#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 0.30 0.51 4.33 5.75 -1.98 -2.66 115.11 121.35 1pkl h GLN 2 Ca 0.00 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 1pkl h GLN 2 Cb 0.00 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1pkl h GLN 2 CO 0.00 0.62 -0.27 1.25 -2.65 0.00 0.00 178.83 177.78 1pkl h LEU 3 N 0.26 -0.64 -1.98 -2.39 5.85 -2.01 0.30 115.31 114.70 1pkl h LEU 3 Ca 0.03 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1pkl h LEU 3 Cb 0.75 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1pkl h LEU 3 CO 0.06 -0.44 -0.05 0.00 -0.34 0.00 0.00 178.44 177.67 1pkl h ALA 4 N -0.23 1.83 -0.08 1.25 0.00 -2.01 -2.27 119.26 117.74 1pkl h ALA 4 Ca -0.07 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 1pkl h ALA 4 Cb 0.56 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1pkl h ALA 4 CO 0.10 0.06 -0.87 1.25 0.00 0.00 0.00 179.25 179.79 1pkl h HIS 5 N 0.00 1.03 -0.24 0.00 -0.00 -0.99 -3.23 115.15 111.72 1pkl h HIS 5 Ca -0.00 -0.50 0.01 0.00 -0.00 0.00 0.00 60.37 59.87 1pkl h HIS 5 Cb 0.09 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1pkl h HIS 5 CO 0.00 1.34 0.16 -0.91 -0.00 0.00 0.00 177.93 178.52 1pkl h ASN 6 N 0.43 0.26 -0.10 3.26 2.35 0.17 -2.41 115.58 119.54 1pkl h ASN 6 Ca -0.09 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1pkl h ASN 6 Cb 1.52 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 1pkl h ASN 6 CO 0.18 0.18 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.02 1pkl h LEU 7 N 0.30 0.32 0.00 1.61 3.38 -1.52 -2.96 115.31 116.44 1pkl h LEU 7 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1pkl h LEU 7 Cb 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1pkl h LEU 7 CO -0.02 0.42 -0.33 0.35 0.09 0.00 0.00 178.44 178.94 1pkl n THR 8 N -4.31 0.14 -1.85 0.22 -2.24 -0.91 -4.94 114.28 100.39 1pkl n THR 8 Ca 0.00 -0.09 -0.32 0.00 -2.27 0.00 0.00 64.05 61.37 1pkl n THR 8 Cb 0.23 -0.14 0.02 0.00 -2.10 0.00 0.00 70.33 68.35 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 -3.44 3.31 -0.15 3.22 1.43 -1.12 -5.08 118.68 116.85 1pkl s LEU 9 Ca 0.11 1.63 -0.07 0.00 -1.03 0.00 0.00 54.13 54.76 1pkl s LEU 9 Cb 0.16 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.94 1pkl s LEU 9 CO 0.65 -1.16 0.34 -0.55 0.23 0.00 0.00 176.35 175.86 1pkl s SER 10 N -3.51 -0.22 0.00 2.29 0.15 -1.26 -5.03 113.70 106.12 1pkl s SER 10 Ca 0.59 0.75 0.13 0.00 0.70 0.00 0.00 55.95 58.12 1pkl s SER 10 Cb -0.13 0.76 0.78 0.00 -1.71 0.00 0.00 66.02 65.72 1pkl s SER 10 CO 0.47 -0.20 1.29 2.30 1.20 0.00 0.00 173.24 178.30 1pkl n ILE 11 N 4.68 0.00 0.83 6.45 -5.35 -1.26 -2.65 119.36 122.06 1pkl n ILE 11 Ca -0.18 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.40 1pkl n ILE 11 Cb 0.52 -0.44 0.03 0.00 -1.74 0.00 0.00 39.64 38.02 1pkl n ILE 11 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1pkl n PHE 12 N -0.79 0.00 -3.14 4.28 3.72 -1.26 -4.95 117.46 115.32 1pkl n PHE 12 Ca 0.10 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.18 1pkl n PHE 12 Cb 0.04 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.93 6.66 0.21 4.37 1.01 -1.08 -5.03 116.67 120.87 1pkl s ASP 13 Ca 0.19 1.13 -0.30 0.00 0.71 0.00 0.00 52.55 54.28 1pkl s ASP 13 Cb 0.16 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.68 1pkl s ASP 13 CO 0.38 -0.23 1.28 -2.16 0.21 0.00 0.00 175.17 174.65 1pkl s PRO 14 N -3.21 4.41 0.40 8.23 0.04 -1.26 -5.03 135.00 138.59 1pkl s PRO 14 Ca 0.51 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.49 1pkl s PRO 14 Cb -0.10 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 1pkl s PRO 14 CO 0.23 -0.20 0.75 0.14 0.04 0.00 0.00 177.00 177.96 1pkl s VAL 15 N -0.08 4.82 0.63 -0.36 -7.23 -1.26 -5.07 120.40 111.85 1pkl s VAL 15 Ca 0.55 0.51 -0.13 0.00 -1.81 0.00 0.00 61.98 61.10 1pkl s VAL 15 Cb -0.36 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 32.81 1pkl s VAL 15 CO 0.39 -0.53 1.04 0.00 -0.31 0.00 0.00 175.10 175.69 1pkl s ALA 16 N -2.38 2.82 -0.37 1.32 0.00 -1.26 -4.95 121.76 116.94 1pkl s ALA 16 Ca 0.50 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1pkl s ALA 16 Cb -0.10 -3.17 0.61 0.00 0.00 0.00 0.00 23.12 20.46 1pkl s ALA 16 CO 0.33 -0.87 1.70 0.09 0.00 0.00 0.00 175.76 177.00 1pkl n ASN 17 N -2.51 4.12 -4.52 0.00 4.13 -1.26 -4.86 115.26 110.36 1pkl n ASN 17 Ca 0.08 -3.15 -0.36 0.00 1.68 0.00 0.00 54.58 52.82 1pkl n ASN 17 Cb 0.53 -0.74 -0.12 0.00 -1.54 0.00 0.00 39.78 37.92 1pkl n ASN 17 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1pkl s TYR 18 N -2.67 3.15 -0.21 3.10 5.04 -1.26 -5.08 117.35 119.42 1pkl s TYR 18 Ca 0.47 -0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.88 1pkl s TYR 18 Cb 0.39 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 40.46 1pkl s TYR 18 CO 0.11 -0.21 -0.11 0.50 -1.34 0.00 0.00 175.55 174.50 1pkl s ARG 19 N 1.40 3.21 -0.02 4.97 3.52 -1.26 -4.89 118.95 125.88 1pkl s ARG 19 Ca 0.06 -0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 54.83 1pkl s ARG 19 Cb -0.15 -2.84 -0.32 0.00 -1.56 0.00 0.00 34.95 30.09 1pkl s ARG 19 CO 0.05 -0.21 0.77 0.00 -0.81 0.00 0.00 175.30 175.10 1pkl h ALA 20 N 8.04 0.07 -2.63 6.12 0.00 -1.96 -3.44 119.26 125.47 1pkl h ALA 20 Ca -0.43 -1.06 -0.52 0.00 0.00 0.00 0.00 54.91 52.89 1pkl h ALA 20 Cb 1.15 0.37 0.13 0.00 0.00 0.00 0.00 17.79 19.44 1pkl h ALA 20 CO 0.62 0.94 0.40 0.00 0.00 0.00 0.00 179.25 181.21 1pkl s ALA 21 N -2.59 2.34 0.13 0.00 0.00 -1.26 -0.25 121.76 120.13 1pkl s ALA 21 Ca -0.14 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1pkl s ALA 21 Cb 0.05 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1pkl s ALA 21 CO 0.88 -1.48 -0.13 1.03 0.00 0.00 0.00 175.76 176.06 1pkl s ARG 22 N -3.84 1.99 -0.17 0.00 1.81 -0.59 -4.89 118.95 113.27 1pkl s ARG 22 Ca 0.72 -1.14 -0.03 0.00 -1.72 0.00 0.00 55.73 53.57 1pkl s ARG 22 Cb -0.26 -2.20 -0.02 0.00 -0.45 0.00 0.00 34.95 32.02 1pkl s ARG 22 CO 0.41 0.48 -0.07 0.42 -0.68 0.00 0.00 175.30 175.86 1pkl s ILE 23 N -1.32 3.42 -0.17 1.52 1.01 -1.26 -1.31 121.20 123.10 1pkl s ILE 23 Ca 0.21 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 1pkl s ILE 23 Cb -0.10 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1pkl s ILE 23 CO 0.13 0.48 0.01 -0.63 0.00 0.00 0.00 174.94 174.93 1pkl s ILE 24 N 0.79 4.34 -0.05 2.92 1.01 -0.66 -1.22 121.20 128.34 1pkl s ILE 24 Ca -0.03 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1pkl s ILE 24 Cb -0.15 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1pkl s ILE 24 CO 0.01 0.48 -0.24 0.00 0.00 0.00 0.00 174.94 175.19 1pkl s THR 26 N -0.18 4.96 0.22 0.00 2.01 -0.48 -0.26 115.64 121.90 1pkl s THR 26 Ca -0.02 1.37 -0.25 0.00 0.31 0.00 0.00 61.69 63.09 1pkl s THR 26 Cb -0.13 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.27 1pkl s THR 26 CO 0.03 0.07 0.82 -0.63 -0.69 0.00 0.00 174.62 174.22 1pkl s ILE 27 N 2.04 4.33 0.00 1.82 -1.09 -0.78 -2.20 121.20 125.32 1pkl s ILE 27 Ca 0.32 1.71 0.00 0.00 -2.23 0.00 0.00 60.65 60.45 1pkl s ILE 27 Cb -0.16 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 1pkl s ILE 27 CO 0.11 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1pkl n GLY 28 N 1.22 3.05 0.39 6.18 0.00 -1.25 -4.72 105.19 110.07 1pkl n GLY 28 Ca -0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1pkl n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pkl h PRO 29 N 0.00 -0.46 -0.90 1.61 0.11 -1.78 0.20 132.00 130.79 1pkl h PRO 29 Ca 0.00 0.03 0.26 0.00 0.11 0.00 0.00 66.00 66.40 1pkl h PRO 29 Cb 0.00 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 1pkl h PRO 29 CO 0.00 -0.31 0.64 0.77 -0.21 0.00 0.00 178.00 178.90 1pkl h SER 30 N -0.48 0.01 0.00 -2.05 0.02 -1.73 -3.07 113.55 106.26 1pkl h SER 30 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1pkl h SER 30 Cb 0.61 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1pkl h SER 30 CO -0.39 0.00 -0.05 0.35 -1.14 0.00 0.00 176.83 175.60 1pkl n THR 31 N -4.27 0.95 0.10 -2.27 -2.24 -0.55 -4.84 114.28 101.15 1pkl n THR 31 Ca 0.19 -1.04 -0.04 0.00 -2.27 0.00 0.00 64.05 60.88 1pkl n THR 31 Cb 0.96 0.40 0.02 0.00 -2.10 0.00 0.00 70.33 69.61 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 -7.08 -0.78 4.15 -0.54 -3.33 115.11 107.53 1pkl h GLN 32 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 1pkl h GLN 32 Cb 0.81 0.00 0.14 0.00 0.21 0.00 0.00 27.48 28.64 1pkl h GLN 32 CO 0.00 0.79 0.54 -1.54 -1.93 0.00 0.00 178.83 176.70 1pkl s SER 33 N -6.74 4.95 0.26 -0.69 1.04 -1.26 -4.79 113.70 106.48 1pkl s SER 33 Ca 0.00 2.64 0.21 0.00 0.48 0.00 0.00 55.95 59.28 1pkl s SER 33 Cb 0.11 -2.62 1.00 0.00 0.10 0.00 0.00 66.02 64.61 1pkl s SER 33 CO 0.79 -1.77 1.64 1.33 0.98 0.00 0.00 173.24 176.21 1pkl n VAL 34 N -1.51 0.99 0.06 5.02 0.24 -1.26 -1.38 118.33 120.49 1pkl n VAL 34 Ca 0.13 0.47 -0.21 0.00 -2.04 0.00 0.00 64.34 62.70 1pkl n VAL 34 Cb 0.47 -1.43 -0.15 0.00 -1.47 0.00 0.00 33.84 31.26 1pkl n VAL 34 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1pkl h GLU 35 N 0.00 0.33 -0.18 7.34 3.07 -1.94 -2.82 114.58 120.38 1pkl h GLU 35 Ca 0.00 -0.56 -0.10 0.00 -0.50 0.00 0.00 59.36 58.20 1pkl h GLU 35 Cb 0.18 0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1pkl h GLU 35 CO 0.00 1.27 -0.33 0.00 -1.40 0.00 0.00 179.01 178.55 1pkl h ALA 36 N 0.08 1.11 -0.29 3.43 0.00 -1.72 -2.87 119.26 119.01 1pkl h ALA 36 Ca -0.17 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1pkl h ALA 36 Cb 1.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1pkl h ALA 36 CO 0.16 0.57 -0.09 -0.07 0.00 0.00 0.00 179.25 179.82 1pkl h LEU 37 N 0.31 0.58 -1.51 0.00 3.38 -1.29 -1.92 115.31 114.86 1pkl h LEU 37 Ca 0.04 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1pkl h LEU 37 Cb 0.74 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1pkl h LEU 37 CO 0.06 0.83 0.04 0.11 0.09 0.00 0.00 178.44 179.57 1pkl h LYS 38 N 0.33 0.36 -0.35 1.13 1.57 -1.48 0.13 116.57 118.25 1pkl h LYS 38 Ca 0.07 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1pkl h LYS 38 Cb 0.59 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1pkl h LYS 38 CO 0.03 0.35 -0.29 0.78 -0.57 0.00 0.00 179.45 179.76 1pkl h GLY 39 N 0.60 0.81 1.03 3.86 0.00 -1.32 -0.07 103.07 107.97 1pkl h GLY 39 Ca 0.08 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 1pkl h GLY 39 CO -0.00 0.66 -0.10 -2.00 0.00 0.00 0.00 176.54 175.11 1pkl h LEU 40 N 0.63 0.89 -0.41 3.11 5.85 -0.52 -1.24 115.31 123.63 1pkl h LEU 40 Ca 0.08 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1pkl h LEU 40 Cb 0.81 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1pkl h LEU 40 CO 0.07 1.04 0.09 0.40 -0.34 0.00 0.00 178.44 179.70 1pkl h ILE 41 N 0.73 1.23 0.00 4.05 2.04 -0.82 -1.57 117.51 123.18 1pkl h ILE 41 Ca 0.12 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 1pkl h ILE 41 Cb 0.64 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1pkl h ILE 41 CO 0.04 0.28 -0.18 1.56 0.00 0.00 0.00 178.15 179.86 1pkl h GLN 42 N 0.53 0.00 0.00 2.37 4.20 -0.88 -2.74 115.11 118.59 1pkl h GLN 42 Ca 0.13 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 1pkl h GLN 42 Cb 0.33 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1pkl h GLN 42 CO 0.00 0.18 -0.61 0.77 -0.67 0.00 0.00 178.83 178.50 1pkl h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.80 -3.48 113.55 110.75 1pkl h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pkl h SER 43 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1pkl h SER 43 CO 0.02 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 1pkl n GLY 44 N 1.24 -0.92 3.72 -3.77 0.00 -0.78 -3.90 105.19 100.78 1pkl n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 4.40 -0.09 1.61 0.00 -0.66 -4.29 119.30 120.26 1pkl s MET 45 Ca 0.00 1.92 0.08 0.00 0.00 0.00 0.00 55.69 57.69 1pkl s MET 45 Cb 0.00 -3.28 -0.11 0.00 0.00 0.00 0.00 34.83 31.44 1pkl s MET 45 CO 0.00 -0.29 0.03 0.43 0.00 0.00 0.00 175.02 175.19 1pkl n SER 46 N 3.60 2.75 -4.05 1.11 7.64 -0.36 -4.64 113.62 119.67 1pkl n SER 46 Ca 0.09 -0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.76 1pkl n SER 46 Cb 0.44 0.72 -0.15 0.00 -1.01 0.00 0.00 64.21 64.21 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 -2.22 0.94 -0.32 0.44 1.01 -1.14 -2.33 120.40 116.77 1pkl s VAL 47 Ca -0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1pkl s VAL 47 Cb 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1pkl s VAL 47 CO 0.37 0.28 0.16 0.00 0.00 0.00 0.00 175.10 175.91 1pkl s ALA 48 N -0.06 3.27 -0.18 5.51 0.00 -0.42 -1.18 121.76 128.68 1pkl s ALA 48 Ca 0.01 -1.45 -0.13 0.00 0.00 0.00 0.00 51.96 50.38 1pkl s ALA 48 Cb -0.07 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 1pkl s ALA 48 CO 0.00 -1.00 0.25 0.50 0.00 0.00 0.00 175.76 175.52 1pkl s ARG 49 N 1.60 4.21 -0.32 0.00 3.52 0.64 -1.41 118.95 127.19 1pkl s ARG 49 Ca 0.04 -0.01 -0.10 0.00 -0.13 0.00 0.00 55.73 55.53 1pkl s ARG 49 Cb -0.17 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.75 1pkl s ARG 49 CO 0.06 0.19 0.17 -1.64 -0.81 0.00 0.00 175.30 173.28 1pkl s MET 50 N 0.64 3.34 -0.68 5.12 -1.94 0.42 -1.86 119.30 124.34 1pkl s MET 50 Ca 0.14 -0.73 -0.25 0.00 -1.71 0.00 0.00 55.69 53.14 1pkl s MET 50 Cb -0.13 -3.63 0.05 0.00 2.01 0.00 0.00 34.83 33.13 1pkl s MET 50 CO 0.03 -0.44 1.11 1.21 -0.01 0.00 0.00 175.02 176.92 1pkl s ASN 51 N 1.63 6.20 0.00 3.03 3.84 -1.26 -0.33 114.94 128.06 1pkl s ASN 51 Ca 0.05 -0.63 0.08 0.00 0.21 0.00 0.00 52.86 52.57 1pkl s ASN 51 Cb -0.17 -2.49 0.49 0.00 -0.55 0.00 0.00 41.25 38.53 1pkl s ASN 51 CO 0.07 -1.59 1.21 0.49 -2.79 0.00 0.00 177.10 174.50 1pkl n PHE 52 N 8.42 0.00 1.55 0.43 3.01 -0.27 -3.30 117.46 127.29 1pkl n PHE 52 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 1pkl n PHE 52 Cb 0.47 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 -0.65 0.13 -3.72 4.37 3.41 -1.26 -4.52 113.62 111.38 1pkl n SER 53 Ca 0.06 -0.44 -0.14 0.00 -0.26 0.00 0.00 58.87 58.09 1pkl n SER 53 Cb 0.03 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.42 -0.38 0.00 7.33 3.76 -1.21 -5.04 115.29 117.33 1pkl s HIS 54 Ca 0.33 0.81 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 1pkl s HIS 54 Cb 0.21 0.16 0.00 0.00 1.11 0.00 0.00 32.58 34.06 1pkl s HIS 54 CO 0.44 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.42 1pkl n GLY 55 N 2.05 2.00 4.00 -2.22 0.00 -1.26 -4.85 105.19 104.90 1pkl n GLY 55 Ca -0.17 -1.81 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 1pkl n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pkl s SER 56 N -0.16 5.17 0.47 1.61 1.04 -1.26 -4.95 113.70 115.63 1pkl s SER 56 Ca 0.00 -0.32 0.15 0.00 0.48 0.00 0.00 55.95 56.26 1pkl s SER 56 Cb 0.00 -0.47 1.10 0.00 0.10 0.00 0.00 66.02 66.75 1pkl s SER 56 CO 0.00 -1.21 2.06 0.45 0.98 0.00 0.00 173.24 175.52 1pkl h HIS 57 N 0.13 0.03 -0.28 5.02 -0.00 -1.99 -1.67 115.15 116.39 1pkl h HIS 57 Ca -0.38 -0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.81 1pkl h HIS 57 Cb 1.29 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 1pkl h HIS 57 CO 0.28 0.12 -0.52 1.49 -0.00 0.00 0.00 177.93 179.30 1pkl h GLU 58 N 0.03 0.85 -0.37 2.45 4.81 -1.98 -1.30 114.58 119.07 1pkl h GLU 58 Ca 0.01 -0.54 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1pkl h GLU 58 Cb 0.17 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1pkl h GLU 58 CO 0.01 1.17 0.22 -0.92 -0.73 0.00 0.00 179.01 178.76 1pkl h TYR 59 N 0.62 0.40 0.00 0.92 3.20 -1.71 -2.07 116.97 118.34 1pkl h TYR 59 Ca 0.01 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1pkl h TYR 59 Cb 1.13 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1pkl h TYR 59 CO 0.08 0.24 -0.42 0.45 -1.64 0.00 0.00 178.16 176.86 1pkl h HIS 60 N 0.44 0.00 -0.46 -3.82 3.86 -1.34 -2.83 115.15 111.00 1pkl h HIS 60 Ca 0.14 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 1pkl h HIS 60 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1pkl h HIS 60 CO -0.07 0.42 -0.07 0.37 0.86 0.00 0.00 177.93 179.44 1pkl h GLN 61 N 0.00 0.81 -0.45 2.45 5.75 -0.77 -0.53 115.11 122.36 1pkl h GLN 61 Ca -0.00 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.20 1pkl h GLN 61 Cb 1.02 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.48 1pkl h GLN 61 CO 0.05 0.86 0.12 1.15 -2.65 0.00 0.00 178.83 178.36 1pkl h THR 62 N 0.74 1.23 -0.47 2.39 2.02 -1.15 -0.96 112.91 116.71 1pkl h THR 62 Ca 0.13 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1pkl h THR 62 Cb 0.55 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1pkl h THR 62 CO 0.03 0.29 0.29 0.74 0.37 0.00 0.00 175.52 177.24 1pkl h THR 63 N 0.60 1.14 -0.47 3.16 2.02 -1.29 0.14 112.91 118.21 1pkl h THR 63 Ca 0.14 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1pkl h THR 63 Cb 0.31 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1pkl h THR 63 CO 0.00 0.14 0.31 0.40 0.37 0.00 0.00 175.52 176.74 1pkl h ILE 64 N 0.63 1.12 -0.40 3.11 2.04 -0.86 -0.14 117.51 123.01 1pkl h ILE 64 Ca 0.17 -0.22 -0.14 0.00 1.00 0.00 0.00 64.86 65.67 1pkl h ILE 64 Cb -0.03 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1pkl h ILE 64 CO -0.03 0.12 -0.31 0.78 0.00 0.00 0.00 178.15 178.70 1pkl h ASN 65 N 0.64 0.97 0.20 1.72 2.35 -0.82 -2.64 115.58 117.99 1pkl h ASN 65 Ca 0.17 -0.44 -0.13 0.00 -0.55 0.00 0.00 56.30 55.34 1pkl h ASN 65 Cb -0.07 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 1pkl h ASN 65 CO -0.04 1.21 -0.50 0.78 -1.65 0.00 0.00 177.43 177.22 1pkl h ASN 66 N 0.74 0.38 -0.22 5.81 2.35 -0.53 -2.11 115.58 122.00 1pkl h ASN 66 Ca 0.07 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 1pkl h ASN 66 Cb 0.90 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1pkl h ASN 66 CO 0.08 0.82 -0.12 0.58 -1.65 0.00 0.00 177.43 177.15 1pkl h VAL 67 N 0.28 1.31 -0.11 2.81 2.07 -1.03 -0.56 116.25 121.01 1pkl h VAL 67 Ca 0.01 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 1pkl h VAL 67 Cb 0.98 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1pkl h VAL 67 CO 0.08 0.37 -0.21 0.03 0.02 0.00 0.00 177.57 177.86 1pkl h ARG 68 N 0.17 0.18 0.06 1.57 3.08 -1.38 -0.58 114.38 117.47 1pkl h ARG 68 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1pkl h ARG 68 Cb 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1pkl h ARG 68 CO 0.03 0.39 -0.03 0.37 -1.07 0.00 0.00 179.97 179.67 1pkl h GLN 69 N 0.17 -0.08 -0.64 0.04 4.15 -1.32 -1.57 115.11 115.86 1pkl h GLN 69 Ca 0.03 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.59 1pkl h GLN 69 Cb 0.47 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.08 1pkl h GLN 69 CO 0.03 0.50 0.07 0.00 -1.93 0.00 0.00 178.83 177.51 1pkl h ALA 70 N -0.20 0.71 -0.37 3.38 0.00 -0.99 0.17 119.26 121.95 1pkl h ALA 70 Ca -0.01 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pkl h ALA 70 Cb 0.62 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1pkl h ALA 70 CO 0.01 -0.36 0.14 0.00 0.00 0.00 0.00 179.25 179.04 1pkl h ALA 71 N 1.55 0.49 -0.41 0.00 0.00 -1.18 -1.99 119.26 117.72 1pkl h ALA 71 Ca 0.34 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1pkl h ALA 71 Cb 0.55 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1pkl h ALA 71 CO -0.49 0.11 0.19 0.00 0.00 0.00 0.00 179.25 179.05 1pkl h ALA 72 N 0.98 0.51 -0.66 0.00 0.00 0.02 0.23 119.26 120.34 1pkl h ALA 72 Ca 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1pkl h ALA 72 Cb 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1pkl h ALA 72 CO -0.01 -0.18 0.33 0.93 0.00 0.00 0.00 179.25 180.31 1pkl h GLU 73 N 0.38 0.95 -0.03 0.00 5.08 -0.59 -1.92 114.58 118.45 1pkl h GLU 73 Ca 0.18 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1pkl h GLU 73 Cb 0.12 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1pkl h GLU 73 CO -0.15 0.75 0.00 1.28 -1.00 0.00 0.00 179.01 179.89 1pkl n LEU 74 N -4.48 0.42 -1.96 1.33 4.77 -0.76 -4.92 117.00 111.40 1pkl n LEU 74 Ca 0.05 -0.16 -0.19 0.00 -0.03 0.00 0.00 56.01 55.68 1pkl n LEU 74 Cb 0.12 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1pkl n LEU 74 CO 0.38 0.08 -0.23 0.61 -1.33 0.00 0.00 177.39 176.91 1pkl n GLY 75 N 0.93 0.23 3.73 -0.72 0.00 -0.02 -5.00 105.19 104.34 1pkl n GLY 75 Ca 0.17 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.88 1.48 -0.21 1.61 -7.23 -0.66 -5.02 120.40 107.50 1pkl s VAL 76 Ca 0.00 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1pkl s VAL 76 Cb 0.00 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.52 1pkl s VAL 76 CO 0.00 0.00 -0.13 0.20 -0.31 0.00 0.00 175.10 174.86 1pkl s ASN 77 N -3.85 3.75 -0.11 4.85 0.01 -1.26 -4.38 114.94 113.95 1pkl s ASN 77 Ca 0.17 -0.72 0.02 0.00 -0.71 0.00 0.00 52.86 51.62 1pkl s ASN 77 Cb 0.04 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 40.11 1pkl s ASN 77 CO 0.09 -0.05 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.83 1pkl s ILE 78 N 1.32 2.72 0.47 0.60 -1.09 -1.26 -4.78 121.20 119.17 1pkl s ILE 78 Ca 0.03 -0.79 -0.21 0.00 -2.23 0.00 0.00 60.65 57.45 1pkl s ILE 78 Cb -0.15 -2.10 -0.09 0.00 -1.58 0.00 0.00 42.46 38.55 1pkl s ILE 78 CO -0.08 0.54 1.03 0.00 -1.23 0.00 0.00 174.94 175.20 1pkl s ALA 79 N 0.19 2.90 -0.15 9.38 0.00 -0.98 -4.92 121.76 128.18 1pkl s ALA 79 Ca -0.10 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1pkl s ALA 79 Cb -0.16 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1pkl s ALA 79 CO 0.06 -0.27 -0.20 0.42 0.00 0.00 0.00 175.76 175.76 1pkl s ILE 80 N -1.96 2.18 -0.06 0.00 1.01 -1.26 -1.31 121.20 119.80 1pkl s ILE 80 Ca 0.66 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1pkl s ILE 80 Cb -0.16 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1pkl s ILE 80 CO 0.20 0.54 -0.18 0.00 0.00 0.00 0.00 174.94 175.50 1pkl s ALA 81 N 0.94 2.46 -0.35 9.38 0.00 -0.50 -1.19 121.76 132.51 1pkl s ALA 81 Ca -0.04 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1pkl s ALA 81 Cb -0.15 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.13 1pkl s ALA 81 CO -0.04 0.46 0.13 -1.17 0.00 0.00 0.00 175.76 175.14 1pkl s LEU 82 N -0.37 4.43 -0.35 0.00 0.20 -0.80 -0.44 118.68 121.35 1pkl s LEU 82 Ca 0.03 -1.10 -0.20 0.00 0.69 0.00 0.00 54.13 53.55 1pkl s LEU 82 Cb -0.12 -1.91 0.00 0.00 -0.43 0.00 0.00 46.19 43.73 1pkl s LEU 82 CO 0.02 -0.34 0.61 -0.62 -0.29 0.00 0.00 176.35 175.73 1pkl s ASP 83 N 1.44 6.41 0.55 3.68 -1.08 0.55 -1.07 116.67 127.15 1pkl s ASP 83 Ca -0.01 0.14 -0.20 0.00 -0.52 0.00 0.00 52.55 51.96 1pkl s ASP 83 Cb -0.19 -2.31 -0.05 0.00 -1.46 0.00 0.00 42.92 38.90 1pkl s ASP 83 CO 0.04 -0.56 1.18 -0.89 0.52 0.00 0.00 175.17 175.46 1pkl s THR 84 N 2.63 2.88 0.11 1.71 2.01 -0.66 -1.12 115.64 123.20 1pkl s THR 84 Ca 0.23 0.57 -0.08 0.00 0.31 0.00 0.00 61.69 62.73 1pkl s THR 84 Cb -0.15 -3.25 -0.21 0.00 0.01 0.00 0.00 72.50 68.91 1pkl s THR 84 CO 0.14 -0.09 1.25 0.50 -0.69 0.00 0.00 174.62 175.73 1pkl h LYS 85 N 1.24 0.50 -1.24 4.92 3.64 -1.91 -3.39 116.57 120.33 1pkl h LYS 85 Ca -0.50 -0.56 0.14 0.00 -1.27 0.00 0.00 60.65 58.46 1pkl h LYS 85 Cb 1.28 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 33.21 1pkl h LYS 85 CO 0.57 1.19 -0.33 0.41 -2.27 0.00 0.00 179.45 179.02 1pkl n GLY 86 N 1.05 -2.19 3.75 5.01 0.00 -1.26 -4.85 105.19 106.69 1pkl n GLY 86 Ca -0.08 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 1pkl n GLY 86 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pkl s PRO 87 N -2.45 2.94 -0.02 1.61 0.02 -1.26 -4.88 135.00 130.95 1pkl s PRO 87 Ca 0.00 1.92 -0.05 0.00 0.02 0.00 0.00 61.00 62.89 1pkl s PRO 87 Cb 0.00 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.56 1pkl s PRO 87 CO 0.00 -1.26 0.12 -2.00 -0.33 0.00 0.00 177.00 173.53 1pkl s GLU 88 N -3.27 0.29 -0.18 5.54 2.12 -1.26 -5.05 118.70 116.90 1pkl s GLU 88 Ca 0.77 -0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.96 1pkl s GLU 88 Cb -0.33 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 1pkl s GLU 88 CO 0.36 -0.06 -0.04 0.42 -0.54 0.00 0.00 175.26 175.41 1pkl s ILE 89 N -0.61 3.74 -0.03 -3.70 -1.09 -1.26 -5.04 121.20 113.21 1pkl s ILE 89 Ca -0.07 -0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 57.92 1pkl s ILE 89 Cb -0.04 -2.66 0.01 0.00 -1.58 0.00 0.00 42.46 38.19 1pkl s ILE 89 CO 0.01 0.46 0.09 0.00 -1.23 0.00 0.00 174.94 174.27 1pkl s ARG 90 N 0.74 0.13 0.99 2.79 1.70 -1.26 0.10 118.95 124.15 1pkl s ARG 90 Ca -0.02 0.08 -0.14 0.00 -0.47 0.00 0.00 55.73 55.18 1pkl s ARG 90 Cb -0.14 0.06 0.08 0.00 -0.57 0.00 0.00 34.95 34.37 1pkl s ARG 90 CO 0.02 -0.02 0.44 0.25 -1.08 0.00 0.00 175.30 174.91 1pkl n THR 91 N 2.91 0.00 -0.44 4.99 -2.24 -0.97 -3.40 114.28 115.12 1pkl n THR 91 Ca -0.13 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1pkl n THR 91 Cb 0.59 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1pkl n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkl n GLY 92 N 1.44 -0.62 3.95 3.38 0.00 -0.71 -3.74 105.19 108.88 1pkl n GLY 92 Ca 0.06 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 1pkl n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pkl s GLN 93 N -0.61 2.78 0.19 1.61 -0.21 -0.61 -3.05 119.66 119.76 1pkl s GLN 93 Ca 0.00 -0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.04 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 -0.61 -0.18 -0.06 -2.12 0.00 0.00 175.29 172.32 1pkl s PHE 94 N -2.80 1.90 -0.35 0.91 0.08 -1.26 -2.60 117.98 113.85 1pkl s PHE 94 Ca 0.54 -0.47 -0.29 0.00 0.12 0.00 0.00 56.93 56.83 1pkl s PHE 94 Cb -0.10 -0.91 0.01 0.00 -0.57 0.00 0.00 43.02 41.45 1pkl s PHE 94 CO 0.40 0.40 1.26 0.08 -0.10 0.00 0.00 175.22 177.27 1pkl s VAL 95 N -2.30 4.16 0.00 -0.44 1.01 0.46 -1.80 120.40 121.49 1pkl s VAL 95 Ca 0.20 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1pkl s VAL 95 Cb -0.05 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1pkl s VAL 95 CO 0.08 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1pkl n GLY 96 N 4.49 0.76 2.33 4.51 0.00 -1.26 -4.15 105.19 111.87 1pkl n GLY 96 Ca 0.14 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.41 -0.08 3.39 -0.02 0.00 -0.74 -4.92 105.19 100.40 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 -2.05 -0.42 -0.29 1.61 2.15 -1.26 -3.98 116.67 112.42 1pkl s ASP 98 Ca 0.00 -0.15 0.05 0.00 0.43 0.00 0.00 52.55 52.88 1pkl s ASP 98 Cb 0.00 0.55 0.20 0.00 -0.30 0.00 0.00 42.92 43.37 1pkl s ASP 98 CO 0.00 -0.93 0.59 0.00 -0.17 0.00 0.00 175.17 174.66 1pkl s ALA 99 N -3.78 -2.35 -0.68 3.66 0.00 -0.85 -4.43 121.76 113.33 1pkl s ALA 99 Ca 0.02 1.13 -0.27 0.00 0.00 0.00 0.00 51.96 52.84 1pkl s ALA 99 Cb 0.00 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1pkl s ALA 99 CO -0.12 -1.77 1.41 0.08 0.00 0.00 0.00 175.76 175.36 1pkl s VAL 100 N 2.83 3.68 0.21 0.00 1.01 -1.26 -2.63 120.40 124.23 1pkl s VAL 100 Ca 0.11 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 1pkl s VAL 100 Cb -0.11 -4.65 -0.08 0.00 0.00 0.00 0.00 36.38 31.54 1pkl s VAL 100 CO -0.25 -1.54 0.82 -0.04 0.00 0.00 0.00 175.10 174.09 1pkl s MET 101 N 5.90 4.58 0.06 2.72 -1.94 -0.80 -4.94 119.30 124.89 1pkl s MET 101 Ca 0.44 1.20 0.03 0.00 -1.71 0.00 0.00 55.69 55.65 1pkl s MET 101 Cb -0.09 -3.15 -0.03 0.00 2.01 0.00 0.00 34.83 33.57 1pkl s MET 101 CO 0.18 0.50 -0.09 -1.21 -0.01 0.00 0.00 175.02 174.39 1pkl s GLU 102 N -1.40 0.66 0.04 2.03 2.02 -1.26 -1.77 118.70 119.02 1pkl s GLU 102 Ca 0.40 -0.91 -0.31 0.00 0.02 0.00 0.00 54.97 54.17 1pkl s GLU 102 Cb -0.22 -0.42 -0.10 0.00 0.10 0.00 0.00 34.13 33.49 1pkl s GLU 102 CO 0.26 0.07 1.92 -2.13 0.02 0.00 0.00 175.26 175.41 1pkl n ARG 103 N 1.15 2.73 0.00 1.61 0.63 -1.26 -2.03 116.66 119.49 1pkl n ARG 103 Ca -0.20 1.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1pkl n ARG 103 Cb 0.56 -2.92 0.00 0.00 0.45 0.00 0.00 32.46 30.54 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 4.44 2.81 3.60 5.14 0.00 -0.61 -5.01 105.19 115.56 1pkl n GLY 104 Ca 0.20 -0.57 -0.52 0.00 0.00 0.00 0.00 46.02 45.13 1pkl n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl n ALA 105 N 0.00 -0.84 -3.11 4.61 0.00 -0.86 -4.56 120.51 115.76 1pkl n ALA 105 Ca 0.00 0.51 -0.45 0.00 0.00 0.00 0.00 53.44 53.50 1pkl n ALA 105 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 1pkl n ALA 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pkl s THR 106 N 0.70 4.87 0.38 0.00 2.01 -1.26 -1.27 115.64 121.07 1pkl s THR 106 Ca 0.85 -1.17 0.07 0.00 0.31 0.00 0.00 61.69 61.76 1pkl s THR 106 Cb -0.95 -4.52 -0.01 0.00 0.01 0.00 0.00 72.50 67.02 1pkl s THR 106 CO 0.48 -1.17 0.40 0.00 -0.69 0.00 0.00 174.62 173.64 1pkl s TYR 108 N -2.35 1.06 -0.10 0.00 1.51 0.91 -0.75 117.35 117.64 1pkl s TYR 108 Ca 0.47 -0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 55.97 1pkl s TYR 108 Cb -0.06 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 1pkl s TYR 108 CO 0.29 -0.38 0.30 0.14 -1.11 0.00 0.00 175.55 174.79 1pkl s VAL 109 N 1.62 5.26 -0.07 0.71 -7.23 -0.89 -2.06 120.40 117.74 1pkl s VAL 109 Ca 0.01 0.58 0.04 0.00 -1.81 0.00 0.00 61.98 60.80 1pkl s VAL 109 Cb -0.13 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1pkl s VAL 109 CO -0.05 0.50 -0.19 0.28 -0.31 0.00 0.00 175.10 175.33 1pkl s THR 110 N -0.35 1.61 -1.18 5.32 -1.32 0.19 -1.65 115.64 118.26 1pkl s THR 110 Ca 0.19 -0.78 0.18 0.00 -1.21 0.00 0.00 61.69 60.06 1pkl s THR 110 Cb -0.14 -1.40 0.22 0.00 -1.51 0.00 0.00 72.50 69.67 1pkl s THR 110 CO 0.07 0.46 1.56 0.41 -2.21 0.00 0.00 174.62 174.91 1pkl n THR 111 N 3.41 0.64 -1.94 5.08 -1.04 0.10 -3.44 114.28 117.10 1pkl n THR 111 Ca -0.20 0.16 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1pkl n THR 111 Cb 0.52 -0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 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 -2.82 6.29 0.64 8.00 2.15 -1.26 -4.90 116.67 124.77 1pkl s ASP 112 Ca 0.12 1.94 0.35 0.00 0.43 0.00 0.00 52.55 55.40 1pkl s ASP 112 Cb 0.12 -2.53 1.98 0.00 -0.30 0.00 0.00 42.92 42.19 1pkl s ASP 112 CO 0.30 -1.28 2.18 -0.65 -0.17 0.00 0.00 175.17 175.55 1pkl h PRO 113 N 11.19 0.00 0.00 4.34 0.11 -1.98 -2.70 132.00 142.96 1pkl h PRO 113 Ca -0.38 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.69 1pkl h PRO 113 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1pkl h PRO 113 CO 0.98 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 178.59 1pkl h ALA 114 N 1.77 1.32 -0.39 -0.75 0.00 -1.96 -2.80 119.26 116.46 1pkl h ALA 114 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pkl h ALA 114 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pkl h ALA 114 CO -0.00 0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.66 1pkl n PHE 115 N -3.77 1.12 0.74 0.00 3.01 -1.02 -4.32 117.46 113.22 1pkl n PHE 115 Ca -0.02 -0.41 0.07 0.00 1.01 0.00 0.00 57.45 58.10 1pkl n PHE 115 Cb 0.28 -0.26 0.37 0.00 -0.01 0.00 0.00 39.48 39.86 1pkl n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pkl n ALA 116 N 0.53 1.88 -0.21 4.37 0.00 -1.06 -3.16 120.51 122.85 1pkl n ALA 116 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1pkl n ALA 116 Cb 0.72 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1pkl n ALA 116 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pkl n ASP 117 N -1.17 0.00 -1.29 0.00 5.68 -1.26 -1.57 116.55 116.93 1pkl n ASP 117 Ca 0.08 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.34 1pkl n ASP 117 Cb 0.08 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.19 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 0.00 2.12 -2.30 0.11 5.02 -1.19 -4.17 118.16 117.75 1pkl n LYS 118 Ca 0.00 -1.30 -0.41 0.00 -2.02 0.00 0.00 58.31 54.58 1pkl n LYS 118 Cb 0.00 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.31 1pkl n LYS 118 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pkl s GLY 119 N -0.16 2.70 0.20 0.72 0.00 -1.07 -4.85 107.32 104.86 1pkl s GLY 119 Ca 0.23 1.04 -0.02 0.00 0.00 0.00 0.00 44.72 45.97 1pkl s GLY 119 CO 0.06 1.89 0.17 -0.51 0.00 0.00 0.00 173.10 174.70 1pkl s THR 120 N -0.30 0.00 0.21 0.90 -4.23 -0.60 -0.40 115.64 111.23 1pkl s THR 120 Ca 0.52 -1.93 0.34 0.00 -1.18 0.00 0.00 61.69 59.45 1pkl s THR 120 Cb -0.35 -2.45 0.35 0.00 1.34 0.00 0.00 72.50 71.40 1pkl s THR 120 CO 0.40 -0.02 2.04 0.07 -0.54 0.00 0.00 174.62 176.57 1pkl h LYS 121 N 2.59 0.00 0.00 3.99 2.10 -1.91 -2.64 116.57 120.70 1pkl h LYS 121 Ca -0.35 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.02 1pkl h LYS 121 Cb 1.25 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.53 1pkl h LYS 121 CO 0.51 0.00 -1.85 -0.25 -2.00 0.00 0.00 179.45 175.86 1pkl n ASP 122 N -2.76 0.61 -3.66 7.07 8.00 -1.26 -4.70 116.55 119.84 1pkl n ASP 122 Ca -0.01 0.28 -0.07 0.00 0.71 0.00 0.00 54.79 55.70 1pkl n ASP 122 Cb 0.11 0.33 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.65 0.46 0.21 -1.24 2.20 -0.99 -0.06 119.74 117.66 1pkl s LYS 123 Ca -0.06 1.10 -0.03 0.00 -0.36 0.00 0.00 55.97 56.62 1pkl s LYS 123 Cb 0.08 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1pkl s LYS 123 CO 0.83 -0.20 0.20 -0.59 -0.36 0.00 0.00 175.35 175.22 1pkl s PHE 124 N 2.21 1.00 0.33 4.03 -0.71 -0.87 -1.55 117.98 122.42 1pkl s PHE 124 Ca -0.06 -1.25 -0.02 0.00 -1.04 0.00 0.00 56.93 54.56 1pkl s PHE 124 Cb -0.10 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.26 1pkl s PHE 124 CO -0.15 -0.71 0.56 -0.47 -1.34 0.00 0.00 175.22 173.11 1pkl s TYR 125 N -4.13 3.50 -0.20 3.49 5.04 -1.25 0.52 117.35 124.32 1pkl s TYR 125 Ca 0.36 0.48 -0.04 0.00 -2.44 0.00 0.00 57.07 55.43 1pkl s TYR 125 Cb 0.06 -1.99 0.10 0.00 0.35 0.00 0.00 41.96 40.47 1pkl s TYR 125 CO 0.11 0.11 0.30 0.42 -1.34 0.00 0.00 175.55 175.16 1pkl s ILE 126 N -2.26 -0.47 -1.98 3.14 1.01 -1.22 -1.74 121.20 117.68 1pkl s ILE 126 Ca 0.42 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1pkl s ILE 126 Cb -0.10 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.71 1pkl s ILE 126 CO 0.35 -0.08 0.39 -0.90 0.00 0.00 0.00 174.94 174.70 1pkl n ASP 127 N 5.35 0.00 -4.42 3.58 5.68 -1.22 -4.47 116.55 121.05 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 -1.99 2.89 0.02 2.11 5.04 -1.26 -4.92 117.35 119.24 1pkl s TYR 128 Ca 0.00 -0.88 0.27 0.00 -2.44 0.00 0.00 57.07 54.02 1pkl s TYR 128 Cb 0.00 -4.19 1.46 0.00 0.35 0.00 0.00 41.96 39.58 1pkl s TYR 128 CO 0.00 -1.49 1.82 1.96 -1.34 0.00 0.00 175.55 176.50 1pkl h GLN 129 N 9.26 0.00 -0.72 4.97 4.20 -1.92 -0.91 115.11 129.99 1pkl h GLN 129 Ca -0.20 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.33 1pkl h GLN 129 Cb 1.07 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.74 1pkl h GLN 129 CO 1.13 0.00 0.22 0.09 -0.67 0.00 0.00 178.83 179.61 1pkl n ASN 130 N -2.45 5.09 0.18 1.46 3.02 -1.26 -4.66 115.26 116.63 1pkl n ASN 130 Ca -0.02 -3.16 -0.08 0.00 -0.03 0.00 0.00 54.58 51.28 1pkl n ASN 130 Cb 0.06 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.44 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 2.99 -0.56 -1.28 3.41 5.85 -1.53 -1.60 115.31 122.59 1pkl h LEU 131 Ca 0.22 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.07 1pkl h LEU 131 Cb 2.29 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 43.43 1pkl h LEU 131 CO 0.71 -0.32 0.55 -1.28 -0.34 0.00 0.00 178.44 177.75 1pkl h SER 132 N -0.51 0.72 -0.08 1.25 0.87 -1.83 0.25 113.55 114.23 1pkl h SER 132 Ca -0.04 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1pkl h SER 132 Cb 0.42 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1pkl h SER 132 CO 0.03 0.42 -0.25 0.07 -0.53 0.00 0.00 176.83 176.57 1pkl h LYS 133 N 0.79 0.31 -0.17 2.24 2.10 -1.89 -3.35 116.57 116.60 1pkl h LYS 133 Ca 0.39 -0.23 -0.14 0.00 -2.00 0.00 0.00 60.65 58.68 1pkl h LYS 133 Cb 0.46 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1pkl h LYS 133 CO -0.16 0.85 -0.43 0.28 -2.00 0.00 0.00 179.45 177.99 1pkl h VAL 134 N -0.17 1.34 -3.36 0.07 2.07 -1.00 -3.44 116.25 111.76 1pkl h VAL 134 Ca -0.01 -1.68 -0.55 0.00 0.82 0.00 0.00 66.70 65.28 1pkl h VAL 134 Cb 0.88 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1pkl h VAL 134 CO 0.05 0.52 0.44 -0.69 0.02 0.00 0.00 177.57 177.91 1pkl s VAL 135 N -3.94 4.82 0.53 2.57 1.01 0.05 -4.96 120.40 120.48 1pkl s VAL 135 Ca -0.12 2.04 0.04 0.00 0.00 0.00 0.00 61.98 63.94 1pkl s VAL 135 Cb 0.07 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1pkl s VAL 135 CO 0.83 0.11 0.31 -0.13 0.00 0.00 0.00 175.10 176.22 1pkl s ARG 136 N 1.32 2.24 -0.02 2.72 0.52 -1.26 -4.80 118.95 119.68 1pkl s ARG 136 Ca 0.51 -2.10 -0.30 0.00 -0.52 0.00 0.00 55.73 53.32 1pkl s ARG 136 Cb -0.20 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 1pkl s ARG 136 CO 0.25 -0.55 1.10 -1.25 0.02 0.00 0.00 175.30 174.87 1pkl s PRO 137 N -4.18 4.45 0.00 3.54 0.04 -1.26 -3.38 135.00 134.20 1pkl s PRO 137 Ca 0.28 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1pkl s PRO 137 Cb -0.01 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1pkl s PRO 137 CO 0.17 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1pkl n GLY 138 N 3.13 2.32 3.68 0.56 0.00 0.29 -4.88 105.19 110.30 1pkl n GLY 138 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1pkl n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pkl s ASN 139 N -0.77 2.85 0.13 1.61 0.02 -1.22 -4.74 114.94 112.83 1pkl s ASN 139 Ca 0.00 1.34 0.10 0.00 -1.02 0.00 0.00 52.86 53.28 1pkl s ASN 139 Cb 0.00 -2.02 -0.04 0.00 0.02 0.00 0.00 41.25 39.21 1pkl s ASN 139 CO 0.00 -3.01 -0.22 -0.31 0.02 0.00 0.00 177.10 173.58 1pkl s TYR 140 N -2.92 2.41 -0.19 2.20 2.02 -1.26 -1.17 117.35 118.44 1pkl s TYR 140 Ca 0.65 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1pkl s TYR 140 Cb -0.19 -1.28 0.05 0.00 -0.40 0.00 0.00 41.96 40.14 1pkl s TYR 140 CO 0.58 0.38 -0.07 0.42 -1.57 0.00 0.00 175.55 175.29 1pkl s ILE 141 N -1.19 1.40 -0.14 2.71 1.01 0.18 -3.97 121.20 121.19 1pkl s ILE 141 Ca 0.17 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.76 1pkl s ILE 141 Cb -0.10 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1pkl s ILE 141 CO 0.08 0.09 0.35 -0.31 0.00 0.00 0.00 174.94 175.15 1pkl s TYR 142 N 1.49 3.48 0.03 3.97 2.02 -0.27 -0.84 117.35 127.24 1pkl s TYR 142 Ca -0.02 0.69 0.05 0.00 -0.37 0.00 0.00 57.07 57.43 1pkl s TYR 142 Cb -0.16 -2.40 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 1pkl s TYR 142 CO -0.08 0.23 -0.16 0.42 -1.57 0.00 0.00 175.55 174.40 1pkl s ILE 143 N 0.46 1.28 -0.54 2.71 1.01 0.49 0.32 121.20 126.93 1pkl s ILE 143 Ca 0.19 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 1pkl s ILE 143 Cb -0.14 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1pkl s ILE 143 CO 0.06 0.11 0.60 -0.67 0.00 0.00 0.00 174.94 175.04 1pkl n ASP 144 N 2.00 -7.46 -1.40 3.58 2.03 0.58 -1.62 116.55 114.27 1pkl n ASP 144 Ca -0.17 0.23 -0.18 0.00 0.52 0.00 0.00 54.79 55.19 1pkl n ASP 144 Cb 0.54 -5.05 -0.08 0.00 -0.72 0.00 0.00 41.12 35.82 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 -0.98 -5.32 0.00 1.67 2.03 -1.26 -2.03 116.55 110.66 1pkl n ASP 145 Ca 0.06 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1pkl n ASP 145 Cb 0.46 -4.43 0.00 0.00 -0.72 0.00 0.00 41.12 36.43 1pkl n ASP 145 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pkl n GLY 146 N -0.57 0.58 0.10 0.27 0.00 -1.24 -4.95 105.19 99.38 1pkl n GLY 146 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 1.43 -3.43 -0.61 2.04 -1.34 -3.43 117.51 112.17 1pkl h ILE 147 Ca 0.00 -1.48 -0.60 0.00 1.00 0.00 0.00 64.86 63.78 1pkl h ILE 147 Cb 0.00 2.25 -0.10 0.00 -0.74 0.00 0.00 36.82 38.23 1pkl h ILE 147 CO 0.00 0.41 0.18 -0.22 0.00 0.00 0.00 178.15 178.52 1pkl s LEU 148 N -8.93 4.10 -0.05 1.44 2.96 -0.64 -4.96 118.68 112.59 1pkl s LEU 148 Ca -0.15 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 1pkl s LEU 148 Cb 0.03 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 1pkl s LEU 148 CO 0.73 -0.35 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.71 1pkl s ILE 149 N 2.31 3.68 -0.03 6.68 1.01 -1.26 -0.38 121.20 133.21 1pkl s ILE 149 Ca 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1pkl s ILE 149 Cb -0.16 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.82 1pkl s ILE 149 CO 0.09 0.56 0.02 -0.76 0.00 0.00 0.00 174.94 174.85 1pkl s LEU 150 N -0.93 1.05 -0.29 2.97 1.43 -0.02 -2.87 118.68 120.02 1pkl s LEU 150 Ca 0.13 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1pkl s LEU 150 Cb -0.11 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1pkl s LEU 150 CO 0.03 -0.13 0.15 -1.58 0.23 0.00 0.00 176.35 175.04 1pkl s GLN 151 N 1.13 3.58 0.58 1.70 0.74 -1.03 0.48 119.66 126.83 1pkl s GLN 151 Ca -0.08 -0.56 -0.18 0.00 0.05 0.00 0.00 55.36 54.59 1pkl s GLN 151 Cb -0.13 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 1pkl s GLN 151 CO -0.03 -0.30 1.11 0.08 -0.55 0.00 0.00 175.29 175.60 1pkl s VAL 152 N 1.66 3.32 0.00 1.34 1.01 -0.31 -2.55 120.40 124.86 1pkl s VAL 152 Ca 0.06 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1pkl s VAL 152 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1pkl s VAL 152 CO 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 175.10 174.91 1pkl n GLN 153 N -1.66 0.50 -3.93 2.72 6.02 -0.96 0.10 117.38 120.17 1pkl n GLN 153 Ca 0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.00 1pkl n GLN 153 Cb 0.52 -0.47 -0.02 0.00 1.02 0.00 0.00 30.24 31.28 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 -0.91 0.08 -0.16 1.08 1.04 -1.23 -4.53 113.70 109.07 1pkl s SER 154 Ca 0.00 -1.02 -0.03 0.00 0.48 0.00 0.00 55.95 55.38 1pkl s SER 154 Cb 0.00 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 1pkl s SER 154 CO 0.00 -1.38 -0.05 -1.00 0.98 0.00 0.00 173.24 171.79 1pkl s HIS 155 N -3.32 2.99 -0.11 5.02 3.76 -1.26 -1.32 115.29 121.04 1pkl s HIS 155 Ca 0.19 -0.42 -0.18 0.00 -0.15 0.00 0.00 55.06 54.50 1pkl s HIS 155 Cb -0.03 -1.97 -0.16 0.00 1.11 0.00 0.00 32.58 31.53 1pkl s HIS 155 CO 0.11 -0.13 0.53 0.93 -0.85 0.00 0.00 174.74 175.34 1pkl h GLU 156 N 6.91 -0.03 0.00 1.40 4.39 -1.70 -3.48 114.58 122.07 1pkl h GLU 156 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1pkl h GLU 156 Cb 1.19 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1pkl h GLU 156 CO 0.61 0.54 0.00 -0.40 -1.16 0.00 0.00 179.01 178.60 1pkl n ASP 157 N -4.72 0.44 -1.86 1.42 5.75 -1.25 -5.01 116.55 111.32 1pkl n ASP 157 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.69 1pkl n ASP 157 Cb 0.28 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.68 1pkl n ASP 157 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1pkl n GLU 158 N 0.00 3.77 0.00 0.11 0.28 -1.26 -4.34 120.64 119.21 1pkl n GLU 158 Ca 0.00 -2.79 0.00 0.00 -0.16 0.00 0.00 57.16 54.21 1pkl n GLU 158 Cb 0.00 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 30.72 1pkl n GLU 158 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1pkl n GLN 159 N 0.09 1.96 -4.31 3.44 6.02 -1.26 -4.92 117.38 118.40 1pkl n GLN 159 Ca 0.34 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.02 1pkl n GLN 159 Cb 1.24 -0.17 -0.10 0.00 1.02 0.00 0.00 30.24 32.23 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 -0.06 3.44 -0.01 5.09 2.01 -1.26 -0.72 115.64 124.14 1pkl s THR 160 Ca 0.00 -1.12 0.06 0.00 0.31 0.00 0.00 61.69 60.94 1pkl s THR 160 Cb 0.00 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1pkl s THR 160 CO 0.00 0.20 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.18 1pkl s LEU 161 N -1.96 2.05 -0.25 4.42 1.43 -0.66 -1.77 118.68 121.94 1pkl s LEU 161 Ca 0.20 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 1pkl s LEU 161 Cb -0.11 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 1pkl s LEU 161 CO 0.12 0.22 0.40 -0.70 0.23 0.00 0.00 176.35 176.63 1pkl s GLU 162 N -0.51 4.08 0.22 1.70 2.12 -0.43 -2.10 118.70 123.77 1pkl s GLU 162 Ca 0.07 0.14 0.08 0.00 0.36 0.00 0.00 54.97 55.62 1pkl s GLU 162 Cb -0.07 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 1pkl s GLU 162 CO -0.01 -0.21 -0.13 0.00 -0.54 0.00 0.00 175.26 174.38 1pkl s THR 164 N -2.98 3.31 -0.55 0.00 2.01 -1.06 -1.41 115.64 114.96 1pkl s THR 164 Ca 0.24 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.38 1pkl s THR 164 Cb 0.00 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.17 1pkl s THR 164 CO 0.08 0.55 1.10 -0.69 -0.69 0.00 0.00 174.62 174.96 1pkl s VAL 165 N -0.08 4.18 -0.67 3.82 1.01 -0.39 -2.47 120.40 125.79 1pkl s VAL 165 Ca -0.01 0.77 0.25 0.00 0.00 0.00 0.00 61.98 62.99 1pkl s VAL 165 Cb -0.14 -4.64 0.27 0.00 0.00 0.00 0.00 36.38 31.88 1pkl s VAL 165 CO 0.03 -1.20 1.76 0.35 0.00 0.00 0.00 175.10 176.05 1pkl n THR 166 N 6.55 0.64 -3.67 3.92 -2.24 -1.14 -1.57 114.28 116.77 1pkl n THR 166 Ca 0.07 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 1pkl n THR 166 Cb 0.49 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.53 0.12 3.42 4.22 -1.26 -4.86 114.94 111.67 1pkl s ASN 167 Ca 0.09 0.89 -0.31 0.00 -2.14 0.00 0.00 52.86 51.39 1pkl s ASN 167 Cb 0.12 0.90 -0.08 0.00 1.28 0.00 0.00 41.25 43.47 1pkl s ASN 167 CO 0.53 -0.30 1.34 -0.44 -2.04 0.00 0.00 177.10 176.19 1pkl s SER 168 N -0.19 6.89 -0.29 3.54 0.01 -1.26 -4.49 113.70 117.91 1pkl s SER 168 Ca -0.04 2.28 -0.23 0.00 1.31 0.00 0.00 55.95 59.28 1pkl s SER 168 Cb -0.03 -2.59 0.14 0.00 0.21 0.00 0.00 66.02 63.74 1pkl s SER 168 CO 0.03 -0.59 1.07 -2.28 0.41 0.00 0.00 173.24 171.87 1pkl s HIS 169 N 0.90 -0.45 -0.17 2.43 5.04 -0.73 -4.97 115.29 117.34 1pkl s HIS 169 Ca 0.62 1.03 -0.13 0.00 -1.54 0.00 0.00 55.06 55.04 1pkl s HIS 169 Cb -0.35 0.37 -0.05 0.00 0.04 0.00 0.00 32.58 32.59 1pkl s HIS 169 CO 0.31 -0.22 0.26 0.99 -2.34 0.00 0.00 174.74 173.75 1pkl s THR 170 N 0.51 5.33 -0.05 0.89 2.01 -1.26 -1.90 115.64 121.17 1pkl s THR 170 Ca 0.00 0.48 0.06 0.00 0.31 0.00 0.00 61.69 62.54 1pkl s THR 170 Cb -0.05 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1pkl s THR 170 CO -0.10 0.40 -0.24 0.27 -0.69 0.00 0.00 174.62 174.26 1pkl s ILE 171 N 0.47 1.92 0.00 1.82 -4.36 -1.08 -4.99 121.20 114.98 1pkl s ILE 171 Ca 0.15 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 1pkl s ILE 171 Cb -0.13 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.96 1pkl s ILE 171 CO 0.03 0.54 0.00 -1.54 0.24 0.00 0.00 174.94 174.20 1pkl n SER 172 N 2.86 0.00 -4.63 4.36 3.41 -1.26 -2.01 113.62 116.34 1pkl n SER 172 Ca -0.17 -0.56 -0.30 0.00 -0.26 0.00 0.00 58.87 57.57 1pkl n SER 172 Cb 0.52 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.66 1pkl n SER 172 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1pkl s ASP 173 N -1.00 2.48 0.00 4.04 1.01 -1.26 -4.38 116.67 117.57 1pkl s ASP 173 Ca 0.00 2.06 0.00 0.00 0.71 0.00 0.00 52.55 55.32 1pkl s ASP 173 Cb 0.00 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1pkl s ASP 173 CO 0.00 -3.36 0.00 0.54 0.21 0.00 0.00 175.17 172.56 1pkl n ARG 174 N -4.39 0.00 -4.94 8.23 1.74 -1.17 -4.95 116.66 111.18 1pkl n ARG 174 Ca 0.10 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.85 1pkl n ARG 174 Cb 0.52 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.82 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 -0.87 2.74 0.53 5.56 0.52 -1.26 -4.86 118.95 121.31 1pkl s ARG 175 Ca 0.00 -0.74 -0.22 0.00 -0.52 0.00 0.00 55.73 54.25 1pkl s ARG 175 Cb 0.00 -2.40 -0.06 0.00 0.52 0.00 0.00 34.95 33.02 1pkl s ARG 175 CO 0.00 0.47 1.26 0.41 0.02 0.00 0.00 175.30 177.46 1pkl n GLY 176 N 2.75 0.50 3.31 -3.53 0.00 -1.26 -2.30 105.19 104.66 1pkl n GLY 176 Ca -0.17 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 1pkl n GLY 176 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pkl s VAL 177 N -1.31 1.90 -0.00 1.61 -7.23 0.29 -0.30 120.40 115.34 1pkl s VAL 177 Ca 0.71 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 59.51 1pkl s VAL 177 Cb -0.44 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 1pkl s VAL 177 CO 0.50 0.15 -0.20 0.20 -0.31 0.00 0.00 175.10 175.44 1pkl s ASN 178 N -1.54 2.38 -0.56 4.85 0.01 0.15 -4.34 114.94 115.89 1pkl s ASN 178 Ca 0.09 -0.40 0.02 0.00 -0.71 0.00 0.00 52.86 51.86 1pkl s ASN 178 Cb -0.10 -0.25 0.14 0.00 0.41 0.00 0.00 41.25 41.46 1pkl s ASN 178 CO 0.03 0.23 0.33 -0.76 -1.51 0.00 0.00 177.10 175.42 1pkl s LEU 179 N -0.62 4.65 0.18 0.60 1.02 -1.26 -1.11 118.68 122.13 1pkl s LEU 179 Ca 0.08 -2.98 -0.33 0.00 0.02 0.00 0.00 54.13 50.91 1pkl s LEU 179 Cb -0.08 -1.72 -0.14 0.00 0.02 0.00 0.00 46.19 44.27 1pkl s LEU 179 CO -0.00 -0.28 1.42 -2.65 0.02 0.00 0.00 176.35 174.86 1pkl n PRO 180 N 3.21 1.80 0.00 1.29 -0.02 -1.25 -2.02 135.00 138.01 1pkl n PRO 180 Ca 0.06 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1pkl n PRO 180 Cb 0.34 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1pkl n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkl n GLY 181 N 2.64 0.46 3.74 -1.23 0.00 -1.26 -4.74 105.19 104.80 1pkl n GLY 181 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1pkl n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl s ASP 183 N -0.21 6.05 -0.63 0.00 1.11 -1.26 -4.89 116.67 116.85 1pkl s ASP 183 Ca 0.42 -1.78 -0.25 0.00 0.18 0.00 0.00 52.55 51.12 1pkl s ASP 183 Cb -0.22 -2.58 0.04 0.00 1.07 0.00 0.00 42.92 41.23 1pkl s ASP 183 CO 0.27 -1.97 1.07 -0.69 1.18 0.00 0.00 175.17 175.03 1pkl s VAL 184 N 7.00 4.15 -1.26 -1.27 1.01 -1.26 -4.92 120.40 123.85 1pkl s VAL 184 Ca 0.58 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 1pkl s VAL 184 Cb 0.00 -4.70 0.17 0.00 0.00 0.00 0.00 36.38 31.86 1pkl s VAL 184 CO 0.04 -1.42 2.01 0.47 0.00 0.00 0.00 175.10 176.21 1pkl n ASP 185 N 8.14 6.39 -4.84 3.32 8.00 -1.26 -4.98 116.55 131.31 1pkl n ASP 185 Ca 0.02 -3.18 -0.31 0.00 0.71 0.00 0.00 54.79 52.03 1pkl n ASP 185 Cb 0.47 -1.40 0.05 0.00 -0.02 0.00 0.00 41.12 40.23 1pkl n ASP 185 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pkl s LEU 186 N -1.34 2.99 0.95 0.64 1.43 -1.26 -5.04 118.68 117.06 1pkl s LEU 186 Ca 0.44 1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 1pkl s LEU 186 Cb 0.13 -4.26 0.16 0.00 0.03 0.00 0.00 46.19 42.24 1pkl s LEU 186 CO -0.03 -1.41 1.09 -2.16 0.23 0.00 0.00 176.35 174.07 1pkl s PRO 187 N -5.15 0.79 0.00 1.29 0.04 -1.26 -5.03 135.00 125.68 1pkl s PRO 187 Ca 0.58 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1pkl s PRO 187 Cb -0.13 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1pkl s PRO 187 CO 0.54 -2.64 0.44 0.00 0.04 0.00 0.00 177.00 175.39 1pkl n ALA 188 N -4.19 -0.05 -2.79 8.56 0.00 -1.26 -4.58 120.51 116.20 1pkl n ALA 188 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 1pkl n ALA 188 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1pkl n ALA 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pkl s VAL 189 N -1.02 5.09 0.92 0.00 -7.23 -1.26 -4.40 120.40 112.50 1pkl s VAL 189 Ca 0.00 0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 60.12 1pkl s VAL 189 Cb 0.00 -3.29 0.20 0.00 0.56 0.00 0.00 36.38 33.85 1pkl s VAL 189 CO 0.00 0.49 1.25 -0.94 -0.31 0.00 0.00 175.10 175.59 1pkl s SER 190 N 0.07 3.27 0.09 4.85 1.04 -1.26 -4.87 113.70 116.88 1pkl s SER 190 Ca 0.07 -0.03 -0.21 0.00 0.48 0.00 0.00 55.95 56.26 1pkl s SER 190 Cb -0.12 -0.03 -0.11 0.00 0.10 0.00 0.00 66.02 65.86 1pkl s SER 190 CO 0.00 -2.61 1.66 0.00 0.98 0.00 0.00 173.24 173.27 1pkl h ALA 191 N -1.40 0.17 -0.50 5.32 0.00 -1.98 -2.00 119.26 118.87 1pkl h ALA 191 Ca -0.41 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.52 1pkl h ALA 191 Cb 1.23 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1pkl h ALA 191 CO 0.34 -0.27 0.05 -0.22 0.00 0.00 0.00 179.25 179.15 1pkl h LYS 192 N 0.09 0.17 -0.46 0.00 3.64 -1.98 -1.85 116.57 116.18 1pkl h LYS 192 Ca 0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1pkl h LYS 192 Cb 0.11 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1pkl h LYS 192 CO -0.01 0.11 0.27 -0.44 -2.27 0.00 0.00 179.45 177.11 1pkl h ASP 193 N 0.17 0.43 -0.27 4.20 3.32 -1.89 -0.97 116.42 121.41 1pkl h ASP 193 Ca 0.25 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.36 1pkl h ASP 193 Cb 0.37 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1pkl h ASP 193 CO -0.38 0.30 0.19 -0.09 -1.72 0.00 0.00 179.24 177.54 1pkl h ARG 194 N 0.54 0.12 0.14 3.56 2.43 -0.58 0.19 114.38 120.78 1pkl h ARG 194 Ca 0.19 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.15 1pkl h ARG 194 Cb 0.03 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1pkl h ARG 194 CO -0.09 0.08 -0.85 0.28 -1.51 0.00 0.00 179.97 177.88 1pkl h VAL 195 N 0.12 1.49 -0.64 0.20 2.07 -0.99 -3.14 116.25 115.35 1pkl h VAL 195 Ca 0.12 -2.51 -0.08 0.00 0.82 0.00 0.00 66.70 65.06 1pkl h VAL 195 Cb 0.33 3.13 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1pkl h VAL 195 CO -0.01 0.71 0.09 0.44 0.02 0.00 0.00 177.57 178.82 1pkl h ASP 196 N -0.30 1.02 0.31 0.57 3.32 -0.66 -2.51 116.42 118.17 1pkl h ASP 196 Ca -0.14 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.58 1pkl h ASP 196 Cb 1.65 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 1pkl h ASP 196 CO 0.16 1.02 -0.35 -0.07 -1.72 0.00 0.00 179.24 178.28 1pkl h LEU 197 N 0.99 0.06 -0.66 1.55 3.38 -0.76 0.11 115.31 119.98 1pkl h LEU 197 Ca 0.19 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1pkl h LEU 197 Cb 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1pkl h LEU 197 CO 0.01 0.41 -0.39 -0.61 0.09 0.00 0.00 178.44 177.96 1pkl h GLN 198 N 0.05 0.61 -0.16 1.13 5.75 -1.44 -1.45 115.11 119.60 1pkl h GLN 198 Ca 0.00 -0.30 -0.12 0.00 -0.15 0.00 0.00 58.65 58.08 1pkl h GLN 198 Cb 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.21 1pkl h GLN 198 CO 0.05 0.89 -0.37 0.35 -2.65 0.00 0.00 178.83 177.10 1pkl h PHE 199 N 0.50 0.69 -0.90 3.99 3.57 -1.00 -2.54 116.94 121.24 1pkl h PHE 199 Ca 0.05 -0.26 0.04 0.00 3.53 0.00 0.00 57.97 61.33 1pkl h PHE 199 Cb 0.89 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 1pkl h PHE 199 CO 0.04 1.00 0.58 0.78 -2.23 0.00 0.00 178.31 178.48 1pkl h GLY 200 N 0.18 1.33 1.04 2.40 0.00 -0.57 -0.08 103.07 107.37 1pkl h GLY 200 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1pkl h GLY 200 CO 0.08 0.35 -0.04 -2.08 0.00 0.00 0.00 176.54 174.86 1pkl h VAL 201 N 1.11 1.27 -0.26 4.60 2.07 -1.23 -1.51 116.25 122.29 1pkl h VAL 201 Ca 0.37 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 1pkl h VAL 201 Cb 0.05 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1pkl h VAL 201 CO -0.13 0.41 -0.18 -0.33 0.02 0.00 0.00 177.57 177.35 1pkl h GLU 202 N 0.80 0.46 -0.01 1.57 5.08 -0.97 -2.52 114.58 118.99 1pkl h GLU 202 Ca 0.14 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pkl h GLU 202 Cb 0.58 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1pkl h GLU 202 CO 0.03 0.63 -0.12 1.04 -1.00 0.00 0.00 179.01 179.59 1pkl n GLN 203 N -4.17 0.94 -3.02 2.33 1.13 -0.10 -4.98 117.38 109.52 1pkl n GLN 203 Ca 0.00 -0.43 -0.12 0.00 -1.94 0.00 0.00 57.00 54.51 1pkl n GLN 203 Cb 0.35 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.25 1pkl n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pkl n GLY 204 N 1.26 0.18 3.76 1.08 0.00 -0.63 -5.02 105.19 105.82 1pkl n GLY 204 Ca 0.15 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.16 3.10 -0.02 1.61 -7.23 -0.82 -4.97 120.40 108.91 1pkl s VAL 205 Ca 0.27 0.43 0.10 0.00 -1.81 0.00 0.00 61.98 60.97 1pkl s VAL 205 Cb -0.12 -2.89 -0.23 0.00 0.56 0.00 0.00 36.38 33.70 1pkl s VAL 205 CO 0.37 -0.40 0.76 0.44 -0.31 0.00 0.00 175.10 175.96 1pkl h ASP 206 N -0.70 0.03 -5.10 4.85 3.32 -1.51 -3.46 116.42 113.85 1pkl h ASP 206 Ca -0.45 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 1pkl h ASP 206 Cb 1.25 -0.01 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 1pkl h ASP 206 CO 0.51 1.05 -0.06 0.00 -1.72 0.00 0.00 179.24 179.02 1pkl s MET 207 N -2.62 1.17 -0.06 3.56 0.23 -1.14 -1.93 119.30 118.50 1pkl s MET 207 Ca -0.05 -0.80 0.05 0.00 -1.03 0.00 0.00 55.69 53.87 1pkl s MET 207 Cb 0.08 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.84 1pkl s MET 207 CO 0.82 -0.47 -0.22 0.42 -2.03 0.00 0.00 175.02 173.54 1pkl s ILE 208 N -3.84 2.31 -0.76 3.16 -1.09 0.63 -1.90 121.20 119.70 1pkl s ILE 208 Ca 0.06 -0.98 -0.09 0.00 -2.23 0.00 0.00 60.65 57.41 1pkl s ILE 208 Cb 0.01 -1.86 0.20 0.00 -1.58 0.00 0.00 42.46 39.23 1pkl s ILE 208 CO -0.08 0.57 0.65 -0.36 -1.23 0.00 0.00 174.94 174.49 1pkl s PHE 209 N -0.22 3.64 -0.23 3.97 0.08 -0.24 -0.12 117.98 124.86 1pkl s PHE 209 Ca -0.01 -2.35 -0.29 0.00 0.12 0.00 0.00 56.93 54.39 1pkl s PHE 209 Cb -0.13 -3.55 -0.02 0.00 -0.57 0.00 0.00 43.02 38.74 1pkl s PHE 209 CO 0.03 -0.92 1.60 0.00 -0.10 0.00 0.00 175.22 175.83 1pkl s ALA 210 N -0.06 3.26 0.41 5.36 0.00 -0.13 -1.66 121.76 128.94 1pkl s ALA 210 Ca 0.18 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 1pkl s ALA 210 Cb -0.14 -3.85 -0.09 0.00 0.00 0.00 0.00 23.12 19.04 1pkl s ALA 210 CO -0.07 -1.96 1.06 -1.12 0.00 0.00 0.00 175.76 173.67 1pkl s SER 211 N 4.20 6.69 -1.44 0.00 0.01 -1.26 -1.06 113.70 120.84 1pkl s SER 211 Ca 0.71 2.06 -0.02 0.00 1.31 0.00 0.00 55.95 60.01 1pkl s SER 211 Cb -0.24 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.41 1pkl s SER 211 CO 0.29 -0.54 0.43 0.49 0.41 0.00 0.00 173.24 174.32 1pkl n PHE 212 N -0.14 -1.65 -2.48 2.43 3.72 -1.24 -4.77 117.46 113.34 1pkl n PHE 212 Ca 0.05 0.75 -0.43 0.00 -0.05 0.00 0.00 57.45 57.77 1pkl n PHE 212 Cb 0.49 -3.65 -0.02 0.00 -0.94 0.00 0.00 39.48 35.36 1pkl n PHE 212 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1pkl s ILE 213 N -3.92 4.34 -0.04 4.37 -1.09 -1.10 -4.88 121.20 118.88 1pkl s ILE 213 Ca 0.07 1.64 0.14 0.00 -2.23 0.00 0.00 60.65 60.26 1pkl s ILE 213 Cb -0.04 -4.05 -0.21 0.00 -1.58 0.00 0.00 42.46 36.58 1pkl s ILE 213 CO 0.89 -0.08 0.26 0.54 -1.23 0.00 0.00 174.94 175.33 1pkl n ARG 214 N 5.90 0.66 -3.92 2.79 1.74 -1.26 -4.19 116.66 118.37 1pkl n ARG 214 Ca 0.12 -0.11 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 1pkl n ARG 214 Cb 0.46 -1.33 -0.05 0.00 -1.02 0.00 0.00 32.46 30.52 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 -3.76 -0.11 0.49 0.55 1.04 -1.26 -4.21 113.70 106.44 1pkl s SER 215 Ca -0.05 -0.80 0.28 0.00 0.48 0.00 0.00 55.95 55.86 1pkl s SER 215 Cb 0.08 0.56 1.19 0.00 0.10 0.00 0.00 66.02 67.95 1pkl s SER 215 CO 0.57 -1.08 1.93 0.00 0.98 0.00 0.00 173.24 175.65 1pkl h ALA 216 N 2.29 1.06 -0.24 5.32 0.00 -1.88 -2.60 119.26 123.21 1pkl h ALA 216 Ca -0.28 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 1pkl h ALA 216 Cb 1.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1pkl h ALA 216 CO 0.38 0.17 -0.58 1.49 0.00 0.00 0.00 179.25 180.71 1pkl h GLU 217 N 0.00 0.76 -0.58 0.00 4.81 -1.96 -3.18 114.58 114.44 1pkl h GLU 217 Ca -0.00 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1pkl h GLU 217 Cb 0.58 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1pkl h GLU 217 CO 0.02 1.12 0.31 1.96 -0.73 0.00 0.00 179.01 181.69 1pkl h GLN 218 N 0.57 0.80 -0.74 1.92 4.20 -1.88 -1.48 115.11 118.50 1pkl h GLN 218 Ca 0.00 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1pkl h GLN 218 Cb 1.17 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 1pkl h GLN 218 CO 0.12 0.59 0.35 0.28 -0.67 0.00 0.00 178.83 179.50 1pkl h VAL 219 N 0.80 1.24 -0.45 -0.54 2.07 -1.55 -1.72 116.25 116.11 1pkl h VAL 219 Ca 0.21 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1pkl h VAL 219 Cb 0.03 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1pkl h VAL 219 CO -0.03 0.29 0.29 1.23 0.02 0.00 0.00 177.57 179.36 1pkl h GLY 220 N 1.05 0.64 1.63 2.17 0.00 -1.29 -0.74 103.07 106.52 1pkl h GLY 220 Ca 0.25 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1pkl h GLY 220 CO -0.03 0.24 -0.32 -0.55 0.00 0.00 0.00 176.54 175.87 1pkl h ASP 221 N 0.61 0.43 -0.20 0.19 3.32 -0.83 -1.45 116.42 118.49 1pkl h ASP 221 Ca 0.16 -0.16 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1pkl h ASP 221 Cb -0.05 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1pkl h ASP 221 CO -0.03 0.73 -0.65 0.58 -1.72 0.00 0.00 179.24 178.15 1pkl h VAL 222 N 0.36 1.28 -0.44 -1.35 2.07 -0.69 -1.63 116.25 115.86 1pkl h VAL 222 Ca 0.05 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 1pkl h VAL 222 Cb 0.75 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1pkl h VAL 222 CO 0.06 0.59 0.11 -0.09 0.02 0.00 0.00 177.57 178.26 1pkl h ARG 223 N 0.60 0.66 -0.16 1.57 2.43 -0.89 -2.14 114.38 116.45 1pkl h ARG 223 Ca -0.01 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 1pkl h ARG 223 Cb 1.26 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1pkl h ARG 223 CO 0.14 0.60 -0.10 0.87 -1.51 0.00 0.00 179.97 179.97 1pkl h LYS 224 N 0.64 0.35 -0.11 0.20 1.79 -1.14 -2.77 116.57 115.53 1pkl h LYS 224 Ca 0.15 -0.16 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1pkl h LYS 224 Cb 0.24 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1pkl h LYS 224 CO -0.00 0.68 0.09 0.00 -1.08 0.00 0.00 179.45 179.14 1pkl h ALA 225 N 0.66 2.04 0.00 3.86 0.00 -0.97 0.38 119.26 125.23 1pkl h ALA 225 Ca 0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1pkl h ALA 225 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1pkl h ALA 225 CO 0.03 -0.14 -0.49 -0.07 0.00 0.00 0.00 179.25 178.57 1pkl h LEU 226 N 0.00 0.00 0.00 0.00 3.38 -1.28 -3.41 115.31 114.00 1pkl h LEU 226 Ca 0.05 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1pkl h LEU 226 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1pkl h LEU 226 CO -0.00 0.49 -0.13 0.61 0.09 0.00 0.00 178.44 179.50 1pkl n GLY 227 N 1.13 -1.85 0.21 0.83 0.00 0.12 -3.32 105.19 102.31 1pkl n GLY 227 Ca 0.02 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.80 1pkl n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pkl h PRO 228 N 0.00 0.00 0.00 1.61 0.13 -1.87 -2.94 132.00 128.93 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 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1pkl h PRO 228 CO 0.00 0.31 0.00 1.63 -0.23 0.00 0.00 178.00 179.71 1pkl n LYS 229 N -3.74 0.09 -1.03 0.86 5.02 -1.26 -3.37 118.16 114.73 1pkl n LYS 229 Ca -0.01 0.16 -0.04 0.00 -2.02 0.00 0.00 58.31 56.40 1pkl n LYS 229 Cb 0.40 -1.62 0.15 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.97 5.51 0.24 0.72 0.00 -1.11 -4.77 105.19 106.76 1pkl n GLY 230 Ca 0.05 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.48 1pkl n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pkl h ARG 231 N 1.35 0.00 -0.02 1.61 0.11 -1.61 -2.96 114.38 112.86 1pkl h ARG 231 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1pkl h ARG 231 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1pkl h ARG 231 CO 0.26 0.17 -0.12 -0.25 0.10 0.00 0.00 179.97 180.12 1pkl n ASP 232 N -3.45 1.82 -4.75 0.08 8.00 -1.26 -4.89 116.55 112.09 1pkl n ASP 232 Ca -0.01 -1.48 -0.40 0.00 0.71 0.00 0.00 54.79 53.61 1pkl n ASP 232 Cb 0.34 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.18 4.38 0.25 0.53 1.01 -1.12 -5.00 121.20 119.07 1pkl s ILE 233 Ca 0.30 1.95 -0.23 0.00 0.00 0.00 0.00 60.65 62.67 1pkl s ILE 233 Cb 0.20 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 1pkl s ILE 233 CO 0.40 0.41 0.82 -0.04 0.00 0.00 0.00 174.94 176.54 1pkl s MET 234 N -0.56 4.45 -0.38 2.79 -1.94 -0.82 -4.93 119.30 117.91 1pkl s MET 234 Ca 0.42 1.11 -0.05 0.00 -1.71 0.00 0.00 55.69 55.46 1pkl s MET 234 Cb -0.24 -2.93 0.08 0.00 2.01 0.00 0.00 34.83 33.75 1pkl s MET 234 CO 0.29 0.39 0.16 0.42 -0.01 0.00 0.00 175.02 176.26 1pkl s ILE 235 N -1.48 3.56 -0.34 2.53 1.01 -1.26 -0.27 121.20 124.94 1pkl s ILE 235 Ca 0.44 -1.59 -0.17 0.00 0.00 0.00 0.00 60.65 59.34 1pkl s ILE 235 Cb -0.19 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1pkl s ILE 235 CO 0.23 -0.43 0.43 -0.63 0.00 0.00 0.00 174.94 174.54 1pkl s ILE 236 N 1.28 5.10 -0.19 2.92 -1.09 0.83 -0.83 121.20 129.22 1pkl s ILE 236 Ca 0.02 0.20 -0.25 0.00 -2.23 0.00 0.00 60.65 58.39 1pkl s ILE 236 Cb -0.22 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1pkl s ILE 236 CO -0.01 -0.14 0.85 0.00 -1.23 0.00 0.00 174.94 174.41 1pkl s LYS 238 N 2.40 3.92 -0.45 0.00 1.02 -0.22 -1.01 119.74 125.40 1pkl s LYS 238 Ca 0.38 0.71 -0.22 0.00 0.02 0.00 0.00 55.97 56.87 1pkl s LYS 238 Cb -0.16 -3.77 0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1pkl s LYS 238 CO 0.11 -0.89 0.69 0.42 -0.92 0.00 0.00 175.35 174.76 1pkl s ILE 239 N 3.43 4.76 0.00 2.17 -1.09 -0.46 -2.72 121.20 127.29 1pkl s ILE 239 Ca 0.39 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 1pkl s ILE 239 Cb -0.12 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1pkl s ILE 239 CO 0.17 -0.65 0.68 -0.62 -1.23 0.00 0.00 174.94 173.29 1pkl n GLU 240 N 6.43 0.63 -3.99 2.79 1.02 -1.26 -2.94 120.64 123.33 1pkl n GLU 240 Ca -0.00 -0.88 -0.12 0.00 -0.02 0.00 0.00 57.16 56.14 1pkl n GLU 240 Cb 0.48 -0.97 -0.03 0.00 -0.02 0.00 0.00 31.44 30.90 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 -0.40 0.41 0.41 1.62 2.20 -1.26 -3.23 114.94 114.70 1pkl s ASN 241 Ca 0.00 -1.24 0.08 0.00 -0.94 0.00 0.00 52.86 50.76 1pkl s ASN 241 Cb 0.00 0.70 0.87 0.00 -2.00 0.00 0.00 41.25 40.81 1pkl s ASN 241 CO 0.00 -1.37 2.02 1.12 -2.94 0.00 0.00 177.10 175.94 1pkl h HIS 242 N 2.11 0.40 -0.44 1.54 2.07 -1.97 -2.73 115.15 116.14 1pkl h HIS 242 Ca -0.28 -0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.17 1pkl h HIS 242 Cb 1.25 -0.13 -0.02 0.00 2.57 0.00 0.00 27.41 31.08 1pkl h HIS 242 CO 1.17 0.32 0.03 1.96 -3.07 0.00 0.00 177.93 178.35 1pkl h GLN 243 N 0.42 0.75 -0.74 5.12 4.20 -1.94 0.70 115.11 123.62 1pkl h GLN 243 Ca 0.11 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1pkl h GLN 243 Cb 0.07 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1pkl h GLN 243 CO -0.01 0.80 0.45 0.78 -0.67 0.00 0.00 178.83 180.18 1pkl h GLY 244 N 0.60 1.06 0.90 3.46 0.00 -1.66 0.54 103.07 107.97 1pkl h GLY 244 Ca 0.13 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1pkl h GLY 244 CO 0.02 0.41 -0.32 -2.08 0.00 0.00 0.00 176.54 174.57 1pkl h VAL 245 N 1.01 1.33 0.34 4.60 2.07 -1.21 -1.97 116.25 122.43 1pkl h VAL 245 Ca 0.27 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1pkl h VAL 245 Cb -0.06 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1pkl h VAL 245 CO -0.05 0.47 -0.17 1.56 0.02 0.00 0.00 177.57 179.41 1pkl h GLN 246 N 0.26 -0.44 -0.73 1.57 4.20 -0.37 -2.93 115.11 116.66 1pkl h GLN 246 Ca 0.02 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1pkl h GLN 246 Cb 0.90 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1pkl h GLN 246 CO 0.07 -0.23 0.00 0.09 -0.67 0.00 0.00 178.83 178.09 1pkl n ASN 247 N -5.25 1.31 -0.31 1.46 3.02 0.14 -4.43 115.26 111.19 1pkl n ASN 247 Ca -0.10 -2.09 0.11 0.00 -0.03 0.00 0.00 54.58 52.47 1pkl n ASN 247 Cb 0.23 -0.40 0.28 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.51 0.64 -0.13 2.41 6.09 -1.15 -1.72 117.51 124.15 1pkl h ILE 248 Ca 0.00 -0.20 0.01 0.00 -1.37 0.00 0.00 64.86 63.30 1pkl h ILE 248 Cb 0.54 0.00 -0.01 0.00 0.47 0.00 0.00 36.82 37.82 1pkl h ILE 248 CO 0.05 0.11 0.06 0.44 -3.07 0.00 0.00 178.15 175.73 1pkl h ASP 249 N 0.58 0.09 0.42 2.19 3.32 -1.85 -0.13 116.42 121.04 1pkl h ASP 249 Ca 0.53 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.45 1pkl h ASP 249 Cb 0.86 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1pkl h ASP 249 CO -0.42 0.07 -0.56 0.77 -1.72 0.00 0.00 179.24 177.37 1pkl h SER 250 N 0.13 0.16 -0.25 6.45 4.64 -1.80 -2.35 113.55 120.53 1pkl h SER 250 Ca 0.05 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 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 0.69 -0.04 0.40 -0.87 0.00 0.00 176.83 176.97 1pkl h ILE 251 N 0.11 1.27 -0.52 0.95 2.04 -0.98 -2.65 117.51 117.74 1pkl h ILE 251 Ca -0.00 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1pkl h ILE 251 Cb 1.03 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 1pkl h ILE 251 CO 0.08 0.32 0.24 0.40 0.00 0.00 0.00 178.15 179.19 1pkl h ILE 252 N 0.23 1.18 -0.49 -0.67 2.04 -0.98 -0.89 117.51 117.93 1pkl h ILE 252 Ca 0.07 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.46 1pkl h ILE 252 Cb 0.49 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1pkl h ILE 252 CO 0.02 0.21 0.27 -0.08 0.00 0.00 0.00 178.15 178.57 1pkl h GLU 253 N 0.73 0.53 0.00 2.37 4.57 -1.18 -3.18 114.58 118.41 1pkl h GLU 253 Ca 0.18 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1pkl h GLU 253 Cb 0.08 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1pkl h GLU 253 CO -0.02 0.35 -1.10 0.93 -1.18 0.00 0.00 179.01 177.99 1pkl h GLU 254 N 0.55 0.00 -7.43 1.92 4.39 -1.22 -3.48 114.58 109.31 1pkl h GLU 254 Ca 0.20 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.44 1pkl h GLU 254 Cb 0.05 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 28.81 1pkl h GLU 254 CO -0.11 0.11 0.26 -1.54 -1.16 0.00 0.00 179.01 176.57 1pkl s SER 255 N -5.56 4.04 0.00 1.42 1.04 -0.36 -4.95 113.70 109.33 1pkl s SER 255 Ca -0.01 0.11 0.16 0.00 0.48 0.00 0.00 55.95 56.68 1pkl s SER 255 Cb 0.09 -0.44 0.23 0.00 0.10 0.00 0.00 66.02 66.00 1pkl s SER 255 CO 0.79 -2.10 1.13 0.47 0.98 0.00 0.00 173.24 174.51 1pkl n ASP 256 N -3.20 2.68 0.00 7.02 8.00 -0.01 -4.94 116.55 126.10 1pkl n ASP 256 Ca 0.13 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1pkl n ASP 256 Cb 0.60 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.92 -0.45 3.10 0.44 0.00 -1.21 -4.19 105.19 103.79 1pkl n GLY 257 Ca 0.12 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1pkl n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkl s ILE 258 N -2.00 0.53 -0.09 -0.61 -1.09 -0.54 -1.31 121.20 116.09 1pkl s ILE 258 Ca 0.00 -1.45 0.01 0.00 -2.23 0.00 0.00 60.65 56.98 1pkl s ILE 258 Cb 0.00 -1.07 0.02 0.00 -1.58 0.00 0.00 42.46 39.83 1pkl s ILE 258 CO 0.00 -0.63 -0.12 -0.32 -1.23 0.00 0.00 174.94 172.64 1pkl s MET 259 N -2.63 1.78 -0.61 2.79 -2.45 -0.18 -1.29 119.30 116.71 1pkl s MET 259 Ca -0.01 -0.41 -0.20 0.00 -1.25 0.00 0.00 55.69 53.82 1pkl s MET 259 Cb -0.03 -1.57 0.09 0.00 1.25 0.00 0.00 34.83 34.58 1pkl s MET 259 CO -0.03 -0.07 0.79 0.08 1.05 0.00 0.00 175.02 176.85 1pkl s VAL 260 N 1.01 4.65 -1.07 10.11 1.01 0.65 -1.35 120.40 135.41 1pkl s VAL 260 Ca -0.08 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1pkl s VAL 260 Cb -0.15 -4.56 0.12 0.00 0.00 0.00 0.00 36.38 31.80 1pkl s VAL 260 CO -0.01 -1.24 1.35 0.00 0.00 0.00 0.00 175.10 175.20 1pkl s ALA 261 N 3.17 3.43 0.20 5.51 0.00 -1.15 -1.45 121.76 131.47 1pkl s ALA 261 Ca 0.15 -2.87 -0.11 0.00 0.00 0.00 0.00 51.96 49.13 1pkl s ALA 261 Cb -0.22 -4.23 0.25 0.00 0.00 0.00 0.00 23.12 18.92 1pkl s ALA 261 CO 0.08 -3.07 1.72 0.00 0.00 0.00 0.00 175.76 174.48 1pkl h ARG 262 N 8.36 0.29 -0.56 0.00 -0.00 -1.86 -1.09 114.38 119.52 1pkl h ARG 262 Ca 0.25 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.98 59.64 1pkl h ARG 262 Cb 0.96 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.84 1pkl h ARG 262 CO 1.25 0.19 0.07 0.78 0.00 0.00 0.00 179.97 182.26 1pkl h GLY 263 N 0.30 0.97 1.05 0.04 0.00 -1.90 0.64 103.07 104.17 1pkl h GLY 263 Ca 0.29 -0.62 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 1pkl h GLY 263 CO -0.34 0.58 -0.58 -0.55 0.00 0.00 0.00 176.54 175.64 1pkl h ASP 264 N 0.85 0.83 -0.05 0.19 3.32 -1.80 -2.90 116.42 116.86 1pkl h ASP 264 Ca 0.17 -0.59 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1pkl h ASP 264 Cb 0.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1pkl h ASP 264 CO 0.01 1.28 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.66 1pkl h LEU 265 N 0.43 0.28 -0.32 1.55 3.38 -1.07 -2.51 115.31 117.04 1pkl h LEU 265 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pkl h LEU 265 Cb 1.21 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1pkl h LEU 265 CO 0.12 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1pkl n GLY 266 N -0.93 -1.14 0.27 0.83 0.00 0.20 -2.18 105.19 102.24 1pkl n GLY 266 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 1.25 0.00 1.61 2.07 -1.39 -3.36 116.25 116.42 1pkl h VAL 267 Ca 0.00 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1pkl h VAL 267 Cb 0.31 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1pkl h VAL 267 CO 0.00 0.32 -1.44 -1.84 0.02 0.00 0.00 177.57 174.63 1pkl n GLU 268 N -4.39 1.00 -3.99 1.57 0.28 -1.19 -4.96 120.64 108.95 1pkl n GLU 268 Ca 0.03 -0.06 -0.35 0.00 -0.16 0.00 0.00 57.16 56.62 1pkl n GLU 268 Cb 0.22 -1.21 -0.08 0.00 1.43 0.00 0.00 31.44 31.81 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 -2.48 5.02 0.41 3.84 1.01 -0.93 -4.78 121.20 123.30 1pkl s ILE 269 Ca -0.03 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.39 1pkl s ILE 269 Cb 0.05 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.20 1pkl s ILE 269 CO 0.35 0.53 1.29 -2.65 0.00 0.00 0.00 174.94 174.47 1pkl n PRO 270 N 2.80 2.01 -0.27 2.79 -0.02 -1.26 -4.34 135.00 136.71 1pkl n PRO 270 Ca -0.18 0.71 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1pkl n PRO 270 Cb 0.53 -2.41 0.22 0.00 -0.02 0.00 0.00 33.50 31.82 1pkl n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pkl h ALA 271 N 2.20 1.05 -0.05 3.55 0.00 -1.96 0.57 119.26 124.64 1pkl h ALA 271 Ca -0.48 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1pkl h ALA 271 Cb 1.29 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1pkl h ALA 271 CO 0.60 -0.39 -0.05 1.05 0.00 0.00 0.00 179.25 180.47 1pkl h GLU 272 N 0.23 0.07 -0.06 0.00 9.09 -2.01 -1.80 114.58 120.10 1pkl h GLU 272 Ca 0.47 -0.01 -0.23 0.00 0.05 0.00 0.00 59.36 59.64 1pkl h GLU 272 Cb 0.85 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.95 1pkl h GLU 272 CO -0.58 0.12 -0.89 0.87 0.05 0.00 0.00 179.01 178.58 1pkl h LYS 273 N 0.07 0.61 -0.53 1.06 1.79 -1.25 -3.10 116.57 115.21 1pkl h LYS 273 Ca 0.02 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1pkl h LYS 273 Cb 0.14 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 1pkl h LYS 273 CO 0.01 1.20 0.34 0.28 -1.08 0.00 0.00 179.45 180.19 1pkl h VAL 274 N 0.38 1.14 0.06 0.50 2.07 -0.76 0.23 116.25 119.87 1pkl h VAL 274 Ca -0.08 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1pkl h VAL 274 Cb 1.52 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1pkl h VAL 274 CO 0.17 0.14 -0.03 0.58 0.02 0.00 0.00 177.57 178.45 1pkl h VAL 275 N 0.73 0.97 -0.46 2.57 2.07 -1.35 0.48 116.25 121.25 1pkl h VAL 275 Ca 0.19 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1pkl h VAL 275 Cb -0.06 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1pkl h VAL 275 CO -0.04 0.03 -0.03 0.58 0.02 0.00 0.00 177.57 178.13 1pkl h VAL 276 N -0.12 1.24 -0.76 2.57 2.07 -1.24 -2.16 116.25 117.85 1pkl h VAL 276 Ca -0.01 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 1pkl h VAL 276 Cb 0.10 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1pkl h VAL 276 CO 0.01 0.36 0.35 0.00 0.02 0.00 0.00 177.57 178.31 1pkl h ALA 277 N 1.25 0.99 -0.72 1.67 0.00 -0.29 -1.89 119.26 120.26 1pkl h ALA 277 Ca 0.14 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1pkl h ALA 277 Cb 0.48 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1pkl h ALA 277 CO 0.02 0.57 0.45 0.37 0.00 0.00 0.00 179.25 180.67 1pkl h GLN 278 N 1.09 0.84 -0.23 0.00 4.15 -0.27 0.17 115.11 120.86 1pkl h GLN 278 Ca 0.26 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 1pkl h GLN 278 Cb 0.15 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1pkl h GLN 278 CO -0.03 0.56 0.13 0.87 -1.93 0.00 0.00 178.83 178.43 1pkl h LYS 279 N 0.87 0.32 0.09 1.69 1.57 -1.06 -1.63 116.57 118.42 1pkl h LYS 279 Ca 0.30 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1pkl h LYS 279 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1pkl h LYS 279 CO -0.12 0.27 -0.04 0.82 -0.57 0.00 0.00 179.45 179.81 1pkl h ILE 280 N 0.27 0.95 -0.30 1.86 2.04 -0.81 -1.03 117.51 120.50 1pkl h ILE 280 Ca 0.08 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1pkl h ILE 280 Cb 0.04 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1pkl h ILE 280 CO -0.01 0.03 -0.05 -0.07 0.00 0.00 0.00 178.15 178.05 1pkl h LEU 281 N -0.17 0.46 -0.11 1.44 3.38 -0.93 -1.02 115.31 118.36 1pkl h LEU 281 Ca -0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1pkl h LEU 281 Cb 0.14 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1pkl h LEU 281 CO 0.02 0.56 -0.15 0.40 0.09 0.00 0.00 178.44 179.36 1pkl h ILE 282 N 0.46 1.37 -0.79 1.22 2.04 -1.17 -2.42 117.51 118.22 1pkl h ILE 282 Ca 0.09 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 1pkl h ILE 282 Cb 0.38 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 1pkl h ILE 282 CO 0.02 0.39 0.39 0.28 0.00 0.00 0.00 178.15 179.23 1pkl h SER 283 N -0.13 1.01 -0.67 1.72 0.02 -0.93 -0.06 113.55 114.52 1pkl h SER 283 Ca 0.01 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1pkl h SER 283 Cb 0.70 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1pkl h SER 283 CO 0.04 0.85 0.21 0.11 -1.14 0.00 0.00 176.83 176.89 1pkl h LYS 284 N 1.11 1.06 -0.28 3.45 1.57 -1.19 -1.09 116.57 121.20 1pkl h LYS 284 Ca 0.27 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1pkl h LYS 284 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1pkl h LYS 284 CO -0.04 0.90 -0.43 0.00 -0.57 0.00 0.00 179.45 179.31 1pkl h ASN 286 N 0.56 0.07 -0.44 0.00 -0.26 -0.56 -0.27 115.58 114.67 1pkl h ASN 286 Ca 0.04 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.73 1pkl h ASN 286 Cb 0.98 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.20 1pkl h ASN 286 CO 0.09 0.05 0.12 0.58 -1.06 0.00 0.00 177.43 177.21 1pkl h VAL 287 N 0.08 1.22 0.00 2.81 2.07 -1.11 -2.51 116.25 118.81 1pkl h VAL 287 Ca 0.02 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1pkl h VAL 287 Cb -0.01 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1pkl h VAL 287 CO -0.01 0.29 -0.24 0.00 0.02 0.00 0.00 177.57 177.63 1pkl h ALA 288 N 1.38 1.01 0.00 1.67 0.00 -0.83 -3.47 119.26 119.02 1pkl h ALA 288 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pkl h ALA 288 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pkl h ALA 288 CO -0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1pkl n GLY 289 N 0.19 0.65 3.28 0.00 0.00 -0.17 -5.07 105.19 104.07 1pkl n GLY 289 Ca 0.00 -0.75 -0.29 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 -2.90 1.88 0.36 1.61 1.02 -0.86 -4.76 119.74 116.08 1pkl s LYS 290 Ca 0.00 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 54.82 1pkl s LYS 290 Cb 0.00 -1.86 -0.12 0.00 -0.52 0.00 0.00 37.83 35.33 1pkl s LYS 290 CO 0.00 0.51 1.38 -0.35 -0.92 0.00 0.00 175.35 175.97 1pkl n PRO 291 N 2.36 2.38 -4.47 -1.68 -0.04 -1.26 -4.43 135.00 127.86 1pkl n PRO 291 Ca -0.16 0.84 -0.23 0.00 -0.04 0.00 0.00 63.50 63.91 1pkl n PRO 291 Cb 0.52 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.33 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 -1.11 0.94 -0.17 0.52 0.11 -1.26 -1.47 120.40 117.96 1pkl s VAL 292 Ca 0.54 -0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 59.16 1pkl s VAL 292 Cb -0.52 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 1pkl s VAL 292 CO 0.63 0.30 -0.03 -0.63 -3.33 0.00 0.00 175.10 172.04 1pkl s ILE 293 N 0.50 3.82 -0.27 7.04 1.01 -0.41 -1.18 121.20 131.70 1pkl s ILE 293 Ca -0.09 -0.37 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 1pkl s ILE 293 Cb -0.13 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 1pkl s ILE 293 CO 0.02 0.47 0.74 0.00 0.00 0.00 0.00 174.94 176.17 1pkl n ALA 295 N 5.97 1.70 -2.55 0.00 0.00 -0.53 -1.82 120.51 123.29 1pkl n ALA 295 Ca 0.03 -0.62 -0.23 0.00 0.00 0.00 0.00 53.44 52.62 1pkl n ALA 295 Cb 0.48 0.15 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.28 3.22 -1.27 0.00 -4.23 -1.25 -4.55 115.64 105.28 1pkl s THR 296 Ca -0.17 -1.66 -0.13 0.00 -1.18 0.00 0.00 61.69 58.56 1pkl s THR 296 Cb 0.05 -3.01 -0.00 0.00 1.34 0.00 0.00 72.50 70.87 1pkl s THR 296 CO 0.35 -0.21 0.61 0.00 -0.54 0.00 0.00 174.62 174.83 1pkl n GLN 297 N -1.15 -2.10 -3.92 3.99 6.02 -1.26 -4.73 117.38 114.22 1pkl n GLN 297 Ca -0.04 0.40 -0.35 0.00 -0.01 0.00 0.00 57.00 57.00 1pkl n GLN 297 Cb 0.61 -4.17 -0.11 0.00 1.02 0.00 0.00 30.24 27.58 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 -6.37 3.80 -1.53 -1.09 -1.94 -1.26 -4.47 119.30 106.43 1pkl s MET 298 Ca 0.26 -0.42 -0.13 0.00 -1.71 0.00 0.00 55.69 53.69 1pkl s MET 298 Cb -0.10 -3.25 0.09 0.00 2.01 0.00 0.00 34.83 33.57 1pkl s MET 298 CO 0.88 0.04 0.94 1.28 -0.01 0.00 0.00 175.02 178.16 1pkl n LEU 299 N 4.23 -2.50 -0.26 -0.03 4.77 -1.26 -4.83 117.00 117.11 1pkl n LEU 299 Ca -0.16 -0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 54.94 1pkl n LEU 299 Cb 0.52 -2.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.06 1pkl n LEU 299 CO 0.33 0.45 0.56 -0.33 -1.33 0.00 0.00 177.39 177.07 1pkl h GLU 300 N -2.03 -0.16 -0.01 3.23 5.08 -1.96 -2.01 114.58 116.72 1pkl h GLU 300 Ca -0.58 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1pkl h GLU 300 Cb 1.38 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1pkl h GLU 300 CO 0.68 -0.10 0.02 0.66 -1.00 0.00 0.00 179.01 179.26 1pkl h SER 301 N -0.16 0.00 0.00 1.42 4.64 -1.92 -2.02 113.55 115.51 1pkl h SER 301 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1pkl h SER 301 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1pkl h SER 301 CO -0.77 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.42 1pkl n MET 302 N -3.60 0.54 0.10 4.77 2.81 -0.76 -0.51 117.12 120.48 1pkl n MET 302 Ca -0.03 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.70 1pkl n MET 302 Cb 0.10 -1.03 -0.14 0.00 -0.71 0.00 0.00 33.22 31.44 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 1.44 0.00 2.03 2.02 -1.53 -3.39 112.91 113.48 1pkl h THR 303 Ca 0.00 -3.00 0.00 0.00 0.77 0.00 0.00 66.41 64.18 1pkl h THR 303 Cb 0.03 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1pkl h THR 303 CO 0.00 0.88 -0.77 0.00 0.37 0.00 0.00 175.52 176.00 1pkl n TYR 304 N -3.54 0.00 -3.76 3.16 0.18 -0.96 0.31 117.16 112.56 1pkl n TYR 304 Ca -0.10 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.33 1pkl n TYR 304 Cb 1.03 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.94 1pkl n TYR 304 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 1pkl s ASN 305 N -1.98 6.51 0.10 9.48 0.02 0.34 -4.91 114.94 124.49 1pkl s ASN 305 Ca 0.00 0.58 0.18 0.00 -1.02 0.00 0.00 52.86 52.61 1pkl s ASN 305 Cb 0.00 -2.10 0.77 0.00 0.02 0.00 0.00 41.25 39.94 1pkl s ASN 305 CO 0.00 0.29 1.57 -0.81 0.02 0.00 0.00 177.10 178.17 1pkl n PRO 306 N 1.33 0.07 -4.09 -0.60 -0.04 -1.26 -4.08 135.00 126.34 1pkl n PRO 306 Ca -0.13 0.30 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 1pkl n PRO 306 Cb 0.53 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 1pkl n PRO 306 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1pkl s ARG 307 N -3.11 0.34 0.84 0.54 3.52 -1.26 -4.98 118.95 114.83 1pkl s ARG 307 Ca 0.06 -0.22 -0.11 0.00 -0.13 0.00 0.00 55.73 55.34 1pkl s ARG 307 Cb 0.10 -0.30 0.13 0.00 -1.56 0.00 0.00 34.95 33.32 1pkl s ARG 307 CO 0.32 0.08 1.18 -1.25 -0.81 0.00 0.00 175.30 174.82 1pkl s PRO 308 N -0.27 1.42 0.63 5.12 0.04 -1.26 -4.50 135.00 136.19 1pkl s PRO 308 Ca -0.00 -0.35 -0.04 0.00 0.04 0.00 0.00 61.00 60.64 1pkl s PRO 308 Cb -0.03 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.55 1pkl s PRO 308 CO -0.00 -1.84 0.92 0.95 0.04 0.00 0.00 177.00 177.07 1pkl s THR 309 N -3.58 2.71 0.13 1.26 -4.23 -1.26 -4.96 115.64 105.72 1pkl s THR 309 Ca 0.67 -0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 60.70 1pkl s THR 309 Cb -0.07 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.65 1pkl s THR 309 CO 0.49 -0.11 1.68 0.03 -0.54 0.00 0.00 174.62 176.17 1pkl h ARG 310 N -0.31 0.58 -0.92 3.99 2.47 -2.00 -2.50 114.38 115.69 1pkl h ARG 310 Ca -0.44 -0.10 0.01 0.00 -1.26 0.00 0.00 59.98 58.19 1pkl h ARG 310 Cb 1.30 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 29.48 1pkl h ARG 310 CO 0.58 0.55 0.61 0.00 0.56 0.00 0.00 179.97 182.27 1pkl h ALA 311 N 1.00 1.36 -0.38 0.04 0.00 -1.99 -1.45 119.26 117.84 1pkl h ALA 311 Ca 0.13 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1pkl h ALA 311 Cb 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1pkl h ALA 311 CO -0.01 0.58 -0.18 0.93 0.00 0.00 0.00 179.25 180.58 1pkl h GLU 312 N 1.22 0.72 -0.31 0.00 5.08 -1.89 -1.42 114.58 117.99 1pkl h GLU 312 Ca 0.34 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1pkl h GLU 312 Cb -0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1pkl h GLU 312 CO -0.08 0.85 0.10 0.28 -1.00 0.00 0.00 179.01 179.15 1pkl h VAL 313 N 0.64 1.20 -0.23 3.13 2.07 -0.90 -2.43 116.25 119.72 1pkl h VAL 313 Ca 0.10 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 1pkl h VAL 313 Cb 0.65 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1pkl h VAL 313 CO 0.05 0.22 -0.22 0.77 0.02 0.00 0.00 177.57 178.41 1pkl h SER 314 N 0.34 0.42 -0.58 0.57 4.64 -1.16 -2.10 113.55 115.68 1pkl h SER 314 Ca 0.10 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1pkl h SER 314 Cb 0.25 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1pkl h SER 314 CO -0.00 0.65 0.35 -0.78 -0.87 0.00 0.00 176.83 176.17 1pkl h ASP 315 N 0.38 0.70 -0.37 4.97 3.58 -1.07 0.12 116.42 124.72 1pkl h ASP 315 Ca 0.06 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1pkl h ASP 315 Cb 0.59 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1pkl h ASP 315 CO 0.04 0.55 -0.00 0.58 -2.88 0.00 0.00 179.24 177.53 1pkl h VAL 316 N 0.78 1.26 -0.21 2.25 2.07 -1.19 -2.43 116.25 118.78 1pkl h VAL 316 Ca 0.21 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1pkl h VAL 316 Cb -0.02 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1pkl h VAL 316 CO -0.04 0.33 0.12 0.00 0.02 0.00 0.00 177.57 178.00 1pkl h ALA 317 N 0.87 0.26 0.00 1.67 0.00 -1.02 -2.76 119.26 118.29 1pkl h ALA 317 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 317 Cb 0.47 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pkl h ALA 317 CO 0.02 -0.22 -0.01 -0.91 0.00 0.00 0.00 179.25 178.13 1pkl h ASN 318 N 0.24 0.00 -0.03 0.00 2.35 -0.71 -0.38 115.58 117.06 1pkl h ASN 318 Ca 0.07 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 1pkl h ASN 318 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1pkl h ASN 318 CO -0.01 0.01 -0.51 0.00 -1.65 0.00 0.00 177.43 175.27 1pkl h ALA 319 N 1.99 0.71 -0.13 -0.83 0.00 -1.14 0.55 119.26 120.40 1pkl h ALA 319 Ca -0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1pkl h ALA 319 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pkl h ALA 319 CO 0.00 0.68 -0.40 0.28 0.00 0.00 0.00 179.25 179.81 1pkl h VAL 320 N 0.47 1.37 -0.28 0.00 2.07 -1.13 -1.22 116.25 117.52 1pkl h VAL 320 Ca 0.02 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1pkl h VAL 320 Cb 1.05 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1pkl h VAL 320 CO 0.10 0.51 0.09 -0.26 0.02 0.00 0.00 177.57 178.03 1pkl h PHE 321 N 0.10 0.38 -0.15 1.57 0.04 -0.95 -1.04 116.94 116.89 1pkl h PHE 321 Ca -0.01 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 1pkl h PHE 321 Cb 1.02 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1pkl h PHE 321 CO 0.11 0.32 -0.21 -0.91 -0.60 0.00 0.00 178.31 177.02 1pkl h ASN 322 N 0.39 0.25 0.00 2.17 -0.26 -0.79 -3.47 115.58 113.87 1pkl h ASN 322 Ca 0.10 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1pkl h ASN 322 Cb 0.11 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1pkl h ASN 322 CO -0.01 0.48 0.00 0.61 -1.06 0.00 0.00 177.43 177.45 1pkl n GLY 323 N -0.65 1.56 3.75 2.83 0.00 -0.40 -4.60 105.19 107.68 1pkl n GLY 323 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1pkl n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkl n ALA 324 N 0.00 1.84 0.05 4.61 0.00 -0.48 -4.92 120.51 121.60 1pkl n ALA 324 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1pkl n ALA 324 Cb 0.00 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 16.94 1pkl n ALA 324 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pkl h ASP 325 N 2.22 0.47 -3.89 0.00 5.19 -1.46 -3.45 116.42 115.49 1pkl h ASP 325 Ca -0.50 -0.95 -0.37 0.00 -0.62 0.00 0.00 57.03 54.58 1pkl h ASP 325 Cb 1.28 -0.15 -0.16 0.00 0.18 0.00 0.00 39.33 40.48 1pkl h ASP 325 CO 0.61 1.38 -0.73 0.00 -3.12 0.00 0.00 179.24 177.38 1pkl s VAL 327 N -2.83 1.75 0.16 0.00 -7.23 -0.42 -1.45 120.40 110.38 1pkl s VAL 327 Ca 0.14 -1.19 0.10 0.00 -1.81 0.00 0.00 61.98 59.23 1pkl s VAL 327 Cb -0.01 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 1pkl s VAL 327 CO 0.02 0.27 -0.23 -0.32 -0.31 0.00 0.00 175.10 174.53 1pkl s MET 328 N -1.08 1.40 -0.08 4.82 1.75 -0.76 -1.65 119.30 123.69 1pkl s MET 328 Ca 0.08 -1.42 0.04 0.00 -1.25 0.00 0.00 55.69 53.13 1pkl s MET 328 Cb -0.09 -1.70 0.00 0.00 2.84 0.00 0.00 34.83 35.88 1pkl s MET 328 CO 0.01 0.37 -0.20 -0.51 -0.65 0.00 0.00 175.02 174.05 1pkl s LEU 329 N -2.46 1.95 0.00 4.11 1.43 -0.15 -4.49 118.68 119.07 1pkl s LEU 329 Ca 0.17 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1pkl s LEU 329 Cb -0.08 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1pkl s LEU 329 CO 0.08 0.13 0.00 -1.20 0.23 0.00 0.00 176.35 175.59 1pkl n SER 330 N 3.53 0.00 0.27 2.29 7.64 -1.26 -1.39 113.62 124.71 1pkl n SER 330 Ca -0.20 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.81 1pkl n SER 330 Cb 0.53 0.00 0.76 0.00 -1.01 0.00 0.00 64.21 64.49 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 1.40 0.23 0.00 -1.96 -1.02 103.07 101.73 1pkl h GLY 331 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1pkl h GLY 331 CO 0.00 0.00 0.36 0.83 0.00 0.00 0.00 176.54 177.73 1pkl h GLU 332 N 0.00 0.64 0.00 4.80 3.07 -1.90 -0.05 114.58 121.13 1pkl h GLU 332 Ca -0.00 -0.04 -0.29 0.00 -0.50 0.00 0.00 59.36 58.53 1pkl h GLU 332 Cb 0.29 -0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 28.00 1pkl h GLU 332 CO 0.01 0.42 -2.11 0.25 -1.40 0.00 0.00 179.01 176.19 1pkl n THR 333 N -4.47 1.11 -0.06 1.13 -2.24 -1.08 -3.41 114.28 105.27 1pkl n THR 333 Ca 0.06 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 1pkl n THR 333 Cb 0.11 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 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 0.65 0.22 0.00 6.98 0.00 -0.70 -3.35 119.26 123.07 1pkl h ALA 334 Ca -0.44 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1pkl h ALA 334 Cb 1.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1pkl h ALA 334 CO 0.01 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.62 1pkl n LYS 335 N -4.66 0.41 -0.74 0.00 2.85 -0.75 -2.23 118.16 113.05 1pkl n LYS 335 Ca -0.05 -0.56 -0.30 0.00 -1.05 0.00 0.00 58.31 56.34 1pkl n LYS 335 Cb 0.28 -0.72 0.18 0.00 -0.65 0.00 0.00 35.03 34.12 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 -0.21 1.65 0.13 2.58 0.00 -0.11 -4.87 107.32 106.49 1pkl s GLY 336 Ca 0.00 0.35 0.23 0.00 0.00 0.00 0.00 44.72 45.30 1pkl s GLY 336 CO 0.00 0.84 1.04 1.17 0.00 0.00 0.00 173.10 176.15 1pkl n LYS 337 N -4.33 0.48 -3.14 2.90 4.81 0.15 -4.50 118.16 114.53 1pkl n LYS 337 Ca 0.09 0.06 -0.22 0.00 -0.87 0.00 0.00 58.31 57.36 1pkl n LYS 337 Cb 0.53 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 33.82 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 -2.36 1.62 -0.05 5.64 4.01 -1.26 -4.99 117.16 119.77 1pkl n TYR 338 Ca 0.01 -3.87 -0.10 0.00 -0.16 0.00 0.00 57.90 53.78 1pkl n TYR 338 Cb 0.50 -0.44 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 3.25 -0.33 -0.46 -0.72 0.11 -1.79 -1.95 132.00 130.11 1pkl h PRO 339 Ca 0.11 0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.12 1pkl h PRO 339 Cb 0.78 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1pkl h PRO 339 CO 0.62 -0.22 -0.23 -0.91 -0.21 0.00 0.00 178.00 177.05 1pkl h ASN 340 N -0.35 0.99 -0.25 -2.05 2.35 -1.92 -3.11 115.58 111.24 1pkl h ASN 340 Ca 0.12 -0.38 -0.07 0.00 -0.55 0.00 0.00 56.30 55.42 1pkl h ASN 340 Cb 0.55 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1pkl h ASN 340 CO -0.43 1.16 -0.07 -0.33 -1.65 0.00 0.00 177.43 176.11 1pkl h GLU 341 N 0.82 0.62 -0.07 0.81 3.07 -1.91 -0.82 114.58 117.11 1pkl h GLU 341 Ca 0.10 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 1pkl h GLU 341 Cb 0.80 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1pkl h GLU 341 CO 0.07 0.70 -0.04 0.28 -1.40 0.00 0.00 179.01 178.62 1pkl h VAL 342 N 0.58 1.33 -0.65 3.13 2.07 -1.39 -0.87 116.25 120.45 1pkl h VAL 342 Ca 0.11 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1pkl h VAL 342 Cb 0.48 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1pkl h VAL 342 CO 0.03 0.30 0.37 0.58 0.02 0.00 0.00 177.57 178.86 1pkl h VAL 343 N -0.23 1.20 -0.42 2.57 2.07 -1.45 0.11 116.25 120.10 1pkl h VAL 343 Ca 0.02 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1pkl h VAL 343 Cb 0.49 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1pkl h VAL 343 CO 0.01 0.21 0.19 1.56 0.02 0.00 0.00 177.57 179.57 1pkl h GLN 344 N 0.89 0.61 -0.64 1.57 4.20 -1.13 -1.24 115.11 119.37 1pkl h GLN 344 Ca 0.23 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1pkl h GLN 344 Cb 0.02 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1pkl h GLN 344 CO -0.04 0.53 0.15 -0.92 -0.67 0.00 0.00 178.83 177.89 1pkl h TYR 345 N 0.53 1.08 -0.49 2.96 5.03 -0.77 -1.59 116.97 123.73 1pkl h TYR 345 Ca 0.14 -0.13 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1pkl h TYR 345 Cb 0.13 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 1pkl h TYR 345 CO -0.01 0.90 0.27 1.98 -1.32 0.00 0.00 178.16 179.98 1pkl h MET 346 N 0.95 0.69 -0.79 1.82 4.05 -0.58 -1.47 114.93 119.60 1pkl h MET 346 Ca 0.20 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1pkl h MET 346 Cb 0.37 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1pkl h MET 346 CO 0.00 0.54 0.37 0.00 0.23 0.00 0.00 176.91 178.05 1pkl h ALA 347 N 1.11 1.18 -0.67 0.39 0.00 -1.04 -1.58 119.26 118.65 1pkl h ALA 347 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pkl h ALA 347 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1pkl h ALA 347 CO -0.03 0.62 0.33 -0.09 0.00 0.00 0.00 179.25 180.09 1pkl h ARG 348 N 1.12 0.95 -0.57 0.00 2.43 -0.82 -1.06 114.38 116.44 1pkl h ARG 348 Ca 0.27 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1pkl h ARG 348 Cb 0.12 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1pkl h ARG 348 CO -0.03 0.74 -0.03 0.82 -1.51 0.00 0.00 179.97 179.96 1pkl h ILE 349 N 0.92 1.27 -0.34 1.20 2.04 -0.88 -2.06 117.51 119.66 1pkl h ILE 349 Ca 0.23 -1.18 -0.08 0.00 1.00 0.00 0.00 64.86 64.83 1pkl h ILE 349 Cb 0.09 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1pkl h ILE 349 CO -0.03 0.42 -0.14 0.00 0.00 0.00 0.00 178.15 178.40 1pkl h LEU 351 N 0.54 0.66 -0.41 0.00 6.46 -1.09 -1.65 115.31 119.82 1pkl h LEU 351 Ca 0.09 -0.44 -0.05 0.00 -0.12 0.00 0.00 57.88 57.36 1pkl h LEU 351 Cb 0.56 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1pkl h LEU 351 CO 0.04 0.96 0.06 -0.08 -0.62 0.00 0.00 178.44 178.79 1pkl h GLU 352 N 0.36 0.69 -0.91 1.25 4.57 -1.17 -2.66 114.58 116.70 1pkl h GLU 352 Ca 0.05 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1pkl h GLU 352 Cb 0.74 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1pkl h GLU 352 CO 0.05 0.73 0.53 0.00 -1.18 0.00 0.00 179.01 179.15 1pkl h ALA 353 N 0.92 1.17 -0.66 2.92 0.00 -0.93 -2.70 119.26 119.98 1pkl h ALA 353 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pkl h ALA 353 Cb 0.39 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1pkl h ALA 353 CO 0.01 0.64 0.32 0.37 0.00 0.00 0.00 179.25 180.60 1pkl h GLN 354 N 1.27 0.95 -0.47 0.00 4.15 -1.16 -2.22 115.11 117.62 1pkl h GLN 354 Ca 0.33 -0.14 0.13 0.00 0.77 0.00 0.00 58.65 59.73 1pkl h GLN 354 Cb -0.02 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1pkl h GLN 354 CO -0.06 0.76 0.34 0.66 -1.93 0.00 0.00 178.83 178.59 1pkl h SER 355 N 0.92 0.06 0.74 -0.69 4.64 -1.13 -1.56 113.55 116.52 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 0.11 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1pkl h SER 355 CO -0.03 0.03 -1.02 0.00 -0.87 0.00 0.00 176.83 174.95 1pkl n ALA 356 N -2.61 2.86 -2.15 5.18 0.00 -0.98 -4.93 120.51 117.88 1pkl n ALA 356 Ca 0.08 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1pkl n ALA 356 Cb 0.50 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 1pkl n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pkl s LEU 357 N -4.67 4.36 -0.77 0.00 0.20 -0.59 -4.91 118.68 112.29 1pkl s LEU 357 Ca 0.01 2.31 -0.18 0.00 0.69 0.00 0.00 54.13 56.96 1pkl s LEU 357 Cb 0.12 -3.58 0.14 0.00 -0.43 0.00 0.00 46.19 42.44 1pkl s LEU 357 CO 0.79 -0.70 0.87 0.21 -0.29 0.00 0.00 176.35 177.23 1pkl s ASN 358 N 1.42 6.48 0.53 3.68 2.47 -1.26 -4.89 114.94 123.37 1pkl s ASN 358 Ca 0.66 -1.94 0.34 0.00 0.42 0.00 0.00 52.86 52.33 1pkl s ASN 358 Cb -0.36 -2.32 1.43 0.00 -1.45 0.00 0.00 41.25 38.55 1pkl s ASN 358 CO 0.30 -0.98 1.99 -0.33 -3.72 0.00 0.00 177.10 174.36 1pkl h GLU 359 N 8.73 0.00 -0.01 0.43 5.08 -1.93 -2.77 114.58 124.11 1pkl h GLU 359 Ca -0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1pkl h GLU 359 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1pkl h GLU 359 CO 1.02 0.00 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.87 1pkl h TYR 360 N 0.00 0.01 -0.31 4.33 3.20 -1.90 -1.90 116.97 120.40 1pkl h TYR 360 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pkl h TYR 360 Cb 0.44 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1pkl h TYR 360 CO 0.00 0.25 0.15 0.28 -1.64 0.00 0.00 178.16 177.20 1pkl h VAL 361 N 0.01 1.16 -0.00 1.81 2.07 -1.89 0.13 116.25 119.53 1pkl h VAL 361 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1pkl h VAL 361 Cb 0.44 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1pkl h VAL 361 CO 0.03 0.16 0.00 -0.26 0.02 0.00 0.00 177.57 177.53 1pkl h PHE 362 N 0.37 0.00 -0.11 1.57 -1.00 -1.58 0.33 116.94 116.53 1pkl h PHE 362 Ca 0.11 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.93 1pkl h PHE 362 Cb 0.12 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 1pkl h PHE 362 CO -0.02 0.02 -0.15 0.35 -1.61 0.00 0.00 178.31 176.90 1pkl h PHE 363 N -0.02 -0.39 0.05 -0.55 3.57 -1.11 0.30 116.94 118.78 1pkl h PHE 363 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1pkl h PHE 363 Cb 0.02 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1pkl h PHE 363 CO -0.07 -0.22 -0.17 -0.97 -2.23 0.00 0.00 178.31 174.65 1pkl h ASN 364 N -0.20 -0.47 -0.87 0.41 -0.00 -0.60 -0.68 115.58 113.18 1pkl h ASN 364 Ca 0.09 0.06 0.05 0.00 -0.00 0.00 0.00 56.30 56.49 1pkl h ASN 364 Cb 0.32 0.19 -0.06 0.00 -0.00 0.00 0.00 38.32 38.77 1pkl h ASN 364 CO -0.23 -0.23 0.55 0.28 -0.00 0.00 0.00 177.43 177.80 1pkl h SER 365 N -0.30 0.89 0.11 1.15 0.02 0.09 -1.07 113.55 114.44 1pkl h SER 365 Ca 0.04 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.80 1pkl h SER 365 Cb 0.34 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1pkl h SER 365 CO -0.12 0.59 -0.70 0.40 -1.14 0.00 0.00 176.83 175.86 1pkl h ILE 366 N 1.04 1.34 -0.70 3.27 5.03 -0.18 -2.76 117.51 124.54 1pkl h ILE 366 Ca 0.36 -2.02 -0.07 0.00 -0.12 0.00 0.00 64.86 63.01 1pkl h ILE 366 Cb 0.08 2.00 -0.03 0.00 -3.03 0.00 0.00 36.82 35.84 1pkl h ILE 366 CO -0.14 0.62 0.16 0.11 -0.68 0.00 0.00 178.15 178.22 1pkl h LYS 367 N 0.38 1.14 -0.59 2.37 1.57 -0.74 -2.77 116.57 117.92 1pkl h LYS 367 Ca -0.03 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.41 1pkl h LYS 367 Cb 1.28 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1pkl h LYS 367 CO 0.13 1.01 0.11 0.87 -0.57 0.00 0.00 179.45 180.99 1pkl h LYS 368 N 1.07 0.96 0.00 3.15 1.57 -1.18 -2.58 116.57 119.57 1pkl h LYS 368 Ca 0.22 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1pkl h LYS 368 Cb 0.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1pkl h LYS 368 CO 0.00 0.91 0.00 -0.07 -0.57 0.00 0.00 179.45 179.72 1pkl h LEU 369 N 0.87 0.00 -9.65 2.94 3.38 -1.32 -3.44 115.31 108.09 1pkl h LEU 369 Ca 0.18 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.63 1pkl h LEU 369 Cb 0.40 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.20 1pkl h LEU 369 CO 0.01 0.00 0.90 -1.10 0.09 0.00 0.00 178.44 178.34 1pkl s GLN 370 N -3.73 4.19 0.53 1.13 -1.52 -0.97 -4.99 119.66 114.29 1pkl s GLN 370 Ca -0.00 2.44 -0.17 0.00 -1.95 0.00 0.00 55.36 55.67 1pkl s GLN 370 Cb 0.10 -3.12 -0.07 0.00 -0.22 0.00 0.00 33.01 29.70 1pkl s GLN 370 CO 0.47 -0.63 1.02 -3.38 -0.25 0.00 0.00 175.29 172.52 1pkl s HIS 371 N 0.93 3.19 -0.24 0.91 -3.43 -1.26 -5.04 115.29 110.35 1pkl s HIS 371 Ca 0.69 1.52 -0.01 0.00 -0.80 0.00 0.00 55.06 56.46 1pkl s HIS 371 Cb -0.45 -2.92 0.02 0.00 -1.43 0.00 0.00 32.58 27.80 1pkl s HIS 371 CO 0.34 -0.68 -0.07 0.42 -2.00 0.00 0.00 174.74 172.75 1pkl s ILE 372 N -2.39 2.83 0.21 -5.38 1.01 -1.26 -4.01 121.20 112.20 1pkl s ILE 372 Ca 0.62 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1pkl s ILE 372 Cb -0.13 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.97 1pkl s ILE 372 CO 0.29 0.23 0.28 -2.65 0.00 0.00 0.00 174.94 173.09 1pkl n PRO 373 N 4.67 0.13 -3.96 2.79 -0.02 -1.26 -5.22 135.00 132.13 1pkl n PRO 373 Ca -0.17 -0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 60.61 1pkl n PRO 373 Cb 0.47 -0.23 -0.06 0.00 -0.02 0.00 0.00 33.50 33.66 1pkl n PRO 373 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pkl s MET 374 N -3.32 1.44 0.75 -0.52 0.23 -1.26 -5.13 119.30 111.49 1pkl s MET 374 Ca 0.17 -1.19 -0.11 0.00 -1.03 0.00 0.00 55.69 53.53 1pkl s MET 374 Cb -0.01 0.45 0.04 0.00 -1.53 0.00 0.00 34.83 33.79 1pkl s MET 374 CO 0.12 -0.58 1.09 -1.54 -2.03 0.00 0.00 175.02 172.07 1pkl s SER 375 N -2.99 4.92 0.19 -1.18 1.04 -1.26 -4.84 113.70 109.58 1pkl s SER 375 Ca 0.20 1.33 -0.12 0.00 0.48 0.00 0.00 55.95 57.84 1pkl s SER 375 Cb 0.00 -2.11 0.21 0.00 0.10 0.00 0.00 66.02 64.22 1pkl s SER 375 CO 0.06 -1.70 1.73 0.00 0.98 0.00 0.00 173.24 174.31 1pkl h ALA 376 N -0.90 0.63 -0.25 5.32 0.00 -2.02 -0.98 119.26 121.06 1pkl h ALA 376 Ca -0.46 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1pkl h ALA 376 Cb 1.25 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1pkl h ALA 376 CO 0.60 -0.26 0.14 -0.44 0.00 0.00 0.00 179.25 179.28 1pkl h ASP 377 N 0.30 0.22 -0.25 0.00 3.32 -1.98 0.06 116.42 118.09 1pkl h ASP 377 Ca 0.26 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.33 1pkl h ASP 377 Cb 0.34 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1pkl h ASP 377 CO -0.31 0.16 0.14 -0.08 -1.72 0.00 0.00 179.24 177.43 1pkl h GLU 378 N 0.29 0.28 -0.56 3.56 4.57 -1.83 -1.98 114.58 118.91 1pkl h GLU 378 Ca 0.10 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1pkl h GLU 378 Cb 0.01 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1pkl h GLU 378 CO -0.06 0.18 0.11 0.00 -1.18 0.00 0.00 179.01 178.07 1pkl h ALA 379 N 1.11 1.15 -0.34 2.92 0.00 -0.70 -2.77 119.26 120.62 1pkl h ALA 379 Ca 0.10 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1pkl h ALA 379 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pkl h ALA 379 CO -0.05 0.57 -0.32 0.28 0.00 0.00 0.00 179.25 179.73 1pkl h VAL 380 N 0.84 1.29 -0.20 0.00 2.07 -0.77 -2.15 116.25 117.33 1pkl h VAL 380 Ca 0.18 -1.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.11 1pkl h VAL 380 Cb 0.34 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1pkl h VAL 380 CO 0.00 0.49 -0.32 0.00 0.02 0.00 0.00 177.57 177.76 1pkl h SER 382 N 0.35 0.57 -0.21 0.00 4.64 -1.49 -2.34 113.55 115.08 1pkl h SER 382 Ca 0.04 -0.66 -0.05 0.00 -0.47 0.00 0.00 61.79 60.65 1pkl h SER 382 Cb 0.74 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1pkl h SER 382 CO 0.06 1.14 -0.03 0.28 -0.87 0.00 0.00 176.83 177.40 1pkl h SER 383 N 0.05 0.49 -0.23 4.97 0.02 -1.28 0.37 113.55 117.94 1pkl h SER 383 Ca -0.04 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1pkl h SER 383 Cb 1.13 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1pkl h SER 383 CO 0.10 0.58 0.07 0.00 -1.14 0.00 0.00 176.83 176.44 1pkl h ALA 384 N 1.48 0.30 0.00 3.77 0.00 -1.01 0.94 119.26 124.74 1pkl h ALA 384 Ca 0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1pkl h ALA 384 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1pkl h ALA 384 CO 0.01 -0.08 -0.41 0.28 0.00 0.00 0.00 179.25 179.06 1pkl h VAL 385 N 0.20 1.09 -0.35 0.00 2.07 -1.13 -2.28 116.25 115.86 1pkl h VAL 385 Ca 0.07 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 1pkl h VAL 385 Cb 0.23 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1pkl h VAL 385 CO -0.00 0.40 -0.01 -1.13 0.02 0.00 0.00 177.57 176.84 1pkl h ASN 386 N 0.00 0.61 -0.25 0.57 -0.00 0.30 -2.54 115.58 114.27 1pkl h ASN 386 Ca -0.00 -0.32 -0.02 0.00 -0.00 0.00 0.00 56.30 55.96 1pkl h ASN 386 Cb 0.82 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.96 1pkl h ASN 386 CO 0.05 0.78 0.12 0.28 -0.00 0.00 0.00 177.43 178.67 1pkl h SER 387 N 0.43 0.37 -0.17 1.15 0.02 -0.53 -0.37 113.55 114.45 1pkl h SER 387 Ca 0.10 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1pkl h SER 387 Cb 0.48 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1pkl h SER 387 CO 0.02 0.35 0.09 0.58 -1.14 0.00 0.00 176.83 176.73 1pkl h VAL 388 N 0.42 1.10 -0.42 2.27 2.07 -1.02 -0.85 116.25 119.81 1pkl h VAL 388 Ca 0.11 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 1pkl h VAL 388 Cb 0.09 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1pkl h VAL 388 CO -0.01 0.09 -0.12 1.88 0.02 0.00 0.00 177.57 179.43 1pkl h TYR 389 N 0.17 0.84 0.06 1.57 0.05 -0.97 -0.96 116.97 117.73 1pkl h TYR 389 Ca 0.06 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 1pkl h TYR 389 Cb 0.06 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.59 1pkl h TYR 389 CO -0.04 0.84 -0.03 0.93 -1.05 0.00 0.00 178.16 178.81 1pkl h GLU 390 N 0.69 -0.08 -0.03 4.88 5.08 -0.89 -3.23 114.58 121.00 1pkl h GLU 390 Ca 0.12 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1pkl h GLU 390 Cb 0.59 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1pkl h GLU 390 CO 0.04 0.18 0.00 0.25 -1.00 0.00 0.00 179.01 178.48 1pkl n THR 391 N -5.01 0.02 -3.77 1.13 -2.24 -0.34 -4.95 114.28 99.12 1pkl n THR 391 Ca -0.08 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.20 1pkl n THR 391 Cb 0.17 0.52 0.02 0.00 -2.10 0.00 0.00 70.33 68.93 1pkl n THR 391 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pkl n LYS 392 N 0.22 -4.02 -2.34 -0.78 5.02 -0.41 -4.90 118.16 110.95 1pkl n LYS 392 Ca 0.19 0.54 -0.36 0.00 -2.02 0.00 0.00 58.31 56.66 1pkl n LYS 392 Cb 0.36 -4.89 -0.01 0.00 -0.02 0.00 0.00 35.03 30.47 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 -3.74 2.86 -1.73 7.82 0.00 -0.92 -4.79 121.76 121.25 1pkl s ALA 393 Ca 0.05 0.80 0.20 0.00 0.00 0.00 0.00 51.96 53.01 1pkl s ALA 393 Cb -0.02 -3.34 0.58 0.00 0.00 0.00 0.00 23.12 20.34 1pkl s ALA 393 CO 0.84 -0.59 1.48 1.63 0.00 0.00 0.00 175.76 179.12 1pkl n LYS 394 N -0.85 2.77 -3.60 0.00 5.02 -0.92 -4.82 118.16 115.77 1pkl n LYS 394 Ca 0.09 -2.54 -0.04 0.00 -2.02 0.00 0.00 58.31 53.80 1pkl n LYS 394 Cb 0.50 -1.51 -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 -1.01 -2.08 -0.01 7.82 0.00 -1.26 -4.40 121.76 120.83 1pkl s ALA 395 Ca 0.44 1.65 0.04 0.00 0.00 0.00 0.00 51.96 54.08 1pkl s ALA 395 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1pkl s ALA 395 CO 0.30 -0.55 -0.11 -1.64 0.00 0.00 0.00 175.76 173.75 1pkl s MET 396 N -2.22 0.91 -0.19 0.00 -1.94 -0.73 -2.16 119.30 112.98 1pkl s MET 396 Ca 0.09 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 53.66 1pkl s MET 396 Cb -0.01 -0.88 0.03 0.00 2.01 0.00 0.00 34.83 35.98 1pkl s MET 396 CO -0.04 0.24 -0.19 0.08 -0.01 0.00 0.00 175.02 175.10 1pkl s VAL 397 N -0.31 2.06 -0.21 -6.03 1.01 0.16 -0.17 120.40 116.91 1pkl s VAL 397 Ca 0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1pkl s VAL 397 Cb -0.05 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1pkl s VAL 397 CO -0.00 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 1pkl s VAL 398 N 1.27 2.87 -0.51 2.92 1.01 0.55 -1.05 120.40 127.46 1pkl s VAL 398 Ca 0.03 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 1pkl s VAL 398 Cb -0.14 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1pkl s VAL 398 CO -0.12 0.43 0.80 -0.76 0.00 0.00 0.00 175.10 175.45 1pkl s LEU 399 N 1.40 4.38 -0.04 3.92 1.43 -0.71 -1.12 118.68 127.94 1pkl s LEU 399 Ca 0.05 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1pkl s LEU 399 Cb -0.14 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.35 1pkl s LEU 399 CO -0.07 -1.03 0.05 -0.55 0.23 0.00 0.00 176.35 174.98 1pkl s SER 400 N 2.57 0.95 0.01 2.29 0.15 -1.04 -4.28 113.70 114.35 1pkl s SER 400 Ca 0.26 0.06 0.12 0.00 0.70 0.00 0.00 55.95 57.09 1pkl s SER 400 Cb -0.14 -0.15 -0.20 0.00 -1.71 0.00 0.00 66.02 63.81 1pkl s SER 400 CO 0.18 -0.22 0.83 0.78 1.20 0.00 0.00 173.24 176.02 1pkl h ASN 401 N 8.17 0.00 0.00 5.45 -0.26 -1.95 -3.36 115.58 123.63 1pkl h ASN 401 Ca -0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.54 1pkl h ASN 401 Cb 1.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.38 1pkl h ASN 401 CO 0.23 0.92 -1.11 0.35 -1.06 0.00 0.00 177.43 176.77 1pkl n THR 402 N -3.09 0.00 -0.54 2.81 -2.24 -1.26 -4.42 114.28 105.54 1pkl n THR 402 Ca -0.12 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1pkl n THR 402 Cb 0.99 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 70.08 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 0.77 0.10 3.38 0.00 -1.26 -4.89 105.19 104.75 1pkl n GLY 403 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1pkl n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pkl h ARG 404 N 3.78 -0.15 -0.40 1.61 2.43 -1.93 -1.88 114.38 117.84 1pkl h ARG 404 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1pkl h ARG 404 Cb 0.00 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1pkl h ARG 404 CO 0.00 -0.05 0.21 0.77 -1.51 0.00 0.00 179.97 179.39 1pkl h SER 405 N -0.21 0.52 -1.00 -3.80 0.02 -1.93 -1.53 113.55 105.62 1pkl h SER 405 Ca -0.02 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1pkl h SER 405 Cb 0.17 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 1pkl h SER 405 CO 0.03 0.48 0.66 0.00 -1.14 0.00 0.00 176.83 176.86 1pkl h ALA 406 N 1.06 1.33 -0.04 3.77 0.00 -1.91 0.12 119.26 123.59 1pkl h ALA 406 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1pkl h ALA 406 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1pkl h ALA 406 CO -0.02 0.55 -0.57 -0.09 0.00 0.00 0.00 179.25 179.12 1pkl h ARG 407 N 1.27 0.14 -0.01 0.00 2.43 -1.07 -1.45 114.38 115.69 1pkl h ARG 407 Ca 0.40 -0.09 -0.25 0.00 -0.81 0.00 0.00 59.98 59.24 1pkl h ARG 407 Cb 0.01 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1pkl h ARG 407 CO -0.13 0.67 -0.95 1.25 -1.51 0.00 0.00 179.97 179.30 1pkl h LEU 408 N 0.10 0.85 -0.24 3.80 5.85 -0.41 -2.72 115.31 122.54 1pkl h LEU 408 Ca -0.00 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 57.96 1pkl h LEU 408 Cb 1.04 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1pkl h LEU 408 CO 0.08 1.48 0.06 0.58 -0.34 0.00 0.00 178.44 180.30 1pkl h VAL 409 N 0.31 1.21 -0.09 1.05 2.07 -0.76 -2.61 116.25 117.44 1pkl h VAL 409 Ca -0.12 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1pkl h VAL 409 Cb 1.62 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1pkl h VAL 409 CO 0.19 0.22 0.08 0.00 0.02 0.00 0.00 177.57 178.08 1pkl h ALA 410 N 0.87 1.80 -0.61 1.67 0.00 -1.31 -1.80 119.26 119.89 1pkl h ALA 410 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1pkl h ALA 410 Cb 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1pkl h ALA 410 CO 0.00 -0.12 0.29 -0.22 0.00 0.00 0.00 179.25 179.20 1pkl h LYS 411 N 0.00 0.86 0.00 0.00 3.64 -1.13 -2.22 116.57 117.71 1pkl h LYS 411 Ca 0.04 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1pkl h LYS 411 Cb 0.20 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 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 -4.36 0.00 -3.17 1.91 4.01 -0.68 -4.88 117.16 110.00 1pkl n TYR 412 Ca 0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.73 1pkl n TYR 412 Cb 0.13 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.74 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 -1.42 -1.55 -2.30 -0.72 5.12 -0.84 -3.76 116.66 111.19 1pkl n ARG 413 Ca 0.07 1.47 -0.33 0.00 -1.93 0.00 0.00 57.85 57.13 1pkl n ARG 413 Cb 0.23 -5.04 -0.01 0.00 -1.16 0.00 0.00 32.46 26.48 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 -3.24 3.56 -0.32 5.56 0.02 -1.26 -4.59 135.00 134.72 1pkl s PRO 414 Ca 0.05 1.31 -0.01 0.00 0.02 0.00 0.00 61.00 62.37 1pkl s PRO 414 Cb -0.01 -2.06 0.22 0.00 0.02 0.00 0.00 34.50 32.66 1pkl s PRO 414 CO 0.78 -0.63 2.02 0.27 -0.33 0.00 0.00 177.00 179.12 1pkl n ASN 415 N -1.46 6.49 -3.66 2.53 6.94 -1.26 -4.83 115.26 120.00 1pkl n ASN 415 Ca 0.09 -3.07 -0.11 0.00 -0.02 0.00 0.00 54.58 51.47 1pkl n ASN 415 Cb 0.53 -1.06 -0.05 0.00 -2.36 0.00 0.00 39.78 36.83 1pkl n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pkl s PRO 417 N -3.40 2.94 -0.17 0.00 0.02 -1.26 -4.81 135.00 128.31 1pkl s PRO 417 Ca 0.00 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 1pkl s PRO 417 Cb 0.01 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1pkl s PRO 417 CO -0.09 -1.32 -0.07 0.42 -0.33 0.00 0.00 177.00 175.61 1pkl s ILE 418 N -1.36 3.36 -0.24 2.83 1.01 -0.90 -1.77 121.20 124.13 1pkl s ILE 418 Ca 0.76 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.85 1pkl s ILE 418 Cb -0.39 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.62 1pkl s ILE 418 CO 0.44 0.48 -0.04 -0.69 0.00 0.00 0.00 174.94 175.13 1pkl s VAL 419 N 0.84 3.24 -0.21 2.92 1.01 0.76 -1.33 120.40 127.63 1pkl s VAL 419 Ca -0.02 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1pkl s VAL 419 Cb -0.15 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1pkl s VAL 419 CO 0.01 0.30 0.13 0.00 0.00 0.00 0.00 175.10 175.54 1pkl s VAL 421 N 0.54 3.84 0.20 0.00 1.01 -0.28 0.34 120.40 126.06 1pkl s VAL 421 Ca 0.08 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.53 1pkl s VAL 421 Cb -0.12 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1pkl s VAL 421 CO -0.00 0.17 -0.19 -0.89 0.00 0.00 0.00 175.10 174.19 1pkl s THR 422 N 1.50 2.04 -2.45 3.92 2.01 -0.66 -2.49 115.64 119.51 1pkl s THR 422 Ca 0.03 -2.10 0.24 0.00 0.31 0.00 0.00 61.69 60.17 1pkl s THR 422 Cb -0.16 -2.03 0.13 0.00 0.01 0.00 0.00 72.50 70.44 1pkl s THR 422 CO 0.01 -0.35 1.24 0.35 -0.69 0.00 0.00 174.62 175.18 1pkl n THR 423 N -0.04 0.00 -4.21 -0.82 -2.24 -1.26 -0.15 114.28 105.55 1pkl n THR 423 Ca -0.10 -0.35 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 1pkl n THR 423 Cb 0.58 1.24 -0.15 0.00 -2.10 0.00 0.00 70.33 69.90 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 -2.25 3.22 0.43 -0.78 0.52 -1.26 -4.77 118.95 114.05 1pkl s ARG 424 Ca 0.24 -0.72 0.20 0.00 -0.52 0.00 0.00 55.73 54.93 1pkl s ARG 424 Cb 0.19 -2.75 0.95 0.00 0.52 0.00 0.00 34.95 33.86 1pkl s ARG 424 CO 0.44 -0.11 1.87 1.25 0.02 0.00 0.00 175.30 178.77 1pkl h LEU 425 N 7.72 0.00 -0.80 2.53 5.85 -1.94 -2.47 115.31 126.21 1pkl h LEU 425 Ca -0.39 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.24 1pkl h LEU 425 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1pkl h LEU 425 CO 0.60 0.28 -0.41 -0.61 -0.34 0.00 0.00 178.44 177.96 1pkl h GLN 426 N 0.00 0.00 -0.26 1.25 4.15 -1.96 -2.66 115.11 115.63 1pkl h GLN 426 Ca -0.00 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.27 1pkl h GLN 426 Cb 0.65 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1pkl h GLN 426 CO 0.04 0.41 -0.42 1.15 -1.93 0.00 0.00 178.83 178.08 1pkl h THR 427 N 0.00 1.30 -0.69 2.39 2.02 -1.74 0.14 112.91 116.32 1pkl h THR 427 Ca -0.00 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.54 1pkl h THR 427 Cb 0.98 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 1pkl h THR 427 CO 0.05 0.51 0.29 0.00 0.37 0.00 0.00 175.52 176.75 1pkl h ARG 429 N 0.99 0.48 -0.19 0.00 3.08 -1.16 -3.32 114.38 114.25 1pkl h ARG 429 Ca 0.23 -0.44 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 1pkl h ARG 429 Cb 0.17 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1pkl h ARG 429 CO -0.02 1.08 -0.22 1.96 -1.07 0.00 0.00 179.97 181.69 1pkl h GLN 430 N 0.03 0.34 0.00 0.04 4.20 -0.53 -2.24 115.11 116.96 1pkl h GLN 430 Ca -0.05 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1pkl h GLN 430 Cb 1.23 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1pkl h GLN 430 CO 0.11 0.55 0.00 1.28 -0.67 0.00 0.00 178.83 180.11 1pkl n LEU 431 N -4.16 0.00 0.08 1.46 4.77 -0.32 -2.90 117.00 115.94 1pkl n LEU 431 Ca -0.01 0.12 0.09 0.00 -0.03 0.00 0.00 56.01 56.19 1pkl n LEU 431 Cb 0.36 -0.12 0.41 0.00 -2.33 0.00 0.00 43.42 41.74 1pkl n LEU 431 CO 0.40 -0.05 0.79 0.59 -1.33 0.00 0.00 177.39 177.79 1pkl n ASN 432 N -1.12 0.40 -0.94 -1.43 3.02 -0.84 -1.70 115.26 112.65 1pkl n ASN 432 Ca 0.11 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.38 1pkl n ASN 432 Cb 0.10 -0.69 0.16 0.00 -0.61 0.00 0.00 39.78 38.73 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 -1.96 0.40 -3.75 2.41 -5.35 -1.14 -4.79 119.36 105.17 1pkl n ILE 433 Ca 0.02 -0.70 -0.37 0.00 -0.27 0.00 0.00 62.75 61.43 1pkl n ILE 433 Cb 0.18 1.05 -0.12 0.00 -1.74 0.00 0.00 39.64 39.01 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 -1.40 4.62 0.46 7.28 2.01 -0.69 -4.50 115.64 123.42 1pkl s THR 434 Ca 0.31 -0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.99 1pkl s THR 434 Cb 0.19 -3.16 -0.08 0.00 0.01 0.00 0.00 72.50 69.46 1pkl s THR 434 CO 0.26 0.33 1.34 -1.58 -0.69 0.00 0.00 174.62 174.29 1pkl s GLN 435 N 1.47 3.68 -0.92 4.92 -0.44 -1.26 -3.77 119.66 123.35 1pkl s GLN 435 Ca 0.06 2.21 0.00 0.00 -2.50 0.00 0.00 55.36 55.13 1pkl s GLN 435 Cb -0.15 -2.58 0.00 0.00 -1.64 0.00 0.00 33.01 28.64 1pkl s GLN 435 CO 0.05 -0.75 0.00 0.41 0.50 0.00 0.00 175.29 175.50 1pkl n GLY 436 N 0.63 1.00 3.34 2.59 0.00 0.65 -4.94 105.19 108.45 1pkl n GLY 436 Ca 0.06 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.15 2.00 -0.01 1.61 1.01 -1.25 -2.12 120.40 119.49 1pkl s VAL 437 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.36 1pkl s VAL 437 Cb 0.00 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1pkl s VAL 437 CO 0.00 0.05 0.01 -1.61 0.00 0.00 0.00 175.10 173.55 1pkl s GLU 438 N -1.91 0.07 0.00 2.72 2.02 -0.44 -4.96 118.70 116.20 1pkl s GLU 438 Ca 0.10 0.07 -0.01 0.00 0.02 0.00 0.00 54.97 55.16 1pkl s GLU 438 Cb -0.10 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.88 1pkl s GLU 438 CO 0.05 -0.08 0.11 -1.12 0.02 0.00 0.00 175.26 174.24 1pkl s SER 439 N 0.58 5.84 -0.16 -0.19 0.01 -1.26 -0.18 113.70 118.34 1pkl s SER 439 Ca -0.05 0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.40 1pkl s SER 439 Cb -0.07 -1.71 0.02 0.00 0.21 0.00 0.00 66.02 64.46 1pkl s SER 439 CO -0.01 0.26 -0.17 -0.69 0.41 0.00 0.00 173.24 173.03 1pkl s VAL 440 N -1.25 1.81 -0.03 3.43 1.01 0.15 -4.92 120.40 120.60 1pkl s VAL 440 Ca 0.25 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1pkl s VAL 440 Cb -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1pkl s VAL 440 CO 0.16 0.50 0.85 0.12 0.00 0.00 0.00 175.10 176.73 1pkl s PHE 441 N 1.39 3.63 -0.33 5.22 5.36 -1.26 -1.65 117.98 130.34 1pkl s PHE 441 Ca 0.05 1.50 -0.03 0.00 -0.96 0.00 0.00 56.93 57.48 1pkl s PHE 441 Cb -0.13 -2.97 0.06 0.00 -0.34 0.00 0.00 43.02 39.64 1pkl s PHE 441 CO -0.12 0.04 0.06 0.12 -1.46 0.00 0.00 175.22 173.86 1pkl s PHE 442 N 0.88 3.31 -0.87 10.12 5.36 0.78 -4.94 117.98 132.62 1pkl s PHE 442 Ca 0.45 -1.84 -0.25 0.00 -0.96 0.00 0.00 56.93 54.33 1pkl s PHE 442 Cb -0.20 -2.33 -0.01 0.00 -0.34 0.00 0.00 43.02 40.15 1pkl s PHE 442 CO 0.24 -0.81 1.76 0.34 -1.46 0.00 0.00 175.22 175.29 1pkl s ASP 443 N 1.38 5.56 0.55 6.13 -1.08 -1.26 -4.25 116.67 123.71 1pkl s ASP 443 Ca -0.02 -0.67 0.34 0.00 -0.52 0.00 0.00 52.55 51.68 1pkl s ASP 443 Cb -0.20 -2.56 1.40 0.00 -1.46 0.00 0.00 42.92 40.10 1pkl s ASP 443 CO -0.01 -2.32 2.00 0.00 0.52 0.00 0.00 175.17 175.36 1pkl h ALA 444 N 11.47 1.01 0.00 3.66 0.00 -1.86 -0.34 119.26 133.19 1pkl h ALA 444 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pkl h ALA 444 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pkl h ALA 444 CO 1.27 0.02 -0.34 -0.44 0.00 0.00 0.00 179.25 179.75 1pkl h ASP 445 N 0.00 0.00 0.00 0.00 3.32 -1.89 -2.45 116.42 115.40 1pkl h ASP 445 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1pkl h ASP 445 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1pkl h ASP 445 CO 0.00 0.04 -0.82 0.29 -1.72 0.00 0.00 179.24 177.03 1pkl n LYS 446 N -2.35 2.54 0.00 3.56 5.02 -1.03 -4.71 118.16 121.19 1pkl n LYS 446 Ca 0.04 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1pkl n LYS 446 Cb 0.46 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.46 0.28 0.00 -0.35 4.77 -0.17 -5.09 117.00 114.99 1pkl n LEU 447 Ca 0.00 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1pkl n LEU 447 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1pkl n LEU 447 CO 0.19 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1pkl n GLY 448 N 0.64 1.38 0.12 -0.72 0.00 -0.92 -4.75 105.19 100.95 1pkl n GLY 448 Ca 0.00 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 44.10 1pkl n GLY 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1pkl h HIS 449 N 0.00 0.00 -6.53 1.61 3.86 -1.96 -3.40 115.15 108.72 1pkl h HIS 449 Ca 0.00 0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.77 1pkl h HIS 449 Cb 0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 1pkl h HIS 449 CO 0.00 0.00 -0.91 -3.47 0.86 0.00 0.00 177.93 174.41 1pkl n ASP 450 N -2.38 -5.19 -4.83 2.45 2.03 -1.26 -4.95 116.55 102.41 1pkl n ASP 450 Ca 0.05 -0.91 -0.33 0.00 0.52 0.00 0.00 54.79 54.12 1pkl n ASP 450 Cb 0.44 -2.39 -0.06 0.00 -0.72 0.00 0.00 41.12 38.40 1pkl n ASP 450 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1pkl s GLU 451 N -5.27 4.11 0.00 -0.67 2.12 -1.26 -2.98 118.70 114.75 1pkl s GLU 451 Ca 0.15 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.49 1pkl s GLU 451 Cb -0.07 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1pkl s GLU 451 CO 0.89 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.93 1pkl n GLY 452 N -0.93 1.12 2.11 -1.50 0.00 -1.26 -4.52 105.19 100.22 1pkl n GLY 452 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 -1.70 0.10 1.61 4.01 -1.16 -4.85 118.16 114.18 1pkl n LYS 453 Ca 0.00 0.30 -0.13 0.00 -0.51 0.00 0.00 58.31 57.98 1pkl n LYS 453 Cb 0.00 -3.91 -0.06 0.00 -0.51 0.00 0.00 35.03 30.56 1pkl n LYS 453 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1pkl h GLU 454 N 0.00 -0.45 -0.73 1.97 5.08 -1.83 -1.64 114.58 116.97 1pkl h GLU 454 Ca -0.06 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1pkl h GLU 454 Cb 0.45 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1pkl h GLU 454 CO 0.09 -0.30 0.35 0.45 -1.00 0.00 0.00 179.01 178.60 1pkl h HIS 455 N -0.47 1.04 -0.46 4.33 3.86 -1.90 -1.81 115.15 119.73 1pkl h HIS 455 Ca 0.04 -0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1pkl h HIS 455 Cb 0.51 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1pkl h HIS 455 CO -0.26 0.76 -0.13 0.00 0.86 0.00 0.00 177.93 179.16 1pkl h ARG 456 N 1.04 0.90 -0.60 2.45 3.08 -1.87 -1.08 114.38 118.29 1pkl h ARG 456 Ca 0.25 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1pkl h ARG 456 Cb 0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1pkl h ARG 456 CO -0.03 1.00 0.26 0.28 -1.07 0.00 0.00 179.97 180.41 1pkl h VAL 457 N 0.74 1.22 -0.82 2.04 2.07 -1.12 -0.91 116.25 119.48 1pkl h VAL 457 Ca 0.11 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1pkl h VAL 457 Cb 0.68 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1pkl h VAL 457 CO 0.05 0.26 0.39 0.00 0.02 0.00 0.00 177.57 178.30 1pkl h ALA 458 N 1.10 1.16 -0.33 1.67 0.00 -1.14 -0.58 119.26 121.15 1pkl h ALA 458 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1pkl h ALA 458 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1pkl h ALA 458 CO -0.02 0.64 0.08 0.00 0.00 0.00 0.00 179.25 179.96 1pkl h ALA 459 N 1.27 0.43 -0.76 0.00 0.00 -0.73 0.90 119.26 120.38 1pkl h ALA 459 Ca 0.28 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1pkl h ALA 459 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1pkl h ALA 459 CO -0.04 0.09 0.31 0.78 0.00 0.00 0.00 179.25 180.39 1pkl h GLY 460 N 0.37 1.22 1.31 0.00 0.00 -0.76 -1.43 103.07 103.78 1pkl h GLY 460 Ca 0.10 -0.66 -0.15 0.00 0.00 0.00 0.00 47.33 46.62 1pkl h GLY 460 CO 0.00 0.62 -0.42 -2.08 0.00 0.00 0.00 176.54 174.66 1pkl h VAL 461 N 1.10 1.29 -0.83 4.60 2.07 -0.94 -2.00 116.25 121.53 1pkl h VAL 461 Ca 0.25 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1pkl h VAL 461 Cb 0.21 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1pkl h VAL 461 CO -0.02 0.52 0.48 -0.08 0.02 0.00 0.00 177.57 178.48 1pkl h GLU 462 N 0.61 1.14 -0.24 1.57 4.57 -0.47 0.11 114.58 121.87 1pkl h GLU 462 Ca 0.05 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.01 1pkl h GLU 462 Cb 0.98 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1pkl h GLU 462 CO 0.09 0.82 -0.22 0.35 -1.18 0.00 0.00 179.01 178.87 1pkl h PHE 463 N 1.15 0.70 -0.97 0.92 3.57 -1.16 -0.35 116.94 120.81 1pkl h PHE 463 Ca 0.30 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1pkl h PHE 463 Cb -0.01 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 1pkl h PHE 463 CO 0.01 0.90 0.62 0.00 -2.23 0.00 0.00 178.31 177.60 1pkl h ALA 464 N 0.68 1.23 0.37 2.41 0.00 -0.83 -0.65 119.26 122.47 1pkl h ALA 464 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pkl h ALA 464 Cb 0.77 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pkl h ALA 464 CO 0.06 0.65 -0.18 0.87 0.00 0.00 0.00 179.25 180.65 1pkl h LYS 465 N 1.32 -0.48 -0.00 0.00 1.57 -0.65 0.17 116.57 118.50 1pkl h LYS 465 Ca 0.35 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1pkl h LYS 465 Cb -0.11 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pkl h LYS 465 CO -0.07 -0.19 0.01 0.66 -0.57 0.00 0.00 179.45 179.29 1pkl h SER 466 N -0.76 0.00 0.25 0.86 4.64 -0.79 0.55 113.55 118.30 1pkl h SER 466 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1pkl h SER 466 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1pkl h SER 466 CO 0.08 0.00 -0.42 0.29 -0.87 0.00 0.00 176.83 175.91 1pkl n LYS 467 N -3.34 0.60 -1.01 4.77 4.76 -0.28 -4.97 118.16 118.69 1pkl n LYS 467 Ca -0.03 -0.39 -0.00 0.00 -2.87 0.00 0.00 58.31 55.01 1pkl n LYS 467 Cb 0.08 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.78 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 1.41 0.44 0.10 0.72 0.00 0.19 -4.94 105.19 103.11 1pkl n GLY 468 Ca 0.09 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 0.32 -4.25 1.61 0.05 -1.16 -3.46 116.97 110.07 1pkl h TYR 469 Ca -0.01 -0.19 -0.59 0.00 0.05 0.00 0.00 58.73 57.99 1pkl h TYR 469 Cb 0.03 -0.03 -0.27 0.00 1.01 0.00 0.00 36.73 37.48 1pkl h TYR 469 CO 0.02 1.06 -0.85 0.14 -1.05 0.00 0.00 178.16 177.47 1pkl s VAL 470 N -2.83 1.67 0.18 -2.88 -7.23 -1.20 -4.81 120.40 103.30 1pkl s VAL 470 Ca -0.16 -1.11 0.08 0.00 -1.81 0.00 0.00 61.98 58.99 1pkl s VAL 470 Cb 0.01 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 1pkl s VAL 470 CO 0.76 0.29 -0.17 0.00 -0.31 0.00 0.00 175.10 175.67 1pkl s GLN 471 N -0.96 1.29 -0.05 4.82 -2.07 -1.26 -4.27 119.66 117.15 1pkl s GLN 471 Ca 0.08 -1.46 -0.41 0.00 -1.82 0.00 0.00 55.36 51.75 1pkl s GLN 471 Cb -0.09 -1.26 -0.20 0.00 -1.09 0.00 0.00 33.01 30.38 1pkl s GLN 471 CO 0.01 0.24 1.13 2.41 -1.32 0.00 0.00 175.29 177.76 1pkl n THR 472 N 0.08 0.00 0.00 3.63 -1.04 -1.26 -1.37 114.28 114.33 1pkl n THR 472 Ca -0.12 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1pkl n THR 472 Cb 0.58 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1pkl n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pkl n GLY 473 N 1.78 3.05 3.85 3.41 0.00 0.12 -4.95 105.19 112.45 1pkl n GLY 473 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1pkl n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkl s ASP 474 N -0.71 5.04 0.02 1.61 1.01 -0.47 -4.64 116.67 118.53 1pkl s ASP 474 Ca 0.00 1.20 -0.03 0.00 0.71 0.00 0.00 52.55 54.43 1pkl s ASP 474 Cb 0.00 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 1pkl s ASP 474 CO 0.00 -1.61 0.22 -0.31 0.21 0.00 0.00 175.17 173.69 1pkl s TYR 475 N -3.28 3.55 -0.05 4.23 2.02 -1.26 0.82 117.35 123.38 1pkl s TYR 475 Ca 0.59 0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 57.70 1pkl s TYR 475 Cb -0.12 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1pkl s TYR 475 CO 0.53 0.61 -0.01 0.00 -1.57 0.00 0.00 175.55 175.11 1pkl s VAL 477 N 1.45 5.04 -0.06 0.00 1.01 -0.92 0.94 120.40 127.86 1pkl s VAL 477 Ca -0.03 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 1pkl s VAL 477 Cb -0.13 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1pkl s VAL 477 CO -0.03 0.12 -0.00 -0.69 0.00 0.00 0.00 175.10 174.50 1pkl s VAL 478 N 1.92 4.24 0.04 2.92 1.01 0.15 -0.66 120.40 130.03 1pkl s VAL 478 Ca 0.27 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1pkl s VAL 478 Cb -0.16 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1pkl s VAL 478 CO 0.10 0.53 0.10 -0.51 0.00 0.00 0.00 175.10 175.32 1pkl s ILE 479 N -0.95 0.14 -0.24 2.22 2.07 -0.22 -0.87 121.20 123.36 1pkl s ILE 479 Ca 0.15 -1.17 -0.10 0.00 -1.41 0.00 0.00 60.65 58.13 1pkl s ILE 479 Cb -0.11 -1.01 0.10 0.00 0.13 0.00 0.00 42.46 41.56 1pkl s ILE 479 CO 0.05 -0.65 0.53 -2.28 -1.91 0.00 0.00 174.94 170.68 1pkl s HIS 480 N -2.89 -0.97 -0.06 3.50 5.65 -0.88 -1.74 115.29 117.90 1pkl s HIS 480 Ca -0.03 1.83 -0.01 0.00 0.25 0.00 0.00 55.06 57.10 1pkl s HIS 480 Cb 0.00 0.50 0.03 0.00 -1.18 0.00 0.00 32.58 31.93 1pkl s HIS 480 CO -0.06 -0.52 -0.00 0.00 -0.65 0.00 0.00 174.74 173.51 1pkl s ALA 481 N 2.35 0.58 -0.02 1.58 0.00 -1.26 -2.65 121.76 122.33 1pkl s ALA 481 Ca -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1pkl s ALA 481 Cb -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1pkl s ALA 481 CO -0.16 -0.31 0.04 0.00 0.00 0.00 0.00 175.76 175.32 1pkl n ALA 489 N 4.79 -1.48 -2.56 0.00 0.00 -1.26 -5.03 120.51 114.97 1pkl n ALA 489 Ca -0.13 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 1pkl n ALA 489 Cb 0.50 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 1pkl n ALA 489 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1pkl s ASN 490 N -0.15 4.12 -0.29 0.00 0.01 -1.26 -5.11 114.94 112.25 1pkl s ASN 490 Ca -0.04 -0.85 -0.21 0.00 -0.71 0.00 0.00 52.86 51.04 1pkl s ASN 490 Cb 0.00 -0.58 0.18 0.00 0.41 0.00 0.00 41.25 41.26 1pkl s ASN 490 CO 0.11 -0.03 1.27 -1.58 -1.51 0.00 0.00 177.10 175.36 1pkl s GLN 491 N -3.62 0.16 -0.07 -0.60 0.74 -1.09 -4.99 119.66 110.19 1pkl s GLN 491 Ca 0.32 0.22 -0.05 0.00 0.05 0.00 0.00 55.36 55.89 1pkl s GLN 491 Cb -0.05 0.06 0.02 0.00 1.10 0.00 0.00 33.01 34.14 1pkl s GLN 491 CO 0.18 -0.02 0.17 0.99 -0.55 0.00 0.00 175.29 176.06 1pkl s THR 492 N 0.53 -0.01 0.08 -0.34 2.01 -1.26 -2.08 115.64 114.57 1pkl s THR 492 Ca -0.00 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.05 1pkl s THR 492 Cb -0.04 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1pkl s THR 492 CO -0.12 0.01 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.61 1pkl s ARG 493 N 0.29 0.72 -0.49 4.92 0.52 -0.05 -4.99 118.95 119.87 1pkl s ARG 493 Ca -0.02 -1.06 0.03 0.00 -0.52 0.00 0.00 55.73 54.17 1pkl s ARG 493 Cb -0.03 -0.34 0.13 0.00 0.52 0.00 0.00 34.95 35.24 1pkl s ARG 493 CO -0.01 0.04 0.25 0.42 0.02 0.00 0.00 175.30 176.02 1pkl s ILE 494 N -2.42 2.20 -0.03 1.52 1.01 -1.26 -0.67 121.20 121.56 1pkl s ILE 494 Ca 0.02 -3.07 -0.30 0.00 0.00 0.00 0.00 60.65 57.30 1pkl s ILE 494 Cb -0.03 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1pkl s ILE 494 CO -0.01 -0.83 0.98 -0.76 0.00 0.00 0.00 174.94 174.32 1pkl s LEU 495 N -0.08 4.34 -0.22 2.97 1.43 0.27 -4.84 118.68 122.56 1pkl s LEU 495 Ca 0.17 1.62 -0.28 0.00 -1.03 0.00 0.00 54.13 54.61 1pkl s LEU 495 Cb -0.25 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1pkl s LEU 495 CO 0.00 -0.30 1.00 -0.22 0.23 0.00 0.00 176.35 177.06 1pkl s LEU 496 N 1.25 4.12 0.38 1.79 2.96 -1.26 0.18 118.68 128.09 1pkl s LEU 496 Ca 0.51 1.34 -0.26 0.00 -0.22 0.00 0.00 54.13 55.50 1pkl s LEU 496 Cb -0.20 -3.48 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 1pkl s LEU 496 CO 0.25 -0.61 1.14 -0.69 -1.32 0.00 0.00 176.35 175.12 1pkl s VAL 497 N 2.98 3.30 -2.16 1.68 1.01 0.24 -4.93 120.40 122.52 1pkl s VAL 497 Ca 0.43 1.11 0.17 0.00 0.00 0.00 0.00 61.98 63.69 1pkl s VAL 497 Cb -0.15 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.73 1pkl s VAL 497 CO 0.08 0.12 1.05 -0.62 0.00 0.00 0.00 175.10 175.72