca 0.15 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1pkl h ASN 322 Cb 0.04 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 1pkl h ASN 322 CO -0.02 0.50 0.00 0.61 -1.06 0.00 0.00 177.43 177.46 1pkl n GLY 323 N -1.00 1.67 3.77 2.83 0.00 -0.35 -4.62 105.19 107.50 1pkl n GLY 323 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1pkl n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl s ALA 324 N -1.99 3.45 -0.03 4.61 0.00 -0.62 -4.91 121.76 122.26 1pkl s ALA 324 Ca 0.00 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.26 1pkl s ALA 324 Cb 0.00 -3.59 -0.28 0.00 0.00 0.00 0.00 23.12 19.25 1pkl s ALA 324 CO 0.00 -1.07 0.99 -0.44 0.00 0.00 0.00 175.76 175.24 1pkl h ASP 325 N 2.78 0.48 -3.81 0.00 5.19 -1.40 -3.45 116.42 116.22 1pkl h ASP 325 Ca -0.51 -0.86 -0.40 0.00 -0.62 0.00 0.00 57.03 54.64 1pkl h ASP 325 Cb 1.25 -0.15 -0.16 0.00 0.18 0.00 0.00 39.33 40.44 1pkl h ASP 325 CO 0.63 1.30 -0.74 0.00 -3.12 0.00 0.00 179.24 177.31 1pkl s VAL 327 N -2.67 1.76 0.13 0.00 -7.23 -0.44 -1.19 120.40 110.76 1pkl s VAL 327 Ca 0.14 -1.14 0.11 0.00 -1.81 0.00 0.00 61.98 59.28 1pkl s VAL 327 Cb -0.02 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 1pkl s VAL 327 CO 0.03 0.33 -0.25 -0.32 -0.31 0.00 0.00 175.10 174.58 1pkl s MET 328 N -0.96 1.48 -0.10 4.82 1.75 -0.72 -1.52 119.30 124.06 1pkl s MET 328 Ca 0.09 -1.33 0.04 0.00 -1.25 0.00 0.00 55.69 53.23 1pkl s MET 328 Cb -0.09 -1.94 0.00 0.00 2.84 0.00 0.00 34.83 35.65 1pkl s MET 328 CO 0.01 0.45 -0.22 -0.51 -0.65 0.00 0.00 175.02 174.10 1pkl s LEU 329 N -2.13 2.03 0.00 4.11 1.43 -0.05 -4.50 118.68 119.57 1pkl s LEU 329 Ca 0.15 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1pkl s LEU 329 Cb -0.10 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1pkl s LEU 329 CO 0.07 0.14 0.00 -1.20 0.23 0.00 0.00 176.35 175.59 1pkl n SER 330 N 3.61 0.00 0.29 2.29 7.64 -1.26 -1.33 113.62 124.86 1pkl n SER 330 Ca -0.20 0.00 0.17 0.00 1.01 0.00 0.00 58.87 59.86 1pkl n SER 330 Cb 0.53 0.00 0.82 0.00 -1.01 0.00 0.00 64.21 64.55 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 1.51 0.23 0.00 -1.96 -0.86 103.07 101.99 1pkl h GLY 331 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pkl h GLY 331 CO 0.00 0.00 0.29 0.83 0.00 0.00 0.00 176.54 177.66 1pkl h GLU 332 N 0.00 0.65 0.00 4.80 3.07 -1.90 0.74 114.58 121.94 1pkl h GLU 332 Ca -0.00 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.36 58.60 1pkl h GLU 332 Cb 0.36 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 1pkl h GLU 332 CO 0.01 0.46 -1.98 0.25 -1.40 0.00 0.00 179.01 176.34 1pkl n THR 333 N -4.43 0.79 -0.02 1.13 -2.24 -1.09 -3.45 114.28 104.97 1pkl n THR 333 Ca 0.04 -0.59 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 1pkl n THR 333 Cb 0.08 -0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.95 -0.00 0.00 6.98 0.00 -0.81 -3.35 119.26 123.02 1pkl h ALA 334 Ca -0.31 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1pkl h ALA 334 Cb 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1pkl h ALA 334 CO 0.02 -0.21 0.00 0.36 0.00 0.00 0.00 179.25 179.42 1pkl n LYS 335 N -4.81 0.84 -0.83 0.00 2.85 -0.66 -2.05 118.16 113.51 1pkl n LYS 335 Ca -0.09 -0.79 -0.30 0.00 -1.05 0.00 0.00 58.31 56.08 1pkl n LYS 335 Cb 0.30 -0.82 0.17 0.00 -0.65 0.00 0.00 35.03 34.03 1pkl n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1pkl s GLY 336 N -0.37 1.64 0.14 2.58 0.00 0.16 -4.86 107.32 106.60 1pkl s GLY 336 Ca 0.00 0.24 0.23 0.00 0.00 0.00 0.00 44.72 45.19 1pkl s GLY 336 CO 0.00 0.74 1.02 1.17 0.00 0.00 0.00 173.10 176.03 1pkl n LYS 337 N -4.26 0.50 -3.13 2.90 4.81 0.11 -4.51 118.16 114.59 1pkl n LYS 337 Ca 0.08 0.06 -0.22 0.00 -0.87 0.00 0.00 58.31 57.36 1pkl n LYS 337 Cb 0.53 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 33.81 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 -2.41 1.54 -0.09 5.64 4.01 -1.26 -4.99 117.16 119.60 1pkl n TYR 338 Ca 0.00 -3.87 -0.08 0.00 -0.16 0.00 0.00 57.90 53.80 1pkl n TYR 338 Cb 0.51 -0.44 -0.01 0.00 -0.31 0.00 0.00 39.34 39.09 1pkl n TYR 338 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1pkl h PRO 339 N 3.20 -0.24 -0.43 -0.72 0.11 -1.79 -2.03 132.00 130.09 1pkl h PRO 339 Ca 0.11 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 1pkl h PRO 339 Cb 0.79 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1pkl h PRO 339 CO 0.62 -0.16 -0.28 -0.91 -0.21 0.00 0.00 178.00 177.05 1pkl h ASN 340 N -0.25 1.00 -0.38 -2.05 2.35 -1.92 -3.13 115.58 111.20 1pkl h ASN 340 Ca 0.16 -0.43 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1pkl h ASN 340 Cb 0.52 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1pkl h ASN 340 CO -0.49 1.21 0.05 -0.33 -1.65 0.00 0.00 177.43 176.22 1pkl h GLU 341 N 0.80 0.72 -0.21 0.81 3.07 -1.89 -0.73 114.58 117.14 1pkl h GLU 341 Ca 0.09 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.71 1pkl h GLU 341 Cb 0.87 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1pkl h GLU 341 CO 0.08 0.70 -0.16 0.28 -1.40 0.00 0.00 179.01 178.51 1pkl h VAL 342 N 0.69 1.32 -0.37 3.13 2.07 -1.41 -0.75 116.25 120.92 1pkl h VAL 342 Ca 0.15 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1pkl h VAL 342 Cb 0.35 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1pkl h VAL 342 CO 0.01 0.39 0.16 0.58 0.02 0.00 0.00 177.57 178.73 1pkl h VAL 343 N 0.15 1.18 -0.43 2.57 2.07 -1.47 0.12 116.25 120.45 1pkl h VAL 343 Ca 0.04 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1pkl h VAL 343 Cb 0.68 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1pkl h VAL 343 CO 0.04 0.20 0.28 1.56 0.02 0.00 0.00 177.57 179.67 1pkl h GLN 344 N 0.46 0.57 -0.73 1.57 4.20 -1.11 -0.08 115.11 119.99 1pkl h GLN 344 Ca 0.13 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1pkl h GLN 344 Cb 0.17 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1pkl h GLN 344 CO -0.01 0.39 0.24 -0.92 -0.67 0.00 0.00 178.83 177.86 1pkl h TYR 345 N 0.58 1.16 -0.40 2.96 5.03 -0.90 -1.47 116.97 123.94 1pkl h TYR 345 Ca 0.16 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1pkl h TYR 345 Cb -0.05 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 37.87 1pkl h TYR 345 CO -0.04 0.91 0.19 1.98 -1.32 0.00 0.00 178.16 179.88 1pkl h MET 346 N 1.07 0.57 -0.77 1.82 4.05 -0.18 -1.31 114.93 120.18 1pkl h MET 346 Ca 0.24 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1pkl h MET 346 Cb 0.28 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 1pkl h MET 346 CO -0.01 0.51 0.48 0.00 0.23 0.00 0.00 176.91 178.12 1pkl h ALA 347 N 1.03 0.98 -0.89 0.39 0.00 -0.83 -1.47 119.26 118.47 1pkl h ALA 347 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pkl h ALA 347 Cb 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1pkl h ALA 347 CO -0.02 0.43 0.55 -0.09 0.00 0.00 0.00 179.25 180.13 1pkl h ARG 348 N 1.05 1.20 -0.53 0.00 2.43 -0.80 -0.42 114.38 117.31 1pkl h ARG 348 Ca 0.28 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 1pkl h ARG 348 Cb -0.06 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.21 1pkl h ARG 348 CO -0.05 0.83 -0.14 0.82 -1.51 0.00 0.00 179.97 179.91 1pkl h ILE 349 N 1.22 1.27 -0.34 1.20 2.04 -0.80 -2.13 117.51 119.97 1pkl h ILE 349 Ca 0.32 -1.31 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 1pkl h ILE 349 Cb -0.08 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1pkl h ILE 349 CO -0.06 0.46 -0.18 0.00 0.00 0.00 0.00 178.15 178.36 1pkl h LEU 351 N 0.56 0.55 -0.41 0.00 6.46 -0.96 -1.41 115.31 120.09 1pkl h LEU 351 Ca 0.09 -0.36 -0.06 0.00 -0.12 0.00 0.00 57.88 57.43 1pkl h LEU 351 Cb 0.63 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1pkl h LEU 351 CO 0.04 0.78 0.01 -0.08 -0.62 0.00 0.00 178.44 178.57 1pkl h GLU 352 N 0.31 0.72 -0.88 1.25 4.57 -1.19 -2.59 114.58 116.77 1pkl h GLU 352 Ca 0.07 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1pkl h GLU 352 Cb 0.53 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1pkl h GLU 352 CO 0.03 0.80 0.57 0.00 -1.18 0.00 0.00 179.01 179.23 1pkl h ALA 353 N 0.90 1.12 -0.65 2.92 0.00 -0.93 -2.58 119.26 120.03 1pkl h ALA 353 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 353 Cb 0.47 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1pkl h ALA 353 CO 0.02 0.54 0.40 0.37 0.00 0.00 0.00 179.25 180.57 1pkl h GLN 354 N 1.20 0.89 -0.28 0.00 4.15 -1.05 -2.22 115.11 117.79 1pkl h GLN 354 Ca 0.32 -0.08 0.08 0.00 0.77 0.00 0.00 58.65 59.74 1pkl h GLN 354 Cb -0.12 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.37 1pkl h GLN 354 CO -0.07 0.63 0.24 0.66 -1.93 0.00 0.00 178.83 178.36 1pkl h SER 355 N 0.89 0.00 0.43 -0.69 4.64 -1.07 -1.37 113.55 116.38 1pkl h SER 355 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1pkl h SER 355 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1pkl h SER 355 CO -0.04 0.00 -1.05 0.00 -0.87 0.00 0.00 176.83 174.86 1pkl n ALA 356 N -2.46 3.38 -2.26 5.18 0.00 -0.89 -4.95 120.51 118.51 1pkl n ALA 356 Ca 0.04 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1pkl n ALA 356 Cb 0.40 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 1pkl n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pkl s LEU 357 N -3.96 4.35 -0.74 0.00 0.20 -0.52 -4.86 118.68 113.15 1pkl s LEU 357 Ca 0.03 2.17 -0.18 0.00 0.69 0.00 0.00 54.13 56.84 1pkl s LEU 357 Cb 0.14 -3.58 0.13 0.00 -0.43 0.00 0.00 46.19 42.46 1pkl s LEU 357 CO 0.81 -0.61 0.86 0.21 -0.29 0.00 0.00 176.35 177.32 1pkl s ASN 358 N 1.29 6.43 0.40 3.68 2.47 -1.26 -4.88 114.94 123.06 1pkl s ASN 358 Ca 0.62 -1.85 0.28 0.00 0.42 0.00 0.00 52.86 52.34 1pkl s ASN 358 Cb -0.33 -2.32 1.13 0.00 -1.45 0.00 0.00 41.25 38.28 1pkl s ASN 358 CO 0.29 -1.01 1.84 -0.33 -3.72 0.00 0.00 177.10 174.17 1pkl h GLU 359 N 8.82 0.00 -0.02 0.43 5.08 -1.93 -2.83 114.58 124.12 1pkl h GLU 359 Ca -0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1pkl h GLU 359 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1pkl h GLU 359 CO 1.04 0.00 -0.33 -0.92 -1.00 0.00 0.00 179.01 177.79 1pkl h TYR 360 N 0.00 0.04 -0.29 4.33 3.20 -1.90 -1.69 116.97 120.65 1pkl h TYR 360 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1pkl h TYR 360 Cb 0.47 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1pkl h TYR 360 CO 0.00 0.37 0.15 0.28 -1.64 0.00 0.00 178.16 177.31 1pkl h VAL 361 N 0.03 1.15 -0.01 1.81 2.07 -1.89 0.49 116.25 119.90 1pkl h VAL 361 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1pkl h VAL 361 Cb 0.61 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1pkl h VAL 361 CO 0.04 0.15 -0.01 -0.26 0.02 0.00 0.00 177.57 177.51 1pkl h PHE 362 N 0.34 -0.02 0.04 1.57 -1.00 -1.60 0.50 116.94 116.77 1pkl h PHE 362 Ca 0.10 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.91 1pkl h PHE 362 Cb 0.11 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 1pkl h PHE 362 CO -0.02 -0.02 -0.21 0.35 -1.61 0.00 0.00 178.31 176.80 1pkl h PHE 363 N -0.01 -0.55 0.00 -0.55 3.57 -1.07 0.51 116.94 118.84 1pkl h PHE 363 Ca 0.01 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1pkl h PHE 363 Cb 0.03 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1pkl h PHE 363 CO -0.09 -0.30 -0.30 -0.97 -2.23 0.00 0.00 178.31 174.42 1pkl h ASN 364 N -0.36 0.00 0.37 0.41 -0.73 -0.80 0.69 115.58 115.16 1pkl h ASN 364 Ca 0.05 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.01 1pkl h ASN 364 Cb 0.41 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 1pkl h ASN 364 CO -0.16 0.30 -0.87 0.28 -0.37 0.00 0.00 177.43 176.60 1pkl h SER 365 N 0.00 0.46 0.14 1.15 0.02 -0.51 -2.13 113.55 112.68 1pkl h SER 365 Ca -0.00 -0.35 -0.24 0.00 -0.84 0.00 0.00 61.79 60.35 1pkl h SER 365 Cb 0.80 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.22 1pkl h SER 365 CO 0.04 1.13 -0.97 0.40 -1.14 0.00 0.00 176.83 176.30 1pkl h ILE 366 N 0.22 1.33 -0.37 3.27 2.04 -0.53 -3.11 117.51 120.35 1pkl h ILE 366 Ca -0.06 -2.30 -0.04 0.00 1.00 0.00 0.00 64.86 63.46 1pkl h ILE 366 Cb 1.49 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 1pkl h ILE 366 CO 0.15 0.70 0.07 0.50 0.00 0.00 0.00 178.15 179.57 1pkl h LYS 367 N 0.33 0.61 0.00 2.37 3.64 -0.89 -2.87 116.57 119.77 1pkl h LYS 367 Ca -0.10 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1pkl h LYS 367 Cb 1.60 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1pkl h LYS 367 CO 0.18 0.66 -0.00 0.87 -2.27 0.00 0.00 179.45 178.89 1pkl h LYS 368 N 0.46 0.00 0.00 1.90 1.57 -1.41 -2.63 116.57 116.46 1pkl h LYS 368 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1pkl h LYS 368 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1pkl h LYS 368 CO 0.00 0.00 -0.89 -0.07 -0.57 0.00 0.00 179.45 177.93 1pkl h LEU 369 N 0.00 0.00 -9.93 2.94 3.38 -1.44 -3.48 115.31 106.79 1pkl h LEU 369 Ca -0.00 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.42 1pkl h LEU 369 Cb 0.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.83 1pkl h LEU 369 CO 0.00 0.01 0.59 -1.10 0.09 0.00 0.00 178.44 178.04 1pkl s GLN 370 N -3.33 4.07 -0.06 1.13 -1.52 -0.99 -5.01 119.66 113.94 1pkl s GLN 370 Ca 0.01 2.10 -0.15 0.00 -1.95 0.00 0.00 55.36 55.37 1pkl s GLN 370 Cb 0.10 -2.81 -0.05 0.00 -0.22 0.00 0.00 33.01 30.02 1pkl s GLN 370 CO 0.77 -0.39 0.38 -1.58 -0.25 0.00 0.00 175.29 174.22 1pkl s HIS 371 N -1.26 3.63 -0.17 0.91 2.46 -1.26 -5.05 115.29 114.54 1pkl s HIS 371 Ca 0.55 0.86 -0.11 0.00 0.47 0.00 0.00 55.06 56.83 1pkl s HIS 371 Cb -0.37 -2.32 -0.05 0.00 -0.13 0.00 0.00 32.58 29.72 1pkl s HIS 371 CO 0.48 0.49 0.18 0.42 -2.47 0.00 0.00 174.74 173.83 1pkl s ILE 372 N -0.46 5.39 0.51 0.89 1.01 -1.26 -2.69 121.20 124.59 1pkl s ILE 372 Ca 0.22 0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.99 1pkl s ILE 372 Cb -0.15 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 1pkl s ILE 372 CO 0.10 0.46 1.01 -2.16 0.00 0.00 0.00 174.94 174.34 1pkl s PRO 373 N 0.15 3.83 0.40 2.79 0.04 -1.26 -5.19 135.00 135.75 1pkl s PRO 373 Ca 0.12 1.13 0.08 0.00 0.04 0.00 0.00 61.00 62.36 1pkl s PRO 373 Cb -0.12 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1pkl s PRO 373 CO 0.01 -0.38 0.35 0.00 0.04 0.00 0.00 177.00 177.02 1pkl s MET 374 N -3.73 2.56 0.74 4.56 0.23 -1.09 -5.11 119.30 117.47 1pkl s MET 374 Ca 0.62 -1.49 -0.11 0.00 -1.03 0.00 0.00 55.69 53.68 1pkl s MET 374 Cb -0.12 -2.39 0.04 0.00 -1.53 0.00 0.00 34.83 30.83 1pkl s MET 374 CO 0.27 -0.12 1.08 -1.54 -2.03 0.00 0.00 175.02 172.67 1pkl s SER 375 N -4.09 4.88 0.15 -1.18 1.04 -1.26 -4.84 113.70 108.41 1pkl s SER 375 Ca 0.46 1.62 -0.20 0.00 0.48 0.00 0.00 55.95 58.31 1pkl s SER 375 Cb -0.04 -2.41 0.03 0.00 0.10 0.00 0.00 66.02 63.71 1pkl s SER 375 CO 0.27 -1.76 1.66 0.00 0.98 0.00 0.00 173.24 174.39 1pkl h ALA 376 N -0.94 0.06 -0.35 5.32 0.00 -1.99 -1.38 119.26 119.98 1pkl h ALA 376 Ca -0.45 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1pkl h ALA 376 Cb 1.23 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.31 1pkl h ALA 376 CO 0.55 -0.55 0.06 0.38 0.00 0.00 0.00 179.25 179.69 1pkl h ASP 377 N -0.12 -0.01 -0.11 0.00 2.03 -1.98 0.15 116.42 116.39 1pkl h ASP 377 Ca 0.14 0.06 0.03 0.00 -0.73 0.00 0.00 57.03 56.53 1pkl h ASP 377 Cb 0.33 0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 38.89 1pkl h ASP 377 CO -0.34 0.03 -0.07 -0.08 -1.03 0.00 0.00 179.24 177.75 1pkl h GLU 378 N 0.18 -0.07 -0.53 4.15 4.57 -1.88 -0.87 114.58 120.12 1pkl h GLU 378 Ca 0.17 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1pkl h GLU 378 Cb 0.19 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1pkl h GLU 378 CO -0.23 -0.05 0.06 0.00 -1.18 0.00 0.00 179.01 177.62 1pkl h ALA 379 N 1.02 1.11 -0.34 2.92 0.00 -0.74 -2.72 119.26 120.51 1pkl h ALA 379 Ca 0.07 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1pkl h ALA 379 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pkl h ALA 379 CO -0.15 0.58 -0.13 0.28 0.00 0.00 0.00 179.25 179.83 1pkl h VAL 380 N 0.81 1.28 -0.22 0.00 2.07 -0.40 -2.37 116.25 117.42 1pkl h VAL 380 Ca 0.17 -1.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 1pkl h VAL 380 Cb 0.39 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1pkl h VAL 380 CO 0.01 0.40 -0.29 0.00 0.02 0.00 0.00 177.57 177.71 1pkl h SER 382 N 0.39 0.91 -0.35 0.00 4.64 -1.49 -2.19 113.55 115.45 1pkl h SER 382 Ca 0.05 -0.64 -0.10 0.00 -0.47 0.00 0.00 61.79 60.63 1pkl h SER 382 Cb 0.70 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1pkl h SER 382 CO 0.05 1.41 -0.12 0.28 -0.87 0.00 0.00 176.83 177.58 1pkl h SER 383 N 0.48 0.79 -0.34 4.97 0.02 -1.31 0.29 113.55 118.45 1pkl h SER 383 Ca -0.06 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1pkl h SER 383 Cb 1.41 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1pkl h SER 383 CO 0.16 0.93 0.12 0.00 -1.14 0.00 0.00 176.83 176.90 1pkl h ALA 384 N 1.14 0.44 0.00 3.77 0.00 -1.02 0.79 119.26 124.37 1pkl h ALA 384 Ca 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1pkl h ALA 384 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pkl h ALA 384 CO 0.04 0.06 -0.40 0.28 0.00 0.00 0.00 179.25 179.22 1pkl h VAL 385 N 0.39 1.07 -0.29 0.00 2.07 -1.15 -2.39 116.25 115.95 1pkl h VAL 385 Ca 0.11 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1pkl h VAL 385 Cb 0.21 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1pkl h VAL 385 CO -0.01 0.39 -0.02 -1.13 0.02 0.00 0.00 177.57 176.83 1pkl h ASN 386 N 0.00 0.52 -0.68 0.57 -0.00 0.20 -2.66 115.58 113.53 1pkl h ASN 386 Ca -0.00 -0.33 0.02 0.00 -0.00 0.00 0.00 56.30 55.99 1pkl h ASN 386 Cb 0.82 -0.14 -0.04 0.00 -0.00 0.00 0.00 38.32 38.97 1pkl h ASN 386 CO 0.05 0.72 0.45 0.28 -0.00 0.00 0.00 177.43 178.94 1pkl h SER 387 N 0.31 0.75 -0.20 1.15 0.02 -0.56 -0.32 113.55 114.69 1pkl h SER 387 Ca 0.08 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1pkl h SER 387 Cb 0.47 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1pkl h SER 387 CO 0.02 0.53 0.09 0.58 -1.14 0.00 0.00 176.83 176.91 1pkl h VAL 388 N 0.88 0.99 -0.52 2.27 2.07 -1.14 0.10 116.25 120.89 1pkl h VAL 388 Ca 0.26 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.63 1pkl h VAL 388 Cb -0.03 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1pkl h VAL 388 CO -0.06 0.04 0.01 1.88 0.02 0.00 0.00 177.57 179.45 1pkl h TYR 389 N 0.21 0.94 0.14 1.57 0.05 -1.00 0.26 116.97 119.14 1pkl h TYR 389 Ca 0.08 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1pkl h TYR 389 Cb 0.03 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.51 1pkl h TYR 389 CO -0.10 0.85 -0.07 0.93 -1.05 0.00 0.00 178.16 178.73 1pkl h GLU 390 N 0.82 -0.19 -0.00 4.88 5.08 -0.69 -3.17 114.58 121.30 1pkl h GLU 390 Ca 0.16 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1pkl h GLU 390 Cb 0.48 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1pkl h GLU 390 CO 0.02 0.11 -0.26 0.25 -1.00 0.00 0.00 179.01 178.14 1pkl n THR 391 N -5.04 0.00 -3.70 1.13 -2.24 0.32 -4.93 114.28 99.82 1pkl n THR 391 Ca -0.09 -0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.37 1pkl n THR 391 Cb 0.21 0.15 0.06 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.03 -7.20 -1.75 -0.78 5.02 0.85 -4.93 118.16 108.34 1pkl n LYS 392 Ca 0.11 0.76 -0.37 0.00 -2.02 0.00 0.00 58.31 56.78 1pkl n LYS 392 Cb 0.32 -5.76 0.06 0.00 -0.02 0.00 0.00 35.03 29.63 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 -3.32 2.51 -2.25 7.82 0.00 -0.84 -4.93 121.76 120.75 1pkl s ALA 393 Ca 0.60 1.26 0.25 0.00 0.00 0.00 0.00 51.96 54.07 1pkl s ALA 393 Cb -0.28 -3.56 0.37 0.00 0.00 0.00 0.00 23.12 19.65 1pkl s ALA 393 CO 0.76 -1.54 1.33 1.63 0.00 0.00 0.00 175.76 177.94 1pkl n LYS 394 N -1.64 1.44 -3.48 0.00 5.02 -1.03 -4.82 118.16 113.65 1pkl n LYS 394 Ca 0.14 -1.08 -0.10 0.00 -2.02 0.00 0.00 58.31 55.24 1pkl n LYS 394 Cb 0.47 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.31 -1.76 0.01 7.82 0.00 -1.26 -4.19 121.76 120.07 1pkl s ALA 395 Ca 0.25 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.17 1pkl s ALA 395 Cb 0.19 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1pkl s ALA 395 CO 0.47 -0.66 -0.17 -1.64 0.00 0.00 0.00 175.76 173.75 1pkl s MET 396 N -3.04 1.29 -0.19 0.00 -1.94 -0.84 -2.05 119.30 112.53 1pkl s MET 396 Ca 0.02 -0.68 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 1pkl s MET 396 Cb -0.01 -1.29 0.03 0.00 2.01 0.00 0.00 34.83 35.57 1pkl s MET 396 CO -0.08 0.34 -0.17 0.08 -0.01 0.00 0.00 175.02 175.18 1pkl s VAL 397 N -0.53 1.97 -0.23 -6.03 1.01 0.49 -0.63 120.40 116.46 1pkl s VAL 397 Ca 0.06 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1pkl s VAL 397 Cb -0.07 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1pkl s VAL 397 CO 0.00 0.40 -0.07 -0.69 0.00 0.00 0.00 175.10 174.75 1pkl s VAL 398 N 1.30 3.03 -0.49 2.92 1.01 0.21 -0.64 120.40 127.73 1pkl s VAL 398 Ca 0.02 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 1pkl s VAL 398 Cb -0.14 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.86 1pkl s VAL 398 CO -0.11 0.36 0.73 -0.76 0.00 0.00 0.00 175.10 175.32 1pkl s LEU 399 N 1.40 4.52 -0.05 3.92 1.43 -0.69 -1.12 118.68 128.10 1pkl s LEU 399 Ca 0.04 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1pkl s LEU 399 Cb -0.15 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1pkl s LEU 399 CO -0.05 -0.95 0.00 -0.55 0.23 0.00 0.00 176.35 175.03 1pkl s SER 400 N 2.47 0.94 -0.03 2.29 0.15 -1.06 -4.53 113.70 113.94 1pkl s SER 400 Ca 0.23 -0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 1pkl s SER 400 Cb -0.15 -0.31 -0.28 0.00 -1.71 0.00 0.00 66.02 63.56 1pkl s SER 400 CO 0.17 -0.14 0.74 0.78 1.20 0.00 0.00 173.24 176.00 1pkl h ASN 401 N 7.70 0.45 0.07 5.45 -0.26 -1.95 -3.36 115.58 123.69 1pkl h ASN 401 Ca -0.31 -0.68 0.00 0.00 -0.56 0.00 0.00 56.30 54.75 1pkl h ASN 401 Cb 1.13 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1pkl h ASN 401 CO 0.37 1.57 -1.09 0.35 -1.06 0.00 0.00 177.43 177.57 1pkl n THR 402 N -3.48 0.01 -0.53 2.81 -2.24 -1.26 -4.44 114.28 105.15 1pkl n THR 402 Ca -0.20 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1pkl n THR 402 Cb 1.06 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 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 1.46 0.76 0.28 3.38 0.00 -1.26 -4.89 105.19 104.93 1pkl n GLY 403 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1pkl n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pkl h ARG 404 N 3.66 -0.64 -0.42 1.61 2.43 -1.93 -2.01 114.38 117.07 1pkl h ARG 404 Ca 0.00 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1pkl h ARG 404 Cb 0.00 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1pkl h ARG 404 CO 0.00 -0.42 0.24 0.77 -1.51 0.00 0.00 179.97 179.06 1pkl h SER 405 N -0.69 0.52 -0.91 -3.80 0.02 -1.93 -1.41 113.55 105.35 1pkl h SER 405 Ca -0.07 -0.07 0.09 0.00 -0.84 0.00 0.00 61.79 60.90 1pkl h SER 405 Cb 0.52 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1pkl h SER 405 CO 0.11 0.44 0.56 0.00 -1.14 0.00 0.00 176.83 176.80 1pkl h ALA 406 N 1.10 1.30 -0.10 3.77 0.00 -1.91 0.14 119.26 123.57 1pkl h ALA 406 Ca 0.15 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1pkl h ALA 406 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pkl h ALA 406 CO -0.03 0.25 -0.60 -0.09 0.00 0.00 0.00 179.25 178.78 1pkl h ARG 407 N 0.97 0.32 -0.16 0.00 2.43 -0.98 -1.51 114.38 115.45 1pkl h ARG 407 Ca 0.42 -0.22 -0.19 0.00 -0.81 0.00 0.00 59.98 59.18 1pkl h ARG 407 Cb 0.30 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1pkl h ARG 407 CO -0.22 0.83 -0.64 1.25 -1.51 0.00 0.00 179.97 179.68 1pkl h LEU 408 N 0.24 0.84 -0.27 3.80 5.85 -0.36 -2.43 115.31 122.99 1pkl h LEU 408 Ca -0.01 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.08 1pkl h LEU 408 Cb 1.12 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1pkl h LEU 408 CO 0.10 1.31 0.07 0.58 -0.34 0.00 0.00 178.44 180.17 1pkl h VAL 409 N 0.42 1.21 -0.03 1.05 2.07 -0.72 -2.59 116.25 117.66 1pkl h VAL 409 Ca -0.03 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1pkl h VAL 409 Cb 1.27 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1pkl h VAL 409 CO 0.13 0.22 0.03 0.00 0.02 0.00 0.00 177.57 177.98 1pkl h ALA 410 N 0.90 1.71 -0.55 1.67 0.00 -1.26 -1.27 119.26 120.45 1pkl h ALA 410 Ca 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 410 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1pkl h ALA 410 CO -0.00 -0.05 0.22 -0.22 0.00 0.00 0.00 179.25 179.20 1pkl h LYS 411 N 0.00 0.80 0.00 0.00 3.64 -1.01 -2.41 116.57 117.58 1pkl h LYS 411 Ca 0.02 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1pkl h LYS 411 Cb 0.08 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1pkl h LYS 411 CO -0.00 0.66 0.00 0.66 -2.27 0.00 0.00 179.45 178.50 1pkl n TYR 412 N -4.33 0.00 -3.23 1.91 4.01 -0.48 -4.85 117.16 110.19 1pkl n TYR 412 Ca 0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.69 1pkl n TYR 412 Cb 0.16 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 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 -1.38 -1.58 -2.39 -0.72 5.12 -0.91 -3.58 116.66 111.22 1pkl n ARG 413 Ca 0.09 1.42 -0.34 0.00 -1.93 0.00 0.00 57.85 57.08 1pkl n ARG 413 Cb 0.22 -4.69 -0.02 0.00 -1.16 0.00 0.00 32.46 26.81 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 -3.36 3.63 -0.30 5.56 0.02 -1.26 -4.60 135.00 134.68 1pkl s PRO 414 Ca 0.06 1.35 -0.01 0.00 0.02 0.00 0.00 61.00 62.43 1pkl s PRO 414 Cb -0.01 -2.07 0.21 0.00 0.02 0.00 0.00 34.50 32.65 1pkl s PRO 414 CO 0.80 -0.57 2.00 0.27 -0.33 0.00 0.00 177.00 179.16 1pkl n ASN 415 N -1.27 6.32 -3.66 2.53 6.94 -1.26 -4.83 115.26 120.03 1pkl n ASN 415 Ca 0.09 -3.03 -0.11 0.00 -0.02 0.00 0.00 54.58 51.52 1pkl n ASN 415 Cb 0.52 -1.05 -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 0.01 1.57 -4.51 0.00 -0.02 -1.26 -4.81 135.00 125.97 1pkl n PRO 417 Ca -0.17 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1pkl n PRO 417 Cb 0.62 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.31 3.39 -0.22 4.25 1.01 -0.89 -1.99 121.20 125.45 1pkl s ILE 418 Ca 0.70 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 1pkl s ILE 418 Cb -0.44 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.58 1pkl s ILE 418 CO 0.50 0.50 -0.09 -0.69 0.00 0.00 0.00 174.94 175.16 1pkl s VAL 419 N 0.52 2.87 -0.19 2.92 1.01 0.20 -1.46 120.40 126.27 1pkl s VAL 419 Ca -0.06 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1pkl s VAL 419 Cb -0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1pkl s VAL 419 CO 0.03 0.38 0.09 0.00 0.00 0.00 0.00 175.10 175.61 1pkl s VAL 421 N 0.33 3.68 0.21 0.00 1.01 -0.27 0.07 120.40 125.43 1pkl s VAL 421 Ca 0.05 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1pkl s VAL 421 Cb -0.12 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1pkl s VAL 421 CO -0.01 0.17 -0.20 -0.89 0.00 0.00 0.00 175.10 174.17 1pkl s THR 422 N 1.47 2.15 -1.93 3.92 2.01 -0.76 -2.55 115.64 119.95 1pkl s THR 422 Ca 0.03 -2.15 0.23 0.00 0.31 0.00 0.00 61.69 60.11 1pkl s THR 422 Cb -0.17 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.27 1pkl s THR 422 CO 0.00 -0.34 1.15 0.35 -0.69 0.00 0.00 174.62 175.10 1pkl n THR 423 N -0.10 0.00 -4.37 -0.82 -2.24 -1.26 0.01 114.28 105.50 1pkl n THR 423 Ca -0.10 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.12 1pkl n THR 423 Cb 0.58 1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.80 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 -2.52 3.59 0.30 -0.78 0.52 -1.26 -4.67 118.95 114.12 1pkl s ARG 424 Ca 0.19 -0.56 0.13 0.00 -0.52 0.00 0.00 55.73 54.97 1pkl s ARG 424 Cb 0.18 -2.90 0.40 0.00 0.52 0.00 0.00 34.95 33.15 1pkl s ARG 424 CO 0.58 0.16 1.61 1.25 0.02 0.00 0.00 175.30 178.93 1pkl h LEU 425 N 6.96 0.00 -1.06 2.53 5.85 -1.94 -3.08 115.31 124.57 1pkl h LEU 425 Ca -0.32 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 1pkl h LEU 425 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1pkl h LEU 425 CO 0.61 0.56 -0.37 -0.61 -0.34 0.00 0.00 178.44 178.28 1pkl h GLN 426 N 0.00 0.00 -0.26 1.25 4.15 -1.96 -2.49 115.11 115.80 1pkl h GLN 426 Ca -0.01 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.27 1pkl h GLN 426 Cb 1.10 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 1pkl h GLN 426 CO 0.07 0.37 -0.42 1.15 -1.93 0.00 0.00 178.83 178.07 1pkl h THR 427 N 0.00 1.30 -0.76 2.39 2.02 -1.84 0.11 112.91 116.12 1pkl h THR 427 Ca -0.00 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.55 1pkl h THR 427 Cb 0.83 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 1pkl h THR 427 CO 0.05 0.51 0.39 0.00 0.37 0.00 0.00 175.52 176.83 1pkl h ARG 429 N 1.07 0.32 -0.12 0.00 3.08 -1.18 -3.32 114.38 114.23 1pkl h ARG 429 Ca 0.26 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1pkl h ARG 429 Cb 0.07 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1pkl h ARG 429 CO -0.04 0.99 -0.21 1.96 -1.07 0.00 0.00 179.97 181.61 1pkl h GLN 430 N -0.24 0.20 0.00 0.04 4.20 -0.65 -1.71 115.11 116.95 1pkl h GLN 430 Ca -0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1pkl h GLN 430 Cb 1.12 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1pkl h GLN 430 CO 0.08 0.40 0.00 1.28 -0.67 0.00 0.00 178.83 179.93 1pkl n LEU 431 N -4.22 0.00 0.05 1.46 4.77 -0.34 -2.98 117.00 115.75 1pkl n LEU 431 Ca -0.01 0.05 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 1pkl n LEU 431 Cb 0.32 -0.05 0.39 0.00 -2.33 0.00 0.00 43.42 41.74 1pkl n LEU 431 CO 0.39 -0.02 0.79 0.59 -1.33 0.00 0.00 177.39 177.80 1pkl n ASN 432 N -1.05 0.28 -0.91 -1.43 3.02 -0.64 -1.82 115.26 112.71 1pkl n ASN 432 Ca 0.13 0.57 0.09 0.00 -0.03 0.00 0.00 54.58 55.34 1pkl n ASN 432 Cb 0.08 -0.63 0.17 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.80 0.53 -3.84 2.41 -5.35 -1.16 -4.78 119.36 105.36 1pkl n ILE 433 Ca 0.03 -0.76 -0.36 0.00 -0.27 0.00 0.00 62.75 61.39 1pkl n ILE 433 Cb 0.20 0.92 -0.12 0.00 -1.74 0.00 0.00 39.64 38.90 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 -1.25 4.35 0.50 7.28 2.01 -0.75 -4.51 115.64 123.26 1pkl s THR 434 Ca 0.30 -0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.91 1pkl s THR 434 Cb 0.18 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.61 1pkl s THR 434 CO 0.25 0.37 1.32 -1.58 -0.69 0.00 0.00 174.62 174.28 1pkl s GLN 435 N 1.34 3.44 -0.53 4.92 -0.44 -1.26 -3.77 119.66 123.36 1pkl s GLN 435 Ca 0.05 2.14 0.00 0.00 -2.50 0.00 0.00 55.36 55.05 1pkl s GLN 435 Cb -0.15 -2.40 0.00 0.00 -1.64 0.00 0.00 33.01 28.83 1pkl s GLN 435 CO 0.03 -0.92 0.00 0.41 0.50 0.00 0.00 175.29 175.31 1pkl n GLY 436 N 0.64 0.66 3.38 2.59 0.00 0.22 -4.94 105.19 107.73 1pkl n GLY 436 Ca 0.08 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.83 2.19 -0.01 1.61 1.01 -1.25 -2.09 120.40 120.03 1pkl s VAL 437 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1pkl s VAL 437 Cb 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1pkl s VAL 437 CO 0.00 0.04 0.01 -1.61 0.00 0.00 0.00 175.10 173.54 1pkl s GLU 438 N -2.12 0.01 -0.01 2.72 2.02 -0.54 -4.96 118.70 115.83 1pkl s GLU 438 Ca 0.14 0.08 -0.01 0.00 0.02 0.00 0.00 54.97 55.20 1pkl s GLU 438 Cb -0.10 -0.14 -0.04 0.00 0.10 0.00 0.00 34.13 33.95 1pkl s GLU 438 CO 0.06 -0.08 0.09 -1.12 0.02 0.00 0.00 175.26 174.23 1pkl s SER 439 N 0.51 5.72 -0.17 -0.19 0.01 -1.26 -0.17 113.70 118.16 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 -0.06 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.54 1pkl s SER 439 CO -0.01 0.27 -0.15 -0.69 0.41 0.00 0.00 173.24 173.07 1pkl s VAL 440 N -1.20 1.74 -0.03 3.43 1.01 0.11 -4.93 120.40 120.53 1pkl s VAL 440 Ca 0.23 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 1pkl s VAL 440 Cb -0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1pkl s VAL 440 CO 0.14 0.44 0.89 0.12 0.00 0.00 0.00 175.10 176.69 1pkl s PHE 441 N 1.41 3.61 -0.27 5.22 5.36 -1.26 -1.82 117.98 130.23 1pkl s PHE 441 Ca 0.04 1.53 -0.01 0.00 -0.96 0.00 0.00 56.93 57.53 1pkl s PHE 441 Cb -0.13 -3.02 0.04 0.00 -0.34 0.00 0.00 43.02 39.56 1pkl s PHE 441 CO -0.11 -0.00 -0.05 0.12 -1.46 0.00 0.00 175.22 173.72 1pkl s PHE 442 N 1.06 3.16 -0.85 10.12 5.36 0.10 -4.94 117.98 131.99 1pkl s PHE 442 Ca 0.47 -1.77 -0.25 0.00 -0.96 0.00 0.00 56.93 54.41 1pkl s PHE 442 Cb -0.20 -2.06 0.03 0.00 -0.34 0.00 0.00 43.02 40.46 1pkl s PHE 442 CO 0.24 -0.78 1.41 0.34 -1.46 0.00 0.00 175.22 174.97 1pkl s ASP 443 N 1.27 6.20 0.12 6.13 -1.08 -1.26 -4.11 116.67 123.94 1pkl s ASP 443 Ca -0.03 -0.80 0.11 0.00 -0.52 0.00 0.00 52.55 51.30 1pkl s ASP 443 Cb -0.18 -2.56 0.53 0.00 -1.46 0.00 0.00 42.92 39.25 1pkl s ASP 443 CO -0.03 -1.78 1.33 0.00 0.52 0.00 0.00 175.17 175.20 1pkl n ALA 444 N 9.57 1.16 -0.04 3.66 0.00 -1.26 -0.81 120.51 132.79 1pkl n ALA 444 Ca 0.17 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 1pkl n ALA 444 Cb 0.50 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 1pkl n ALA 444 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pkl n ASP 445 N -1.80 1.10 -1.06 0.00 9.92 -1.26 -3.40 116.55 120.05 1pkl n ASP 445 Ca 0.00 0.26 0.09 0.00 -0.53 0.00 0.00 54.79 54.62 1pkl n ASP 445 Cb 0.05 -0.10 0.25 0.00 -0.64 0.00 0.00 41.12 40.68 1pkl n ASP 445 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1pkl n LYS 446 N -3.11 2.77 0.00 -1.24 5.02 -0.72 -4.62 118.16 116.26 1pkl n LYS 446 Ca -0.25 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.64 1pkl n LYS 446 Cb 1.06 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 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 1.18 0.00 0.00 -0.35 4.77 0.01 -5.02 117.00 117.60 1pkl n LEU 447 Ca 0.19 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1pkl n LEU 447 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1pkl n LEU 447 CO 0.13 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1pkl n GLY 448 N 0.06 2.57 0.00 -0.72 0.00 -1.22 -4.76 105.19 101.12 1pkl n GLY 448 Ca 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.38 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 1.17 0.00 -4.25 1.61 8.25 -1.26 -4.63 115.22 116.12 1pkl n HIS 449 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1pkl n HIS 449 Cb 0.00 -0.07 -0.06 0.00 1.12 0.00 0.00 29.99 30.98 1pkl n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1pkl n ASP 450 N -1.07 -0.66 -4.66 0.41 2.03 -1.26 -4.85 116.55 106.48 1pkl n ASP 450 Ca 0.05 -1.29 -0.43 0.00 0.52 0.00 0.00 54.79 53.65 1pkl n ASP 450 Cb 0.03 -1.58 -0.02 0.00 -0.72 0.00 0.00 41.12 38.83 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 -7.43 4.22 0.00 -0.67 2.02 -1.26 -1.52 118.70 114.06 1pkl s GLU 451 Ca 0.16 1.91 0.00 0.00 0.02 0.00 0.00 54.97 57.06 1pkl s GLU 451 Cb -0.09 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.30 1pkl s GLU 451 CO 0.99 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 175.93 1pkl n GLY 452 N 3.83 1.65 2.82 -1.39 0.00 -1.26 -4.83 105.19 106.01 1pkl n GLY 452 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -1.41 -0.16 1.61 5.02 -0.57 -4.90 118.16 117.74 1pkl n LYS 453 Ca 0.00 0.35 -0.09 0.00 -2.02 0.00 0.00 58.31 56.55 1pkl n LYS 453 Cb 0.00 -4.48 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 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 0.28 0.74 -0.38 1.97 5.08 -1.88 -1.55 114.58 118.83 1pkl h GLU 454 Ca 0.00 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1pkl h GLU 454 Cb 0.71 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1pkl h GLU 454 CO 0.00 0.73 -0.35 0.45 -1.00 0.00 0.00 179.01 178.84 1pkl h HIS 455 N 0.61 1.06 -0.41 4.33 3.86 -1.90 -1.74 115.15 120.97 1pkl h HIS 455 Ca 0.14 -0.31 -0.09 0.00 -1.16 0.00 0.00 60.37 58.96 1pkl h HIS 455 Cb 0.33 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1pkl h HIS 455 CO 0.02 1.11 -0.08 0.00 0.86 0.00 0.00 177.93 179.85 1pkl h ARG 456 N 0.74 0.78 -0.70 2.45 3.08 -1.90 -0.80 114.38 118.03 1pkl h ARG 456 Ca 0.07 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1pkl h ARG 456 Cb 0.93 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1pkl h ARG 456 CO 0.09 0.90 0.35 0.28 -1.07 0.00 0.00 179.97 180.51 1pkl h VAL 457 N 0.60 1.23 -0.84 2.04 2.07 -1.24 -0.65 116.25 119.46 1pkl h VAL 457 Ca 0.11 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1pkl h VAL 457 Cb 0.59 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1pkl h VAL 457 CO 0.04 0.26 0.39 0.00 0.02 0.00 0.00 177.57 178.28 1pkl h ALA 458 N 1.17 1.08 -0.33 1.67 0.00 -1.13 -0.76 119.26 120.96 1pkl h ALA 458 Ca 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 458 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1pkl h ALA 458 CO -0.03 0.66 0.13 0.00 0.00 0.00 0.00 179.25 180.01 1pkl h ALA 459 N 1.21 0.43 -0.62 0.00 0.00 -0.48 -0.01 119.26 119.80 1pkl h ALA 459 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pkl h ALA 459 Cb 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1pkl h ALA 459 CO -0.03 0.04 0.27 0.78 0.00 0.00 0.00 179.25 180.30 1pkl h GLY 460 N 0.39 0.98 1.20 0.00 0.00 -0.79 -1.91 103.07 102.93 1pkl h GLY 460 Ca 0.11 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 1pkl h GLY 460 CO -0.01 0.48 -0.02 -2.08 0.00 0.00 0.00 176.54 174.92 1pkl h VAL 461 N 0.86 1.26 -0.48 4.60 2.07 -0.97 -1.89 116.25 121.70 1pkl h VAL 461 Ca 0.21 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1pkl h VAL 461 Cb 0.17 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1pkl h VAL 461 CO -0.02 0.40 0.17 -0.08 0.02 0.00 0.00 177.57 178.07 1pkl h GLU 462 N 0.88 0.73 -0.59 1.57 4.57 -0.79 -1.46 114.58 119.48 1pkl h GLU 462 Ca 0.16 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1pkl h GLU 462 Cb 0.54 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 1pkl h GLU 462 CO 0.03 0.67 0.37 0.35 -1.18 0.00 0.00 179.01 179.24 1pkl h PHE 463 N 0.63 0.69 -0.14 0.92 3.57 -1.16 0.32 116.94 121.77 1pkl h PHE 463 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1pkl h PHE 463 Cb 0.22 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1pkl h PHE 463 CO 0.01 0.40 0.01 0.00 -2.23 0.00 0.00 178.31 176.50 1pkl h ALA 464 N 1.26 1.77 0.00 2.41 0.00 -1.03 -1.41 119.26 122.25 1pkl h ALA 464 Ca 0.24 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1pkl h ALA 464 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pkl h ALA 464 CO -0.09 0.18 -0.20 0.87 0.00 0.00 0.00 179.25 180.01 1pkl h LYS 465 N 0.19 0.14 -0.01 0.00 1.57 -0.06 0.21 116.57 118.61 1pkl h LYS 465 Ca 0.05 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1pkl h LYS 465 Cb 0.12 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1pkl h LYS 465 CO 0.00 0.90 0.01 0.66 -0.57 0.00 0.00 179.45 180.45 1pkl h SER 466 N -0.57 0.00 0.40 0.86 4.64 -0.09 0.91 113.55 119.70 1pkl h SER 466 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1pkl h SER 466 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1pkl h SER 466 CO 0.04 0.00 -0.37 0.29 -0.87 0.00 0.00 176.83 175.92 1pkl n LYS 467 N -4.29 0.36 -1.12 4.77 4.76 -0.56 -4.96 118.16 117.12 1pkl n LYS 467 Ca -0.03 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 1pkl n LYS 467 Cb 0.10 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1pkl n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pkl n GLY 468 N 1.43 0.46 0.14 0.72 0.00 0.31 -4.97 105.19 103.28 1pkl n GLY 468 Ca 0.09 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 0.60 -3.95 1.61 0.05 -0.80 -3.47 116.97 111.02 1pkl h TYR 469 Ca 0.00 -0.35 -0.46 0.00 0.05 0.00 0.00 58.73 57.97 1pkl h TYR 469 Cb 0.21 -0.06 -0.22 0.00 1.01 0.00 0.00 36.73 37.67 1pkl h TYR 469 CO 0.00 1.19 -0.79 0.14 -1.05 0.00 0.00 178.16 177.65 1pkl s VAL 470 N -3.03 1.28 0.42 -2.88 -7.23 -1.17 -4.79 120.40 102.99 1pkl s VAL 470 Ca -0.13 -1.34 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1pkl s VAL 470 Cb 0.03 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 1pkl s VAL 470 CO 0.83 -0.16 0.04 -1.10 -0.31 0.00 0.00 175.10 174.39 1pkl s GLN 471 N -1.73 1.94 0.26 4.82 -0.21 -1.26 -4.29 119.66 119.20 1pkl s GLN 471 Ca 0.01 -2.15 -0.31 0.00 0.02 0.00 0.00 55.36 52.93 1pkl s GLN 471 Cb -0.10 -1.29 -0.12 0.00 1.00 0.00 0.00 33.01 32.50 1pkl s GLN 471 CO 0.03 -0.22 1.59 2.41 -2.12 0.00 0.00 175.29 176.98 1pkl n THR 472 N -0.97 0.74 0.00 -0.19 -1.04 -1.26 -1.58 114.28 109.98 1pkl n THR 472 Ca -0.08 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1pkl n THR 472 Cb 0.67 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 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 2.61 2.24 3.87 3.41 0.00 0.25 -4.86 105.19 112.71 1pkl n GLY 473 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.44 6.47 0.01 1.61 1.01 -0.61 -4.67 116.67 119.04 1pkl s ASP 474 Ca 0.00 1.19 -0.11 0.00 0.71 0.00 0.00 52.55 54.34 1pkl s ASP 474 Cb 0.00 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 1pkl s ASP 474 CO 0.00 -0.49 0.36 -0.31 0.21 0.00 0.00 175.17 174.93 1pkl s TYR 475 N -2.53 3.65 -0.07 4.23 2.02 -1.26 0.17 117.35 123.56 1pkl s TYR 475 Ca 0.52 0.82 -0.03 0.00 -0.37 0.00 0.00 57.07 58.01 1pkl s TYR 475 Cb -0.10 -2.17 0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1pkl s TYR 475 CO 0.35 0.61 0.13 0.00 -1.57 0.00 0.00 175.55 175.08 1pkl s VAL 477 N 1.87 4.99 -0.09 0.00 1.01 -0.87 -0.41 120.40 126.89 1pkl s VAL 477 Ca -0.01 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.26 1pkl s VAL 477 Cb -0.12 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1pkl s VAL 477 CO -0.05 0.09 -0.03 -0.69 0.00 0.00 0.00 175.10 174.42 1pkl s VAL 478 N 1.96 4.03 0.07 2.92 1.01 0.12 -0.38 120.40 130.13 1pkl s VAL 478 Ca 0.31 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1pkl s VAL 478 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1pkl s VAL 478 CO 0.11 0.58 -0.07 -0.63 0.00 0.00 0.00 175.10 175.09 1pkl s ILE 479 N -0.64 0.58 -0.28 2.22 1.01 0.18 -1.18 121.20 123.09 1pkl s ILE 479 Ca 0.10 -1.48 -0.00 0.00 0.00 0.00 0.00 60.65 59.27 1pkl s ILE 479 Cb -0.12 -1.10 0.17 0.00 0.01 0.00 0.00 42.46 41.42 1pkl s ILE 479 CO 0.02 -0.62 0.51 -2.28 0.00 0.00 0.00 174.94 172.57 1pkl s HIS 480 N -2.46 -1.33 -0.32 3.97 2.46 -0.76 -1.71 115.29 115.13 1pkl s HIS 480 Ca -0.00 1.24 0.01 0.00 0.47 0.00 0.00 55.06 56.78 1pkl s HIS 480 Cb -0.03 0.30 0.08 0.00 -0.13 0.00 0.00 32.58 32.80 1pkl s HIS 480 CO -0.02 -0.86 0.03 0.00 -2.47 0.00 0.00 174.74 171.41 1pkl s ALA 481 N 2.73 2.85 -0.15 1.58 0.00 -1.26 -1.18 121.76 126.32 1pkl s ALA 481 Ca 0.16 -2.19 -0.07 0.00 0.00 0.00 0.00 51.96 49.87 1pkl s ALA 481 Cb -0.14 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.05 1pkl s ALA 481 CO -0.21 -1.50 0.13 -3.47 0.00 0.00 0.00 175.76 170.71 1pkl n ASP 482 N 4.44 -2.12 -1.03 0.00 2.03 -1.26 -4.81 116.55 113.79 1pkl n ASP 482 Ca -0.05 0.93 0.00 0.00 0.52 0.00 0.00 54.79 56.19 1pkl n ASP 482 Cb 0.42 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 36.90 1pkl n ASP 482 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pkl n ALA 489 N 0.99 -1.04 -2.43 -1.67 0.00 -1.26 -5.08 120.51 110.01 1pkl n ALA 489 Ca -0.22 0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 1pkl n ALA 489 Cb 0.34 -0.54 -0.11 0.00 0.00 0.00 0.00 19.45 19.14 1pkl n ALA 489 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1pkl s ASN 490 N -3.29 3.15 -0.27 0.00 3.84 -1.26 -5.02 114.94 112.09 1pkl s ASN 490 Ca 0.00 -0.96 -0.26 0.00 0.21 0.00 0.00 52.86 51.84 1pkl s ASN 490 Cb 0.00 -0.23 0.16 0.00 -0.55 0.00 0.00 41.25 40.63 1pkl s ASN 490 CO 0.00 -0.01 1.25 -1.58 -2.79 0.00 0.00 177.10 173.97 1pkl s GLN 491 N -3.23 0.27 -0.14 0.43 0.74 -0.33 -4.99 119.66 112.40 1pkl s GLN 491 Ca 0.24 0.23 -0.13 0.00 0.05 0.00 0.00 55.36 55.75 1pkl s GLN 491 Cb -0.05 0.13 0.04 0.00 1.10 0.00 0.00 33.01 34.23 1pkl s GLN 491 CO 0.11 -0.05 0.38 0.99 -0.55 0.00 0.00 175.29 176.16 1pkl s THR 492 N -0.22 -0.00 0.01 -0.34 2.01 -1.26 -1.83 115.64 114.00 1pkl s THR 492 Ca 0.05 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1pkl s THR 492 Cb -0.04 -0.53 -0.00 0.00 0.01 0.00 0.00 72.50 71.93 1pkl s THR 492 CO -0.09 0.00 0.10 -0.13 -0.69 0.00 0.00 174.62 173.81 1pkl s ARG 493 N 0.32 0.46 -0.33 4.92 0.52 -0.33 -4.98 118.95 119.53 1pkl s ARG 493 Ca -0.01 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1pkl s ARG 493 Cb -0.03 0.19 0.09 0.00 0.52 0.00 0.00 34.95 35.72 1pkl s ARG 493 CO -0.01 -0.11 0.04 0.42 0.02 0.00 0.00 175.30 175.66 1pkl s ILE 494 N -1.51 2.37 0.43 1.52 1.01 -1.26 0.12 121.20 123.89 1pkl s ILE 494 Ca -0.14 -2.18 -0.08 0.00 0.00 0.00 0.00 60.65 58.25 1pkl s ILE 494 Cb -0.08 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1pkl s ILE 494 CO 0.01 -0.50 0.77 -0.76 0.00 0.00 0.00 174.94 174.46 1pkl s LEU 495 N 0.96 3.75 -0.22 2.97 1.43 0.46 -4.87 118.68 123.16 1pkl s LEU 495 Ca 0.07 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 54.14 1pkl s LEU 495 Cb -0.20 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.05 1pkl s LEU 495 CO -0.07 -0.47 0.05 -0.22 0.23 0.00 0.00 176.35 175.87 1pkl s LEU 496 N -4.20 3.44 0.54 1.79 2.96 -1.26 -1.63 118.68 120.31 1pkl s LEU 496 Ca 0.49 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 54.06 1pkl s LEU 496 Cb -0.10 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.63 1pkl s LEU 496 CO 0.37 0.03 1.06 -0.69 -1.32 0.00 0.00 176.35 175.80 1pkl s VAL 497 N 1.24 3.66 0.00 1.68 1.01 0.46 -4.85 120.40 123.60 1pkl s VAL 497 Ca 0.04 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1pkl s VAL 497 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1pkl s VAL 497 CO 0.03 -0.31 0.42 -0.62 0.00 0.00 0.00 175.10 174.62