#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pym n LYS 6 N 0.00 1.07 -0.29 7.34 5.02 -1.26 -4.79 118.16 125.24 1pym n LYS 6 Ca 0.00 0.39 -0.04 0.00 -2.02 0.00 0.00 58.31 56.64 1pym n LYS 6 Cb 0.00 -1.90 0.07 0.00 -0.02 0.00 0.00 35.03 33.18 1pym n LYS 6 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1pym h LYS 7 N 1.19 1.07 -0.48 1.97 1.57 -1.89 -1.05 116.57 118.95 1pym h LYS 7 Ca -0.44 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.33 1pym h LYS 7 Cb 1.36 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 1pym h LYS 7 CO 0.54 0.73 0.15 1.79 -0.57 0.00 0.00 179.45 182.10 1pym h THR 8 N 1.09 0.81 -0.70 -0.16 1.35 -1.86 -1.12 112.91 112.33 1pym h THR 8 Ca 0.29 -0.11 -0.03 0.00 -0.55 0.00 0.00 66.41 66.01 1pym h THR 8 Cb -0.09 0.47 -0.03 0.00 -1.73 0.00 0.00 68.15 66.77 1pym h THR 8 CO -0.06 0.06 0.31 0.74 -0.25 0.00 0.00 175.52 176.32 1pym h THR 9 N 0.32 1.24 -0.47 6.82 2.02 -1.63 -1.05 112.91 120.16 1pym h THR 9 Ca 0.23 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.73 1pym h THR 9 Cb 0.26 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1pym h THR 9 CO -0.25 0.29 0.28 1.56 0.37 0.00 0.00 175.52 177.76 1pym h GLN 10 N 0.98 0.54 -0.44 6.66 4.20 -0.23 -1.32 115.11 125.50 1pym h GLN 10 Ca 0.24 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 1pym h GLN 10 Cb 0.16 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1pym h GLN 10 CO -0.03 0.36 -0.16 1.25 -0.67 0.00 0.00 178.83 179.58 1pym h LEU 11 N 0.55 0.83 -0.32 1.46 5.85 -1.06 -3.18 115.31 119.44 1pym h LEU 11 Ca 0.19 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1pym h LEU 11 Cb 0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1pym h LEU 11 CO -0.08 0.99 0.08 0.50 -0.34 0.00 0.00 178.44 179.59 1pym h LYS 12 N 0.74 0.52 -0.92 1.25 3.64 -0.64 -1.37 116.57 119.79 1pym h LYS 12 Ca 0.11 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1pym h LYS 12 Cb 0.67 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1pym h LYS 12 CO 0.05 0.58 0.00 1.04 -2.27 0.00 0.00 179.45 178.84 1pym n GLN 13 N -4.65 0.00 0.00 1.90 6.02 -0.55 -1.01 117.38 119.09 1pym n GLN 13 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1pym n GLN 13 Cb 0.19 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1pym n GLN 13 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pym n LEU 15 N 0.65 0.00 -0.09 1.08 4.77 -0.52 -0.54 117.00 122.34 1pym n LEU 15 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1pym n LEU 15 Cb 0.00 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.32 1pym n LEU 15 CO 0.00 0.00 0.44 0.59 -1.33 0.00 0.00 177.39 177.09 1pym n ASN 16 N 0.00 0.78 -4.77 -1.43 3.02 -0.18 -4.70 115.26 107.97 1pym n ASN 16 Ca 0.00 -0.58 -0.36 0.00 -0.03 0.00 0.00 54.58 53.60 1pym n ASN 16 Cb 0.00 0.32 -0.01 0.00 -0.61 0.00 0.00 39.78 39.48 1pym n ASN 16 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1pym s SER 17 N -2.83 6.16 0.31 6.41 1.04 0.30 -4.90 113.70 120.19 1pym s SER 17 Ca 0.15 2.24 0.17 0.00 0.48 0.00 0.00 55.95 58.98 1pym s SER 17 Cb 0.18 -2.60 0.16 0.00 0.10 0.00 0.00 66.02 63.87 1pym s SER 17 CO 0.66 -0.92 1.49 0.50 0.98 0.00 0.00 173.24 175.96 1pym h LYS 18 N 1.92 0.00 -6.91 4.02 1.63 -1.91 -3.45 116.57 111.88 1pym h LYS 18 Ca -0.49 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.74 1pym h LYS 18 Cb 1.25 0.00 0.15 0.00 -0.60 0.00 0.00 32.23 33.02 1pym h LYS 18 CO 0.60 0.41 0.37 -0.25 -3.45 0.00 0.00 179.45 177.12 1pym n ASP 19 N -3.22 1.78 -4.70 4.20 9.92 -1.26 -4.79 116.55 118.49 1pym n ASP 19 Ca 0.02 0.92 -0.42 0.00 -0.53 0.00 0.00 54.79 54.78 1pym n ASP 19 Cb 0.69 -1.48 -0.03 0.00 -0.64 0.00 0.00 41.12 39.66 1pym n ASP 19 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1pym s LEU 20 N -2.51 4.30 0.25 0.64 0.20 -1.26 -4.78 118.68 115.51 1pym s LEU 20 Ca 0.72 1.55 0.09 0.00 0.69 0.00 0.00 54.13 57.18 1pym s LEU 20 Cb -0.44 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 41.75 1pym s LEU 20 CO 0.49 -0.36 0.01 -1.61 -0.29 0.00 0.00 176.35 174.60 1pym s GLU 21 N 1.56 2.36 -0.07 1.98 0.41 0.09 -5.00 118.70 120.02 1pym s GLU 21 Ca 0.49 -1.35 0.01 0.00 -0.41 0.00 0.00 54.97 53.71 1pym s GLU 21 Cb -0.19 -2.22 0.02 0.00 -1.78 0.00 0.00 34.13 29.96 1pym s GLU 21 CO 0.22 0.38 -0.09 -0.06 -0.49 0.00 0.00 175.26 175.21 1pym s PHE 22 N -2.23 1.28 0.07 1.61 0.40 -1.26 -0.07 117.98 117.77 1pym s PHE 22 Ca 0.31 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1pym s PHE 22 Cb -0.07 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.46 1pym s PHE 22 CO 0.20 -0.31 0.01 0.44 0.70 0.00 0.00 175.22 176.26 1pym n ILE 23 N 4.14 0.00 -4.30 0.64 -5.35 -0.69 -4.21 119.36 109.57 1pym n ILE 23 Ca -0.21 -0.30 -0.30 0.00 -0.27 0.00 0.00 62.75 61.67 1pym n ILE 23 Cb 0.51 -0.04 -0.11 0.00 -1.74 0.00 0.00 39.64 38.27 1pym n ILE 23 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1pym s GLU 25 N -2.24 2.02 0.02 6.28 4.04 0.04 -0.96 118.70 127.90 1pym s GLU 25 Ca 0.01 -1.06 -0.06 0.00 0.04 0.00 0.00 54.97 53.89 1pym s GLU 25 Cb -0.00 -2.23 -0.00 0.00 0.02 0.00 0.00 34.13 31.91 1pym s GLU 25 CO 0.00 0.50 0.12 0.00 -1.84 0.00 0.00 175.26 174.05 1pym s ALA 26 N -1.15 -0.20 0.00 -0.84 0.00 -0.78 -4.67 121.76 114.12 1pym s ALA 26 Ca 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1pym s ALA 26 Cb -0.11 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1pym s ALA 26 CO 0.11 -0.28 0.29 -2.39 0.00 0.00 0.00 175.76 173.50 1pym n HIS 27 N 1.05 0.00 -3.87 0.00 1.44 -1.26 -3.72 115.22 108.86 1pym n HIS 27 Ca -0.21 -0.03 -0.07 0.00 -2.01 0.00 0.00 57.72 55.41 1pym n HIS 27 Cb 0.57 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.66 1pym n HIS 27 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1pym s ASN 28 N -0.05 -0.24 0.31 4.39 2.20 -1.26 -4.64 114.94 115.65 1pym s ASN 28 Ca 0.00 -0.65 -0.01 0.00 -0.94 0.00 0.00 52.86 51.26 1pym s ASN 28 Cb 0.00 0.72 0.48 0.00 -2.00 0.00 0.00 41.25 40.45 1pym s ASN 28 CO 0.00 -1.33 1.93 1.23 -2.94 0.00 0.00 177.10 175.99 1pym h GLY 29 N 2.03 1.00 0.87 0.45 0.00 -1.83 -2.16 103.07 103.43 1pym h GLY 29 Ca -0.20 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1pym h GLY 29 CO 0.25 0.42 0.04 -2.00 0.00 0.00 0.00 176.54 175.24 1pym h LEU 30 N 0.94 0.12 -1.19 3.11 5.85 -1.96 -2.14 115.31 120.04 1pym h LEU 30 Ca 0.24 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1pym h LEU 30 Cb 0.02 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1pym h LEU 30 CO -0.04 0.24 -0.38 0.77 -0.34 0.00 0.00 178.44 178.69 1pym h SER 31 N -0.00 0.00 -0.42 1.25 4.64 -1.95 -1.63 113.55 115.43 1pym h SER 31 Ca 0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1pym h SER 31 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1pym h SER 31 CO -0.00 0.38 -0.16 0.00 -0.87 0.00 0.00 176.83 176.18 1pym h ALA 32 N 1.62 0.83 -0.27 5.18 0.00 -1.15 -1.32 119.26 124.14 1pym h ALA 32 Ca -0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1pym h ALA 32 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1pym h ALA 32 CO 0.05 0.65 -0.02 -0.09 0.00 0.00 0.00 179.25 179.84 1pym h ARG 33 N 0.80 0.49 -0.02 0.00 9.65 -0.90 -2.02 114.38 122.38 1pym h ARG 33 Ca 0.12 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1pym h ARG 33 Cb 0.70 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1pym h ARG 33 CO 0.05 0.67 -0.02 0.82 2.80 0.00 0.00 179.97 184.29 1pym h ILE 34 N 0.27 0.95 -0.88 1.20 2.04 -1.07 -0.38 117.51 119.63 1pym h ILE 34 Ca 0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.00 1pym h ILE 34 Cb 0.46 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1pym h ILE 34 CO 0.02 0.00 0.54 0.58 0.00 0.00 0.00 178.15 179.29 1pym h VAL 35 N -0.02 1.03 0.37 1.67 2.07 -1.25 -1.90 116.25 118.22 1pym h VAL 35 Ca 0.01 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1pym h VAL 35 Cb 0.04 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1pym h VAL 35 CO -0.03 0.18 -0.21 -0.61 0.02 0.00 0.00 177.57 176.91 1pym h GLN 36 N 0.98 -0.53 0.00 1.57 5.75 -0.93 -2.59 115.11 119.36 1pym h GLN 36 Ca 0.39 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 1pym h GLN 36 Cb 0.19 0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1pym h GLN 36 CO -0.18 -0.36 0.00 0.93 -2.65 0.00 0.00 178.83 176.57 1pym h GLU 37 N -0.55 0.00 0.00 1.69 5.08 -0.61 -0.84 114.58 119.34 1pym h GLU 37 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pym h GLU 37 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1pym h GLU 37 CO 0.05 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 177.94 1pym h ALA 38 N 2.02 0.92 0.00 3.43 0.00 -0.95 -3.47 119.26 121.21 1pym h ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pym h ALA 38 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pym h ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1pym n GLY 39 N 1.26 0.87 3.76 0.00 0.00 -0.32 -5.08 105.19 105.68 1pym n GLY 39 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1pym n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pym s PHE 40 N -2.01 2.44 -1.91 1.61 0.08 -1.19 -4.91 117.98 112.09 1pym s PHE 40 Ca 0.00 1.37 0.25 0.00 0.12 0.00 0.00 56.93 58.67 1pym s PHE 40 Cb 0.00 -3.77 0.45 0.00 -0.57 0.00 0.00 43.02 39.13 1pym s PHE 40 CO 0.00 -2.67 1.37 1.63 -0.10 0.00 0.00 175.22 175.45 1pym n LYS 41 N -0.67 1.04 -3.55 0.44 5.02 -1.26 -4.72 118.16 114.45 1pym n LYS 41 Ca 0.08 -0.73 -0.11 0.00 -2.02 0.00 0.00 58.31 55.53 1pym n LYS 41 Cb 0.44 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1pym n LYS 41 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pym s GLY 42 N -2.47 -0.42 -0.01 0.72 0.00 -1.26 -4.17 107.32 99.71 1pym s GLY 42 Ca 0.22 0.20 0.04 0.00 0.00 0.00 0.00 44.72 45.18 1pym s GLY 42 CO 0.53 -0.03 -0.14 -0.42 0.00 0.00 0.00 173.10 173.04 1pym s ILE 43 N -3.79 1.14 -0.33 0.90 1.01 0.46 -4.57 121.20 116.02 1pym s ILE 43 Ca 0.03 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 1pym s ILE 43 Cb -0.01 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 1pym s ILE 43 CO -0.10 0.33 0.21 0.86 0.00 0.00 0.00 174.94 176.24 1pym s TRP 44 N -0.28 3.21 -1.24 3.97 -0.00 -1.26 -0.71 118.94 122.63 1pym s TRP 44 Ca 0.04 -0.35 -0.16 0.00 -0.00 0.00 0.00 56.10 55.63 1pym s TRP 44 Cb -0.06 -2.44 0.11 0.00 -0.00 0.00 0.00 33.47 31.08 1pym s TRP 44 CO -0.00 -0.40 1.58 0.20 -0.00 0.00 0.00 176.95 178.33 1pym s GLY 45 N 1.68 1.95 0.12 5.86 0.00 0.86 -1.86 107.32 115.94 1pym s GLY 45 Ca 0.05 -3.07 -0.31 0.00 0.00 0.00 0.00 44.72 41.39 1pym s GLY 45 CO 0.09 2.43 1.80 -0.45 0.00 0.00 0.00 173.10 176.96 1pym s SER 46 N 3.67 6.44 0.16 1.64 0.15 -1.24 -0.69 113.70 123.83 1pym s SER 46 Ca 0.48 2.73 -0.10 0.00 0.70 0.00 0.00 55.95 59.76 1pym s SER 46 Cb 0.01 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1pym s SER 46 CO 0.03 -0.98 1.57 1.23 1.20 0.00 0.00 173.24 176.29 1pym h GLY 47 N 8.43 1.07 0.93 9.45 0.00 -1.93 -0.79 103.07 120.23 1pym h GLY 47 Ca -0.45 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 45.98 1pym h GLY 47 CO 0.95 0.82 0.06 -2.00 0.00 0.00 0.00 176.54 176.36 1pym h LEU 48 N 0.85 0.14 -0.57 3.11 5.85 -1.93 -2.17 115.31 120.59 1pym h LEU 48 Ca 0.13 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1pym h LEU 48 Cb 0.71 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1pym h LEU 48 CO 0.05 0.18 -0.16 0.28 -0.34 0.00 0.00 178.44 178.46 1pym h SER 49 N 0.08 0.99 -0.34 1.25 0.02 -1.85 0.99 113.55 114.68 1pym h SER 49 Ca 0.04 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 1pym h SER 49 Cb 0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1pym h SER 49 CO -0.01 1.13 0.03 0.58 -1.14 0.00 0.00 176.83 177.42 1pym h VAL 50 N 0.86 1.25 -0.20 2.27 2.07 -1.20 -0.11 116.25 121.18 1pym h VAL 50 Ca 0.13 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1pym h VAL 50 Cb 0.72 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1pym h VAL 50 CO 0.06 0.30 0.04 0.77 0.02 0.00 0.00 177.57 178.76 1pym h SER 51 N 0.40 0.31 -0.24 0.57 4.64 -1.32 -2.53 113.55 115.39 1pym h SER 51 Ca 0.10 -0.24 0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1pym h SER 51 Cb 0.41 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1pym h SER 51 CO 0.01 0.47 -0.02 0.00 -0.87 0.00 0.00 176.83 176.42 1pym h ALA 52 N 0.85 0.19 -0.64 5.18 0.00 -0.77 -1.49 119.26 122.58 1pym h ALA 52 Ca 0.06 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1pym h ALA 52 Cb 0.29 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1pym h ALA 52 CO 0.00 -0.44 0.42 -0.56 0.00 0.00 0.00 179.25 178.67 1pym h GLN 53 N 0.04 0.67 0.00 0.00 -0.00 -0.91 0.10 115.11 115.00 1pym h GLN 53 Ca 0.11 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1pym h GLN 53 Cb 0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 1pym h GLN 53 CO -0.21 0.44 0.00 -0.07 -0.00 0.00 0.00 178.83 178.99 1pym h LEU 54 N 0.69 0.00 0.00 0.06 3.38 -0.86 -3.46 115.31 115.11 1pym h LEU 54 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1pym h LEU 54 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1pym h LEU 54 CO -0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.06 1pym n GLY 55 N 0.56 0.90 3.84 0.83 0.00 0.02 -5.07 105.19 106.28 1pym n GLY 55 Ca 0.03 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1pym n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pym s VAL 56 N -2.00 1.44 0.46 1.61 -7.23 -0.86 -4.99 120.40 108.83 1pym s VAL 56 Ca 0.00 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1pym s VAL 56 Cb 0.00 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 1pym s VAL 56 CO 0.00 0.00 0.73 -0.13 -0.31 0.00 0.00 175.10 175.39 1pym s ARG 57 N -4.10 3.30 -1.43 4.82 0.52 -1.26 -3.53 118.95 117.26 1pym s ARG 57 Ca 0.21 -0.12 -0.08 0.00 -0.52 0.00 0.00 55.73 55.23 1pym s ARG 57 Cb -0.01 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 33.05 1pym s ARG 57 CO 0.13 -0.23 2.54 -3.47 0.02 0.00 0.00 175.30 174.29 1pym n ASP 58 N -2.17 7.86 -2.39 0.23 2.03 -1.26 -4.27 116.55 116.58 1pym n ASP 58 Ca 0.00 -2.92 0.01 0.00 0.52 0.00 0.00 54.79 52.40 1pym n ASP 58 Cb 0.56 -1.46 0.04 0.00 -0.72 0.00 0.00 41.12 39.55 1pym n ASP 58 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1pym n SER 59 N 2.77 1.17 -3.62 1.67 7.64 -1.26 -3.80 113.62 118.18 1pym n SER 59 Ca 0.66 -2.02 -0.21 0.00 1.01 0.00 0.00 58.87 58.30 1pym n SER 59 Cb 0.26 -0.34 0.06 0.00 -1.01 0.00 0.00 64.21 63.17 1pym n SER 59 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pym n ASN 60 N -0.31 -2.50 -0.09 6.43 3.02 -1.26 -4.54 115.26 116.01 1pym n ASN 60 Ca 0.04 -0.72 -0.16 0.00 -0.03 0.00 0.00 54.58 53.72 1pym n ASN 60 Cb 0.90 -4.51 -0.09 0.00 -0.61 0.00 0.00 39.78 35.47 1pym n ASN 60 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1pym h GLU 61 N -2.01 0.00 -7.04 3.52 5.08 -1.95 -3.45 114.58 108.73 1pym h GLU 61 Ca -0.60 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.25 1pym h GLU 61 Cb 1.36 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.69 1pym h GLU 61 CO 0.56 0.74 0.49 0.00 -1.00 0.00 0.00 179.01 179.79 1pym s ALA 62 N -2.42 2.82 0.74 3.43 0.00 -1.26 -4.97 121.76 120.09 1pym s ALA 62 Ca -0.23 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 1pym s ALA 62 Cb 0.03 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.77 1pym s ALA 62 CO 0.50 -0.86 1.09 -1.54 0.00 0.00 0.00 175.76 174.95 1pym s SER 63 N -1.44 5.06 0.49 0.00 1.04 -1.26 -4.85 113.70 112.74 1pym s SER 63 Ca 0.69 1.25 0.17 0.00 0.48 0.00 0.00 55.95 58.54 1pym s SER 63 Cb -0.29 -2.04 1.19 0.00 0.10 0.00 0.00 66.02 64.98 1pym s SER 63 CO 0.34 -1.60 2.06 4.11 0.98 0.00 0.00 173.24 179.13 1pym h TRP 64 N -0.83 0.17 0.00 5.02 5.08 -1.94 -0.80 115.95 122.65 1pym h TRP 64 Ca -0.46 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.37 1pym h TRP 64 Cb 1.25 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 27.34 1pym h TRP 64 CO 0.50 0.09 -0.71 1.79 -1.28 0.00 0.00 178.44 178.84 1pym h THR 65 N 0.17 1.38 -0.47 0.12 1.35 -1.98 0.72 112.91 114.20 1pym h THR 65 Ca 0.15 -2.53 -0.09 0.00 -0.55 0.00 0.00 66.41 63.38 1pym h THR 65 Cb 0.38 2.42 -0.02 0.00 -1.73 0.00 0.00 68.15 69.20 1pym h THR 65 CO -0.02 0.69 -0.07 1.56 -0.25 0.00 0.00 175.52 177.43 1pym h GLN 66 N 0.00 0.88 0.19 4.72 4.20 -1.56 -0.22 115.11 123.32 1pym h GLN 66 Ca -0.01 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1pym h GLN 66 Cb 1.36 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1pym h GLN 66 CO 0.09 0.96 -0.09 0.28 -0.67 0.00 0.00 178.83 179.40 1pym h VAL 67 N 0.73 0.88 -0.90 -0.54 2.07 -1.02 -2.30 116.25 115.17 1pym h VAL 67 Ca 0.12 -0.30 0.13 0.00 0.82 0.00 0.00 66.70 67.48 1pym h VAL 67 Cb 0.61 1.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.35 1pym h VAL 67 CO 0.04 0.07 0.51 0.58 0.02 0.00 0.00 177.57 178.79 1pym h VAL 68 N -0.40 0.81 -0.63 2.57 2.07 -0.81 -0.77 116.25 119.08 1pym h VAL 68 Ca -0.03 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1pym h VAL 68 Cb 0.31 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1pym h VAL 68 CO 0.04 0.14 0.35 -0.08 0.02 0.00 0.00 177.57 178.04 1pym h GLU 69 N 0.76 0.88 -0.43 1.57 4.81 -0.74 0.14 114.58 121.57 1pym h GLU 69 Ca 0.47 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1pym h GLU 69 Cb 0.58 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1pym h GLU 69 CO -0.32 0.67 0.22 0.28 -0.73 0.00 0.00 179.01 179.13 1pym h VAL 70 N 0.86 0.98 -0.46 0.32 2.07 -0.63 -2.14 116.25 117.26 1pym h VAL 70 Ca 0.22 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1pym h VAL 70 Cb 0.04 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1pym h VAL 70 CO -0.04 0.08 0.30 -0.07 0.02 0.00 0.00 177.57 177.87 1pym h LEU 71 N 0.44 0.47 -0.37 2.57 -0.00 -0.73 -2.46 115.31 115.24 1pym h LEU 71 Ca 0.18 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 58.01 1pym h LEU 71 Cb 0.08 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 1pym h LEU 71 CO -0.12 0.33 0.04 -0.08 -0.00 0.00 0.00 178.44 178.61 1pym h GLU 72 N 0.55 0.62 -1.07 1.13 4.81 -0.10 0.17 114.58 120.68 1pym h GLU 72 Ca 0.18 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pym h GLU 72 Cb 0.04 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1pym h GLU 72 CO -0.04 0.70 0.00 1.19 -0.73 0.00 0.00 179.01 180.13 1pym n PHE 73 N -4.54 0.00 0.00 0.92 3.72 -0.93 -1.36 117.46 115.27 1pym n PHE 73 Ca -0.01 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1pym n PHE 73 Cb 0.24 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1pym n PHE 73 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1pym n SER 75 N 0.69 0.00 -0.05 4.37 7.64 0.61 -2.03 113.62 124.86 1pym n SER 75 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pym n SER 75 Cb 0.07 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.56 1pym n SER 75 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1pym h ASP 76 N 0.00 0.58 -0.17 6.43 3.32 -1.47 -2.69 116.42 122.42 1pym h ASP 76 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1pym h ASP 76 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1pym h ASP 76 CO 0.00 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 1pym n ALA 77 N -2.47 2.51 -3.06 3.45 0.00 -0.86 -4.93 120.51 115.14 1pym n ALA 77 Ca 0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 1pym n ALA 77 Cb 0.19 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 1pym n ALA 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pym s SER 78 N -1.27 0.07 -0.04 0.00 1.04 -1.02 -3.97 113.70 108.51 1pym s SER 78 Ca 0.22 -0.24 0.21 0.00 0.48 0.00 0.00 55.95 56.62 1pym s SER 78 Cb 0.12 0.18 -0.32 0.00 0.10 0.00 0.00 66.02 66.09 1pym s SER 78 CO 0.17 -0.32 0.43 0.47 0.98 0.00 0.00 173.24 174.97 1pym n ASP 79 N 1.64 0.16 -4.88 7.02 8.00 -1.26 -4.87 116.55 122.36 1pym n ASP 79 Ca -0.22 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 1pym n ASP 79 Cb 0.56 1.88 -0.03 0.00 -0.02 0.00 0.00 41.12 43.51 1pym n ASP 79 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1pym s VAL 80 N -3.38 4.82 0.63 2.53 -7.23 -1.26 -4.80 120.40 111.70 1pym s VAL 80 Ca -0.08 0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 60.45 1pym s VAL 80 Cb 0.13 -3.74 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 1pym s VAL 80 CO 0.87 -0.53 1.24 -2.16 -0.31 0.00 0.00 175.10 174.21 1pym s PRO 81 N -3.90 2.72 -0.12 4.82 0.04 -1.26 -4.80 135.00 132.49 1pym s PRO 81 Ca 0.50 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.47 1pym s PRO 81 Cb -0.10 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1pym s PRO 81 CO 0.32 -1.43 -0.17 0.42 0.04 0.00 0.00 177.00 176.18 1pym s ILE 82 N -1.55 2.62 -0.35 0.56 1.01 -1.26 -0.40 121.20 121.83 1pym s ILE 82 Ca 0.79 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1pym s ILE 82 Cb -0.33 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1pym s ILE 82 CO 0.37 0.54 0.21 -0.22 0.00 0.00 0.00 174.94 175.84 1pym s LEU 83 N 0.44 4.54 0.08 2.97 2.96 0.11 -1.37 118.68 128.41 1pym s LEU 83 Ca -0.13 -0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 52.79 1pym s LEU 83 Cb -0.17 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1pym s LEU 83 CO 0.06 -0.30 0.94 -0.22 -1.32 0.00 0.00 176.35 175.51 1pym s LEU 84 N 1.63 4.46 -0.76 -0.68 2.96 -0.39 -0.10 118.68 125.81 1pym s LEU 84 Ca 0.04 1.72 -0.24 0.00 -0.22 0.00 0.00 54.13 55.43 1pym s LEU 84 Cb -0.18 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.02 1pym s LEU 84 CO 0.08 -0.10 1.17 -0.62 -1.32 0.00 0.00 176.35 175.56 1pym s ASP 85 N 0.22 6.24 -0.20 3.68 2.15 0.13 0.62 116.67 129.51 1pym s ASP 85 Ca 0.47 -0.89 0.05 0.00 0.43 0.00 0.00 52.55 52.61 1pym s ASP 85 Cb -0.22 -2.50 0.43 0.00 -0.30 0.00 0.00 42.92 40.33 1pym s ASP 85 CO 0.29 -1.59 1.38 0.00 -0.17 0.00 0.00 175.17 175.07 1pym n ALA 86 N 8.48 3.83 -0.47 3.66 0.00 -0.10 -4.30 120.51 131.61 1pym n ALA 86 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1pym n ALA 86 Cb 0.48 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1pym n ALA 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pym n ASP 87 N -0.07 0.00 -1.22 0.00 8.00 -1.25 -0.79 116.55 121.21 1pym n ASP 87 Ca 0.26 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.88 1pym n ASP 87 Cb 1.00 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 42.35 1pym n ASP 87 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1pym n THR 88 N 0.00 0.64 0.00 -3.53 -2.24 -1.26 0.31 114.28 108.19 1pym n THR 88 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1pym n THR 88 Cb 0.00 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1pym n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pym n GLY 89 N 1.56 0.97 2.47 3.38 0.00 0.03 -4.50 105.19 109.09 1pym n GLY 89 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 1pym n GLY 89 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pym n TYR 90 N -1.53 -0.06 0.00 1.61 4.01 -1.26 -3.29 117.16 116.64 1pym n TYR 90 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1pym n TYR 90 Cb 0.00 -2.93 0.00 0.00 -0.31 0.00 0.00 39.34 36.10 1pym n TYR 90 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pym n GLY 91 N -0.93 -0.01 0.31 2.72 0.00 -1.26 -4.92 105.19 101.11 1pym n GLY 91 Ca -0.17 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.97 1pym n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pym n ASN 92 N 0.00 0.11 -0.20 1.61 6.94 -1.26 -4.81 115.26 117.64 1pym n ASN 92 Ca 0.00 -1.09 0.20 0.00 -0.02 0.00 0.00 54.58 53.67 1pym n ASN 92 Cb 0.00 -0.05 0.56 0.00 -2.36 0.00 0.00 39.78 37.93 1pym n ASN 92 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 1pym h PHE 93 N -0.42 0.40 -0.15 -2.53 -0.00 -1.94 -0.84 116.94 111.45 1pym h PHE 93 Ca -0.03 0.01 -0.15 0.00 -0.00 0.00 0.00 57.97 57.81 1pym h PHE 93 Cb 0.10 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 35.93 1pym h PHE 93 CO 0.00 0.11 -0.48 -0.97 -0.00 0.00 0.00 178.31 176.97 1pym h ASN 94 N 0.31 0.69 -0.19 -0.68 -1.24 -1.96 -0.06 115.58 112.45 1pym h ASN 94 Ca 0.43 -0.60 -0.06 0.00 0.71 0.00 0.00 56.30 56.78 1pym h ASN 94 Cb 1.21 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 40.04 1pym h ASN 94 CO -0.13 1.17 -0.07 0.78 -1.29 0.00 0.00 177.43 177.89 1pym h ASN 95 N 0.25 0.50 -0.18 1.15 2.35 -1.59 -1.69 115.58 116.37 1pym h ASN 95 Ca -0.02 -0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.47 1pym h ASN 95 Cb 1.11 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1pym h ASN 95 CO 0.10 0.62 -0.46 0.00 -1.65 0.00 0.00 177.43 176.05 1pym h ALA 96 N 1.43 0.30 -0.11 -0.83 0.00 -1.11 -1.75 119.26 117.21 1pym h ALA 96 Ca 0.10 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1pym h ALA 96 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1pym h ALA 96 CO 0.02 0.45 -0.45 0.07 0.00 0.00 0.00 179.25 179.35 1pym h ARG 97 N 0.32 0.26 -0.55 0.00 0.11 -0.92 -1.36 114.38 112.24 1pym h ARG 97 Ca -0.01 -0.13 -0.08 0.00 0.10 0.00 0.00 59.98 59.87 1pym h ARG 97 Cb 1.07 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.13 1pym h ARG 97 CO 0.10 0.66 0.05 -0.09 0.10 0.00 0.00 179.97 180.79 1pym h ARG 98 N 0.21 0.94 -0.28 0.08 2.43 -1.25 -2.59 114.38 113.92 1pym h ARG 98 Ca 0.01 -0.28 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1pym h ARG 98 Cb 0.88 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 1pym h ARG 98 CO 0.07 0.93 0.07 1.25 -1.51 0.00 0.00 179.97 180.78 1pym h LEU 99 N 0.83 0.05 -0.79 3.80 5.85 -0.83 -2.33 115.31 121.89 1pym h LEU 99 Ca 0.16 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.02 1pym h LEU 99 Cb 0.47 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1pym h LEU 99 CO 0.02 0.06 0.43 0.58 -0.34 0.00 0.00 178.44 179.19 1pym h VAL 100 N 0.18 0.86 -0.01 1.05 2.07 -1.01 0.96 116.25 120.36 1pym h VAL 100 Ca 0.13 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1pym h VAL 100 Cb 0.11 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1pym h VAL 100 CO -0.15 0.13 0.00 -0.09 0.02 0.00 0.00 177.57 177.48 1pym h ARG 101 N 0.70 0.00 -0.37 1.57 2.43 -1.21 0.19 114.38 117.69 1pym h ARG 101 Ca 0.39 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.48 1pym h ARG 101 Cb 0.41 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1pym h ARG 101 CO -0.27 0.00 -0.11 0.87 -1.51 0.00 0.00 179.97 178.94 1pym h LYS 102 N 0.00 0.64 -0.14 0.20 1.79 -0.81 -2.56 116.57 115.69 1pym h LYS 102 Ca 0.00 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 1pym h LYS 102 Cb 0.00 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1pym h LYS 102 CO -0.01 0.74 0.05 -0.07 -1.08 0.00 0.00 179.45 179.09 1pym h LEU 103 N 0.58 0.20 -0.58 2.94 3.38 -0.19 -2.49 115.31 119.15 1pym h LEU 103 Ca 0.10 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.94 1pym h LEU 103 Cb 0.54 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1pym h LEU 103 CO 0.03 0.32 0.32 -0.33 0.09 0.00 0.00 178.44 178.87 1pym h GLU 104 N 0.07 0.59 -0.50 1.13 5.08 -0.53 -1.52 114.58 118.90 1pym h GLU 104 Ca 0.05 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1pym h GLU 104 Cb 0.19 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1pym h GLU 104 CO -0.00 0.39 0.33 -0.44 -1.00 0.00 0.00 179.01 178.29 1pym h ASP 105 N 0.61 0.57 0.03 1.42 3.32 -1.36 -2.45 116.42 118.56 1pym h ASP 105 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1pym h ASP 105 Cb 0.13 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1pym h ASP 105 CO -0.15 0.41 -0.01 0.54 -1.72 0.00 0.00 179.24 178.31 1pym n ARG 106 N -4.46 1.20 -0.81 3.56 1.74 -0.61 -4.93 116.66 112.35 1pym n ARG 106 Ca 0.05 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1pym n ARG 106 Cb 0.06 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1pym n ARG 106 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pym n GLY 107 N 1.09 0.64 3.74 -0.13 0.00 -0.92 -4.72 105.19 104.89 1pym n GLY 107 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1pym n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pym s VAL 108 N -2.27 3.51 -0.19 1.61 1.01 -0.97 -4.79 120.40 118.31 1pym s VAL 108 Ca 0.00 1.35 0.16 0.00 0.00 0.00 0.00 61.98 63.49 1pym s VAL 108 Cb 0.00 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.62 1pym s VAL 108 CO 0.00 0.25 1.47 0.00 0.00 0.00 0.00 175.10 176.82 1pym h ALA 109 N 4.77 0.72 -1.72 5.51 0.00 -1.54 -3.39 119.26 123.60 1pym h ALA 109 Ca -0.45 -0.39 0.26 0.00 0.00 0.00 0.00 54.91 54.32 1pym h ALA 109 Cb 1.21 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 1pym h ALA 109 CO 0.72 0.54 0.72 0.20 0.00 0.00 0.00 179.25 181.42 1pym s GLY 110 N -4.42 -0.35 -0.02 0.00 0.00 -1.04 -2.00 107.32 99.49 1pym s GLY 110 Ca 0.04 0.81 0.04 0.00 0.00 0.00 0.00 44.72 45.61 1pym s GLY 110 CO 0.73 0.21 -0.13 0.00 0.00 0.00 0.00 173.10 173.92 1pym s ALA 111 N -2.68 1.07 -0.21 3.20 0.00 0.08 -1.26 121.76 121.97 1pym s ALA 111 Ca 0.12 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.48 1pym s ALA 111 Cb 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1pym s ALA 111 CO -0.03 0.24 0.06 0.00 0.00 0.00 0.00 175.76 176.03 1pym s LEU 113 N 0.85 2.04 0.06 0.00 1.02 -0.03 -0.92 118.68 121.69 1pym s LEU 113 Ca 0.03 -0.48 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 1pym s LEU 113 Cb -0.14 -1.29 -0.04 0.00 0.02 0.00 0.00 46.19 44.74 1pym s LEU 113 CO 0.02 0.23 0.25 -1.83 0.02 0.00 0.00 176.35 175.04 1pym s GLU 114 N -0.14 3.50 -1.51 1.70 -1.05 0.15 -0.14 118.70 121.21 1pym s GLU 114 Ca -0.03 -0.27 -0.09 0.00 -0.15 0.00 0.00 54.97 54.43 1pym s GLU 114 Cb -0.13 -3.02 -0.04 0.00 -0.44 0.00 0.00 34.13 30.50 1pym s GLU 114 CO 0.03 0.60 2.84 -0.40 0.95 0.00 0.00 175.26 179.28 1pym n ASP 115 N 0.52 8.51 -0.30 0.83 5.75 -0.54 -4.40 116.55 126.92 1pym n ASP 115 Ca -0.07 -2.72 0.00 0.00 -0.01 0.00 0.00 54.79 52.00 1pym n ASP 115 Cb 0.52 -1.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.10 1pym n ASP 115 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1pym n LYS 116 N 3.07 2.91 -4.15 0.11 5.02 -1.26 -1.17 118.16 122.69 1pym n LYS 116 Ca 0.74 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.75 1pym n LYS 116 Cb 0.25 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.19 1pym n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pym s LEU 117 N 0.00 3.45 -0.09 -0.35 1.43 -1.24 -4.21 118.68 117.67 1pym s LEU 117 Ca 0.00 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 1pym s LEU 117 Cb 0.00 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1pym s LEU 117 CO 0.00 0.13 0.44 0.12 0.23 0.00 0.00 176.35 177.27 1pym s PHE 118 N -1.53 3.57 0.25 0.29 2.19 -1.26 -2.40 117.98 119.10 1pym s PHE 118 Ca 0.27 0.89 -0.17 0.00 0.33 0.00 0.00 56.93 58.25 1pym s PHE 118 Cb -0.11 -2.47 -0.08 0.00 -1.31 0.00 0.00 43.02 39.06 1pym s PHE 118 CO 0.19 0.30 0.70 -1.25 1.83 0.00 0.00 175.22 176.99 1pym s PRO 119 N 0.16 4.11 0.83 10.12 0.04 -1.26 -5.04 135.00 143.96 1pym s PRO 119 Ca 0.24 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 61.90 1pym s PRO 119 Cb -0.15 -2.70 0.12 0.00 0.04 0.00 0.00 34.50 31.81 1pym s PRO 119 CO 0.10 0.31 1.17 -1.59 0.04 0.00 0.00 177.00 177.04 1pym s LYS 120 N -2.40 1.50 -0.06 4.56 0.00 -1.01 -5.00 119.74 117.35 1pym s LYS 120 Ca 0.47 -0.29 0.03 0.00 0.00 0.00 0.00 55.97 56.17 1pym s LYS 120 Cb -0.14 -2.00 0.01 0.00 0.00 0.00 0.00 37.83 35.70 1pym s LYS 120 CO 0.19 -1.80 -0.12 0.99 0.00 0.00 0.00 175.35 174.62 1pym s THR 121 N -3.57 1.09 0.09 3.79 2.01 -1.26 -4.27 115.64 113.52 1pym s THR 121 Ca 0.66 -0.48 -0.36 0.00 0.31 0.00 0.00 61.69 61.83 1pym s THR 121 Cb -0.08 -0.99 -0.16 0.00 0.01 0.00 0.00 72.50 71.29 1pym s THR 121 CO 0.49 0.34 1.44 -3.20 -0.69 0.00 0.00 174.62 173.00 1pym n ASN 122 N 3.65 2.14 0.23 3.53 2.85 -1.25 -4.85 115.26 121.57 1pym n ASN 122 Ca -0.22 1.10 0.18 0.00 -0.11 0.00 0.00 54.58 55.53 1pym n ASN 122 Cb 0.52 -1.26 0.87 0.00 1.24 0.00 0.00 39.78 41.15 1pym n ASN 122 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1pym h SER 123 N 5.18 0.00 0.71 1.20 0.02 -1.99 -3.07 113.55 115.59 1pym h SER 123 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1pym h SER 123 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1pym h SER 123 CO 0.82 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.69 1pym n LEU 124 N -3.60 0.00 -4.81 5.07 4.77 -1.26 -4.81 117.00 112.36 1pym n LEU 124 Ca 0.01 0.43 -0.34 0.00 -0.03 0.00 0.00 56.01 56.08 1pym n LEU 124 Cb 0.31 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1pym n LEU 124 CO 0.25 -0.08 0.66 -1.00 -1.33 0.00 0.00 177.39 175.89 1pym s HIS 125 N -2.87 3.38 0.19 -1.77 3.76 -1.16 -5.07 115.29 111.76 1pym s HIS 125 Ca 0.15 1.65 0.08 0.00 -0.15 0.00 0.00 55.06 56.79 1pym s HIS 125 Cb 0.16 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 1pym s HIS 125 CO 0.41 -0.11 0.01 -0.51 -0.85 0.00 0.00 174.74 173.70 1pym s ASP 126 N -1.99 4.80 0.00 1.40 1.01 -1.26 -4.57 116.67 116.06 1pym s ASP 126 Ca 0.59 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.43 1pym s ASP 126 Cb -0.13 -1.02 0.00 0.00 1.01 0.00 0.00 42.92 42.78 1pym s ASP 126 CO 0.17 0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.23 1pym n GLY 127 N -0.30 2.06 3.80 0.21 0.00 -1.26 -4.97 105.19 104.73 1pym n GLY 127 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1pym n GLY 127 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pym s ARG 128 N 0.00 3.30 0.25 1.61 3.52 -1.26 -5.00 118.95 121.36 1pym s ARG 128 Ca 0.00 1.19 -0.30 0.00 -0.13 0.00 0.00 55.73 56.49 1pym s ARG 128 Cb 0.00 -2.03 -0.09 0.00 -1.56 0.00 0.00 34.95 31.27 1pym s ARG 128 CO 0.00 -0.83 1.17 0.00 -0.81 0.00 0.00 175.30 174.83 1pym s ALA 129 N -2.50 3.44 -0.42 6.12 0.00 -1.26 -4.96 121.76 122.18 1pym s ALA 129 Ca 0.63 0.98 0.10 0.00 0.00 0.00 0.00 51.96 53.67 1pym s ALA 129 Cb -0.16 -3.39 0.35 0.00 0.00 0.00 0.00 23.12 19.92 1pym s ALA 129 CO 0.38 -0.32 0.78 0.94 0.00 0.00 0.00 175.76 177.54 1pym n GLN 130 N 1.65 1.51 -1.78 0.00 -0.06 -1.26 -4.85 117.38 112.60 1pym n GLN 130 Ca 0.01 -3.74 -0.41 0.00 -2.00 0.00 0.00 57.00 50.87 1pym n GLN 130 Cb 0.44 -1.84 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 1pym n GLN 130 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1pym n PRO 131 N 0.16 2.62 -3.95 3.69 -0.04 -1.26 -4.77 135.00 131.45 1pym n PRO 131 Ca 0.26 0.92 -0.32 0.00 -0.04 0.00 0.00 63.50 64.32 1pym n PRO 131 Cb 0.59 -2.67 -0.05 0.00 -0.04 0.00 0.00 33.50 31.33 1pym n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pym s LEU 132 N -2.20 4.24 0.54 1.53 1.43 -1.26 -3.67 118.68 119.29 1pym s LEU 132 Ca 0.55 0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.69 1pym s LEU 132 Cb -0.47 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 1pym s LEU 132 CO 0.63 0.21 1.19 0.00 0.23 0.00 0.00 176.35 178.61 1pym s ALA 133 N -1.40 2.73 0.40 4.21 0.00 -0.31 -4.88 121.76 122.51 1pym s ALA 133 Ca 0.30 0.97 -0.27 0.00 0.00 0.00 0.00 51.96 52.96 1pym s ALA 133 Cb -0.13 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 1pym s ALA 133 CO 0.23 -0.93 1.47 -3.47 0.00 0.00 0.00 175.76 173.06 1pym n ASP 134 N -1.15 3.65 0.07 0.00 2.03 -1.26 -4.84 116.55 115.05 1pym n ASP 134 Ca 0.11 1.19 -0.13 0.00 0.52 0.00 0.00 54.79 56.48 1pym n ASP 134 Cb 0.49 -1.62 -0.08 0.00 -0.72 0.00 0.00 41.12 39.20 1pym n ASP 134 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1pym h ILE 135 N 2.72 0.97 -0.79 5.18 2.04 -1.99 0.42 117.51 126.07 1pym h ILE 135 Ca -0.51 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 1pym h ILE 135 Cb 1.25 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1pym h ILE 135 CO 0.63 0.04 0.30 -0.08 0.00 0.00 0.00 178.15 179.05 1pym h GLU 136 N -0.19 1.19 0.52 2.37 4.81 -1.99 -0.89 114.58 120.40 1pym h GLU 136 Ca -0.01 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1pym h GLU 136 Cb 0.15 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1pym h GLU 136 CO 0.02 0.97 -0.26 1.49 -0.73 0.00 0.00 179.01 180.49 1pym h GLU 137 N 1.15 -0.69 -1.01 1.92 4.81 -1.91 -1.81 114.58 117.05 1pym h GLU 137 Ca 0.26 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1pym h GLU 137 Cb 0.23 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1pym h GLU 137 CO -0.02 -0.46 0.66 0.35 -0.73 0.00 0.00 179.01 178.82 1pym h PHE 138 N -0.72 1.25 -0.76 0.92 3.57 -0.69 -1.45 116.94 119.06 1pym h PHE 138 Ca -0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1pym h PHE 138 Cb 0.56 -0.42 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1pym h PHE 138 CO -0.05 0.76 0.41 0.00 -2.23 0.00 0.00 178.31 177.20 1pym h ALA 139 N 1.39 1.28 -0.10 2.41 0.00 -0.91 -0.16 119.26 123.17 1pym h ALA 139 Ca 0.38 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1pym h ALA 139 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1pym h ALA 139 CO -0.10 0.58 -0.42 -0.07 0.00 0.00 0.00 179.25 179.24 1pym h LEU 140 N 1.07 0.23 -0.40 0.00 3.38 -0.80 -0.08 115.31 118.71 1pym h LEU 140 Ca 0.27 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1pym h LEU 140 Cb 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1pym h LEU 140 CO -0.04 0.63 -0.09 0.50 0.09 0.00 0.00 178.44 179.53 1pym h LYS 141 N 0.18 0.76 -0.24 1.13 3.64 -0.26 0.60 116.57 122.37 1pym h LYS 141 Ca 0.02 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1pym h LYS 141 Cb 0.82 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1pym h LYS 141 CO 0.06 0.89 0.14 0.82 -2.27 0.00 0.00 179.45 179.09 1pym h ILE 142 N 0.57 1.03 -0.65 2.00 1.08 -0.60 -2.51 117.51 118.43 1pym h ILE 142 Ca 0.10 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1pym h ILE 142 Cb 0.60 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1pym h ILE 142 CO 0.04 0.05 0.35 0.50 -0.69 0.00 0.00 178.15 178.40 1pym h LYS 143 N 0.29 0.91 -0.92 2.37 3.64 -0.79 -2.28 116.57 119.80 1pym h LYS 143 Ca 0.09 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1pym h LYS 143 Cb -0.01 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.58 1pym h LYS 143 CO -0.04 0.69 0.60 0.00 -2.27 0.00 0.00 179.45 178.43 1pym h ALA 144 N 1.17 1.45 -0.02 5.00 0.00 -0.70 0.70 119.26 126.87 1pym h ALA 144 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pym h ALA 144 Cb 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1pym h ALA 144 CO -0.04 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1pym h LYS 146 N -0.25 -0.22 -0.94 0.00 1.79 -1.09 -2.86 116.57 113.00 1pym h LYS 146 Ca 0.00 0.02 0.20 0.00 -2.18 0.00 0.00 60.65 58.69 1pym h LYS 146 Cb 0.29 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 1pym h LYS 146 CO 0.00 -0.08 0.60 -0.44 -1.08 0.00 0.00 179.45 178.46 1pym h ASP 147 N -0.32 0.53 0.24 0.86 5.19 0.46 -1.78 116.42 121.60 1pym h ASP 147 Ca -0.02 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1pym h ASP 147 Cb 0.25 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1pym h ASP 147 CO 0.04 0.21 -0.09 -1.20 -3.12 0.00 0.00 179.24 175.08 1pym n SER 148 N -4.58 0.65 -4.76 6.45 7.64 0.07 -4.96 113.62 114.12 1pym n SER 148 Ca 0.20 -0.83 -0.35 0.00 1.01 0.00 0.00 58.87 58.91 1pym n SER 148 Cb 0.65 -0.03 0.03 0.00 -1.01 0.00 0.00 64.21 63.85 1pym n SER 148 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pym s GLN 149 N -2.34 3.04 -0.22 1.43 -0.21 -0.67 -4.91 119.66 115.78 1pym s GLN 149 Ca 0.32 1.63 -0.16 0.00 0.02 0.00 0.00 55.36 57.18 1pym s GLN 149 Cb 0.20 -1.96 -0.09 0.00 1.00 0.00 0.00 33.01 32.16 1pym s GLN 149 CO 0.44 -1.10 -0.33 0.25 -2.12 0.00 0.00 175.29 172.43 1pym n THR 150 N -1.72 1.51 -2.65 -0.19 -2.24 -1.26 -4.86 114.28 102.87 1pym n THR 150 Ca 0.12 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 1pym n THR 150 Cb 0.51 -2.14 -0.02 0.00 -2.10 0.00 0.00 70.33 66.58 1pym n THR 150 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pym s ASP 151 N -6.62 6.84 0.41 3.42 -1.08 -1.26 -4.93 116.67 113.45 1pym s ASP 151 Ca -0.33 0.87 0.28 0.00 -0.52 0.00 0.00 52.55 52.85 1pym s ASP 151 Cb 0.09 -2.54 1.46 0.00 -1.46 0.00 0.00 42.92 40.47 1pym s ASP 151 CO 0.45 -0.96 1.86 -0.65 0.52 0.00 0.00 175.17 176.39 1pym h PRO 152 N 8.39 0.00 -0.00 4.34 0.11 -1.98 -2.09 132.00 140.77 1pym h PRO 152 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1pym h PRO 152 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1pym h PRO 152 CO 1.05 0.00 -0.34 -0.25 -0.21 0.00 0.00 178.00 178.25 1pym n ASP 153 N -2.51 0.47 -4.78 -2.05 8.00 -1.26 -4.89 116.55 109.53 1pym n ASP 153 Ca -0.01 -0.23 -0.41 0.00 0.71 0.00 0.00 54.79 54.85 1pym n ASP 153 Cb 0.10 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1pym n ASP 153 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1pym s PHE 154 N -2.88 2.59 -0.05 1.24 5.36 -0.79 -4.34 117.98 119.11 1pym s PHE 154 Ca 0.15 1.20 -0.00 0.00 -0.96 0.00 0.00 56.93 57.32 1pym s PHE 154 Cb 0.18 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.84 1pym s PHE 154 CO 0.62 -2.91 -0.01 0.00 -1.46 0.00 0.00 175.22 171.46 1pym s ILE 156 N -0.95 1.84 -0.18 0.00 -1.09 -1.26 -0.74 121.20 118.82 1pym s ILE 156 Ca 0.15 -1.01 -0.06 0.00 -2.23 0.00 0.00 60.65 57.50 1pym s ILE 156 Cb -0.11 -1.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.93 1pym s ILE 156 CO 0.05 0.31 0.02 -0.69 -1.23 0.00 0.00 174.94 173.40 1pym s VAL 157 N 1.33 4.29 -0.35 2.92 1.01 -0.32 0.04 120.40 129.33 1pym s VAL 157 Ca 0.01 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1pym s VAL 157 Cb -0.15 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1pym s VAL 157 CO -0.10 0.45 0.32 0.00 0.00 0.00 0.00 175.10 175.78 1pym s ALA 158 N 0.59 3.50 -0.28 5.51 0.00 -0.86 -0.85 121.76 129.38 1pym s ALA 158 Ca 0.00 -1.30 -0.19 0.00 0.00 0.00 0.00 51.96 50.48 1pym s ALA 158 Cb -0.14 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1pym s ALA 158 CO 0.02 -1.07 0.55 0.50 0.00 0.00 0.00 175.76 175.76 1pym s ARG 159 N 1.91 4.01 -0.24 0.00 3.52 0.80 -0.59 118.95 128.35 1pym s ARG 159 Ca 0.10 0.31 -0.20 0.00 -0.13 0.00 0.00 55.73 55.80 1pym s ARG 159 Cb -0.17 -3.68 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 1pym s ARG 159 CO 0.11 -0.42 0.61 0.08 -0.81 0.00 0.00 175.30 174.87 1pym s VAL 160 N 2.40 5.00 -1.83 7.11 1.01 -0.10 -1.46 120.40 132.52 1pym s VAL 160 Ca 0.22 1.11 0.20 0.00 0.00 0.00 0.00 61.98 63.51 1pym s VAL 160 Cb -0.15 -3.92 0.54 0.00 0.00 0.00 0.00 36.38 32.84 1pym s VAL 160 CO 0.10 0.05 1.45 -0.62 0.00 0.00 0.00 175.10 176.08 1pym n GLU 161 N 5.56 2.68 -0.15 2.72 -0.58 -1.26 -3.02 120.64 126.59 1pym n GLU 161 Ca -0.01 -2.47 -0.04 0.00 -0.42 0.00 0.00 57.16 54.22 1pym n GLU 161 Cb 0.49 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.88 1pym n GLU 161 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pym h ALA 162 N 3.85 0.14 -0.44 0.62 0.00 -1.93 0.08 119.26 121.59 1pym h ALA 162 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1pym h ALA 162 Cb 0.93 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1pym h ALA 162 CO 0.00 -0.55 0.11 0.74 0.00 0.00 0.00 179.25 179.55 1pym h PHE 163 N -0.11 0.72 -0.86 0.00 0.04 -1.80 0.25 116.94 115.19 1pym h PHE 163 Ca 0.22 -0.08 0.11 0.00 2.80 0.00 0.00 57.97 61.02 1pym h PHE 163 Cb 0.45 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 1pym h PHE 163 CO -0.48 0.67 0.56 0.82 -0.60 0.00 0.00 178.31 179.28 1pym h ILE 164 N 0.57 0.91 -0.27 -0.55 1.08 -1.64 -0.01 117.51 117.59 1pym h ILE 164 Ca 0.14 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1pym h ILE 164 Cb 0.30 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 1pym h ILE 164 CO -0.00 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 177.60 1pym n ALA 165 N -2.43 2.48 -0.61 1.87 0.00 -0.03 -4.89 120.51 116.90 1pym n ALA 165 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1pym n ALA 165 Cb 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1pym n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pym n GLY 166 N 1.11 0.66 3.98 0.00 0.00 -0.02 -4.95 105.19 105.97 1pym n GLY 166 Ca 0.14 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1pym n GLY 166 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pym s TRP 167 N -2.00 2.03 0.48 1.61 0.52 0.83 -5.00 118.94 117.42 1pym s TRP 167 Ca 0.00 -0.15 0.07 0.00 0.02 0.00 0.00 56.10 56.04 1pym s TRP 167 Cb 0.00 -2.95 0.07 0.00 -1.15 0.00 0.00 33.47 29.44 1pym s TRP 167 CO 0.00 -1.46 0.57 0.41 0.02 0.00 0.00 176.95 176.49 1pym n GLY 168 N -2.71 2.22 0.34 0.98 0.00 -1.26 -4.18 105.19 100.59 1pym n GLY 168 Ca 0.13 -2.23 0.08 0.00 0.00 0.00 0.00 46.02 43.99 1pym n GLY 168 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pym h LEU 169 N 0.00 0.79 -0.20 0.99 5.85 -1.97 -1.54 115.31 119.23 1pym h LEU 169 Ca -0.25 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1pym h LEU 169 Cb 1.05 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 1pym h LEU 169 CO 0.36 0.38 -0.32 -0.78 -0.34 0.00 0.00 178.44 177.75 1pym h ASP 170 N 0.85 -1.02 0.12 1.25 3.58 -1.99 0.10 116.42 119.31 1pym h ASP 170 Ca 0.50 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 58.10 1pym h ASP 170 Cb 0.59 0.45 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1pym h ASP 170 CO -0.30 -0.35 -0.06 -0.33 -2.88 0.00 0.00 179.24 175.32 1pym h GLU 171 N -0.36 -0.16 -0.72 0.28 4.39 -1.70 -1.96 114.58 114.36 1pym h GLU 171 Ca 0.11 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.98 1pym h GLU 171 Cb 0.54 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.12 1pym h GLU 171 CO -0.40 -0.01 0.14 0.00 -1.16 0.00 0.00 179.01 177.58 1pym h ALA 172 N 0.59 0.88 -0.38 3.43 0.00 -0.99 -0.75 119.26 122.04 1pym h ALA 172 Ca -0.02 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1pym h ALA 172 Cb 0.22 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1pym h ALA 172 CO 0.03 -0.35 -0.40 1.25 0.00 0.00 0.00 179.25 179.77 1pym h LEU 173 N 0.23 1.00 0.37 0.00 5.85 -0.66 -1.27 115.31 120.82 1pym h LEU 173 Ca 0.40 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1pym h LEU 173 Cb 0.68 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1pym h LEU 173 CO -0.52 1.27 -0.18 0.11 -0.34 0.00 0.00 178.44 178.78 1pym h LYS 174 N 0.75 -0.47 -0.89 1.25 1.57 -0.73 -0.25 116.57 117.81 1pym h LYS 174 Ca 0.06 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1pym h LYS 174 Cb 1.00 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 1pym h LYS 174 CO 0.10 -0.28 0.47 0.07 -0.57 0.00 0.00 179.45 179.23 1pym h ARG 175 N -0.54 1.25 -0.64 3.15 -0.00 -1.17 -0.74 114.38 115.69 1pym h ARG 175 Ca -0.05 -0.16 -0.02 0.00 -0.00 0.00 0.00 59.98 59.75 1pym h ARG 175 Cb 0.41 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.97 30.11 1pym h ARG 175 CO 0.08 0.92 0.32 0.00 -0.00 0.00 0.00 179.97 181.30 1pym h ALA 176 N 1.26 0.82 -0.59 0.08 0.00 -1.11 -0.48 119.26 119.24 1pym h ALA 176 Ca 0.31 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1pym h ALA 176 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1pym h ALA 176 CO -0.05 0.36 0.19 0.93 0.00 0.00 0.00 179.25 180.69 1pym h GLU 177 N 0.87 0.91 -0.08 0.00 5.08 -0.68 -0.87 114.58 119.81 1pym h GLU 177 Ca 0.22 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1pym h GLU 177 Cb 0.09 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1pym h GLU 177 CO -0.03 0.81 0.03 0.00 -1.00 0.00 0.00 179.01 178.82 1pym h ALA 178 N 1.06 0.10 -0.70 3.43 0.00 -0.54 0.10 119.26 122.71 1pym h ALA 178 Ca 0.19 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1pym h ALA 178 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pym h ALA 178 CO -0.01 -0.31 0.21 1.88 0.00 0.00 0.00 179.25 181.02 1pym h TYR 179 N -0.04 1.13 -0.04 0.00 0.05 -1.03 -0.45 116.97 116.59 1pym h TYR 179 Ca 0.03 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 1pym h TYR 179 Cb 0.18 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 1pym h TYR 179 CO -0.01 0.91 0.02 -0.09 -1.05 0.00 0.00 178.16 177.93 1pym h ARG 180 N 1.03 0.07 -0.14 4.88 9.65 -1.07 -2.00 114.38 126.79 1pym h ARG 180 Ca 0.22 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.13 1pym h ARG 180 Cb 0.32 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1pym h ARG 180 CO -0.00 0.19 0.12 -0.91 2.80 0.00 0.00 179.97 182.17 1pym h ASN 181 N -0.07 0.00 0.14 -3.80 2.35 -0.62 -1.20 115.58 112.38 1pym h ASN 181 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1pym h ASN 181 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1pym h ASN 181 CO -0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.77 1pym n ALA 182 N -2.45 2.65 0.00 -0.83 0.00 -0.21 -4.90 120.51 114.76 1pym n ALA 182 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1pym n ALA 182 Cb 0.24 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1pym n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pym n GLY 183 N 1.09 0.92 3.73 0.00 0.00 -0.45 -3.75 105.19 106.72 1pym n GLY 183 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1pym n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pym n ALA 184 N -1.40 1.61 0.40 4.61 0.00 -0.79 -4.89 120.51 120.04 1pym n ALA 184 Ca 0.00 0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1pym n ALA 184 Cb 0.00 -2.32 0.42 0.00 0.00 0.00 0.00 19.45 17.55 1pym n ALA 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pym h ASP 185 N 2.24 0.00 -4.70 0.00 3.32 -0.74 -3.45 116.42 113.09 1pym h ASP 185 Ca -0.49 0.00 0.21 0.00 0.02 0.00 0.00 57.03 56.77 1pym h ASP 185 Cb 1.28 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.68 1pym h ASP 185 CO 0.61 0.00 0.68 0.00 -1.72 0.00 0.00 179.24 178.80 1pym s ALA 186 N -3.29 -1.97 -0.14 3.45 0.00 -1.25 -4.57 121.76 114.00 1pym s ALA 186 Ca 0.06 1.13 -0.00 0.00 0.00 0.00 0.00 51.96 53.15 1pym s ALA 186 Cb 0.09 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 1pym s ALA 186 CO 0.56 -0.74 -0.13 0.42 0.00 0.00 0.00 175.76 175.88 1pym s ILE 187 N -2.74 3.03 0.18 0.00 -1.09 -0.55 -2.02 121.20 118.02 1pym s ILE 187 Ca 0.09 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 1pym s ILE 187 Cb -0.00 -2.28 0.03 0.00 -1.58 0.00 0.00 42.46 38.63 1pym s ILE 187 CO -0.05 0.52 0.25 -0.11 -1.23 0.00 0.00 174.94 174.32 1pym n LEU 188 N 3.63 0.00 -3.56 2.97 0.00 0.25 -0.63 117.00 119.66 1pym n LEU 188 Ca -0.18 -0.68 -0.07 0.00 0.00 0.00 0.00 56.01 55.07 1pym n LEU 188 Cb 0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 43.42 43.77 1pym n LEU 188 CO 0.30 -0.59 0.84 -2.28 0.00 0.00 0.00 177.39 175.67 1pym s HIS 190 N -0.29 -0.26 -0.20 1.96 2.46 -1.17 -0.93 115.29 116.86 1pym s HIS 190 Ca 0.18 0.27 -0.27 0.00 0.47 0.00 0.00 55.06 55.70 1pym s HIS 190 Cb -0.01 0.51 0.10 0.00 -0.13 0.00 0.00 32.58 33.04 1pym s HIS 190 CO 0.12 -0.35 0.87 0.45 -2.47 0.00 0.00 174.74 173.36 1pym s SER 191 N -1.93 -0.56 -0.05 9.88 0.15 -1.26 -4.40 113.70 115.53 1pym s SER 191 Ca 0.05 0.89 0.09 0.00 0.70 0.00 0.00 55.95 57.68 1pym s SER 191 Cb -0.01 0.84 0.23 0.00 -1.71 0.00 0.00 66.02 65.37 1pym s SER 191 CO -0.05 -0.32 1.17 2.29 1.20 0.00 0.00 173.24 177.54 1pym n LYS 192 N 1.74 2.68 -2.31 5.44 2.85 -1.26 -4.80 118.16 122.51 1pym n LYS 192 Ca -0.14 -2.06 -0.35 0.00 -1.05 0.00 0.00 58.31 54.71 1pym n LYS 192 Cb 0.56 -1.30 -0.00 0.00 -0.65 0.00 0.00 35.03 33.64 1pym n LYS 192 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1pym s LYS 193 N -1.57 3.43 0.00 -1.58 1.02 -1.26 -4.86 119.74 114.91 1pym s LYS 193 Ca 0.19 1.57 0.14 0.00 0.02 0.00 0.00 55.97 57.90 1pym s LYS 193 Cb 0.14 -2.02 0.84 0.00 -0.52 0.00 0.00 37.83 36.27 1pym s LYS 193 CO 0.07 -0.78 1.37 0.00 -0.92 0.00 0.00 175.35 175.09 1pym n ALA 194 N -1.24 2.34 -2.37 5.17 0.00 -1.26 -3.30 120.51 119.84 1pym n ALA 194 Ca 0.11 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1pym n ALA 194 Cb 0.51 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 1pym n ALA 194 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1pym s ASP 195 N -1.69 1.68 -0.32 0.00 -4.77 -1.26 -4.23 116.67 106.08 1pym s ASP 195 Ca 0.21 -1.39 0.03 0.00 -3.30 0.00 0.00 52.55 48.10 1pym s ASP 195 Cb 0.10 0.08 0.49 0.00 -1.09 0.00 0.00 42.92 42.50 1pym s ASP 195 CO 0.16 -0.69 1.65 -0.81 0.70 0.00 0.00 175.17 176.18 1pym n PRO 196 N -0.56 1.97 -0.16 2.11 -0.04 -1.26 -4.66 135.00 132.40 1pym n PRO 196 Ca -0.01 -2.17 -0.09 0.00 -0.04 0.00 0.00 63.50 61.20 1pym n PRO 196 Cb 0.66 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1pym n PRO 196 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pym h SER 197 N 0.80 0.62 -0.57 3.54 4.64 -1.96 0.91 113.55 121.52 1pym h SER 197 Ca 0.44 -0.16 0.06 0.00 -0.47 0.00 0.00 61.79 61.65 1pym h SER 197 Cb 2.32 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 64.20 1pym h SER 197 CO 0.78 0.62 0.29 0.44 -0.87 0.00 0.00 176.83 178.09 1pym h ASP 198 N 0.59 0.40 0.07 4.97 3.32 -1.98 -0.76 116.42 123.05 1pym h ASP 198 Ca 0.15 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1pym h ASP 198 Cb 0.19 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1pym h ASP 198 CO -0.01 0.27 -0.03 0.40 -1.72 0.00 0.00 179.24 178.14 1pym h ILE 199 N 0.54 1.05 -0.64 0.35 1.08 -1.84 0.17 117.51 118.23 1pym h ILE 199 Ca 0.26 -0.42 0.10 0.00 -0.39 0.00 0.00 64.86 64.41 1pym h ILE 199 Cb 0.18 1.33 -0.08 0.00 -3.07 0.00 0.00 36.82 35.18 1pym h ILE 199 CO -0.19 0.11 0.23 -0.33 -0.69 0.00 0.00 178.15 177.28 1pym h GLU 200 N -0.28 0.39 0.15 2.37 5.08 -0.58 -2.32 114.58 119.38 1pym h GLU 200 Ca -0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pym h GLU 200 Cb 0.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1pym h GLU 200 CO 0.02 0.26 -0.10 0.00 -1.00 0.00 0.00 179.01 178.18 1pym h ALA 201 N 1.45 -0.24 0.00 3.43 0.00 -0.82 -2.07 119.26 121.01 1pym h ALA 201 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pym h ALA 201 Cb 0.43 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pym h ALA 201 CO -0.33 -0.64 0.00 0.34 0.00 0.00 0.00 179.25 178.61 1pym n PHE 202 N -5.22 0.00 0.00 0.00 7.35 0.02 -2.25 117.46 117.37 1pym n PHE 202 Ca -0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 1pym n PHE 202 Cb 0.14 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.92 1pym n PHE 202 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pym n LYS 204 N 0.76 0.00 0.06 -4.13 5.02 -0.78 -0.61 118.16 118.49 1pym n LYS 204 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1pym n LYS 204 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1pym n LYS 204 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pym h ALA 205 N 0.00 0.50 -0.40 7.82 0.00 -1.73 -3.33 119.26 122.12 1pym h ALA 205 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 54.91 54.05 1pym h ALA 205 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1pym h ALA 205 CO 0.00 1.14 0.27 2.35 0.00 0.00 0.00 179.25 183.01 1pym h TRP 206 N 0.00 0.43 -5.97 0.00 -0.00 -1.14 -3.47 115.95 105.80 1pym h TRP 206 Ca -0.06 0.01 -0.42 0.00 -0.00 0.00 0.00 58.89 58.42 1pym h TRP 206 Cb 1.71 -0.15 0.09 0.00 -0.00 0.00 0.00 29.16 30.81 1pym h TRP 206 CO 0.00 0.26 -0.70 0.09 -0.00 0.00 0.00 178.44 178.09 1pym n ASN 207 N -4.48 -5.84 -4.17 2.65 3.02 -1.25 -2.54 115.26 102.65 1pym n ASN 207 Ca 0.04 -0.61 -0.29 0.00 -0.03 0.00 0.00 54.58 53.69 1pym n ASN 207 Cb 0.13 -4.71 -0.07 0.00 -0.61 0.00 0.00 39.78 34.52 1pym n ASN 207 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1pym n ASN 208 N -2.97 0.42 0.24 6.41 5.15 -1.26 -4.86 115.26 118.38 1pym n ASN 208 Ca 0.01 -1.17 0.11 0.00 -0.60 0.00 0.00 54.58 52.93 1pym n ASN 208 Cb 0.55 -2.18 0.55 0.00 -0.53 0.00 0.00 39.78 38.17 1pym n ASN 208 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1pym h GLN 209 N -1.81 0.00 -2.14 1.20 4.20 -1.90 -3.47 115.11 111.19 1pym h GLN 209 Ca -0.65 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.31 1pym h GLN 209 Cb 1.39 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.10 1pym h GLN 209 CO 0.67 0.18 0.71 0.20 -0.67 0.00 0.00 178.83 179.93 1pym s GLY 210 N -4.26 -0.13 0.35 3.46 0.00 -1.26 -5.14 107.32 100.34 1pym s GLY 210 Ca -0.00 0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.51 1pym s GLY 210 CO 0.61 2.36 1.39 -4.14 0.00 0.00 0.00 173.10 173.33 1pym s PRO 211 N -2.36 4.24 -0.06 2.90 0.02 -1.26 -4.92 135.00 133.57 1pym s PRO 211 Ca 0.21 2.38 0.04 0.00 0.02 0.00 0.00 61.00 63.65 1pym s PRO 211 Cb -0.00 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.49 1pym s PRO 211 CO 0.01 -0.35 -0.19 0.08 -0.33 0.00 0.00 177.00 176.22 1pym s VAL 212 N -1.06 1.58 0.01 3.83 1.01 -1.26 -1.49 120.40 123.02 1pym s VAL 212 Ca 0.51 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1pym s VAL 212 Cb -0.43 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1pym s VAL 212 CO 0.57 0.45 -0.02 -0.69 0.00 0.00 0.00 175.10 175.41 1pym s VAL 213 N 0.14 3.98 0.07 2.92 1.01 0.20 -0.33 120.40 128.38 1pym s VAL 213 Ca -0.07 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1pym s VAL 213 Cb -0.13 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1pym s VAL 213 CO 0.04 0.36 -0.05 0.27 0.00 0.00 0.00 175.10 175.71 1pym s ILE 214 N -1.08 0.47 -0.33 2.22 -4.36 -1.26 -4.24 121.20 112.62 1pym s ILE 214 Ca 0.19 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.89 1pym s ILE 214 Cb -0.11 -1.37 0.10 0.00 1.25 0.00 0.00 42.46 42.33 1pym s ILE 214 CO 0.10 -0.82 0.09 -0.69 0.24 0.00 0.00 174.94 173.86 1pym s VAL 215 N -3.25 1.31 -0.12 8.37 1.01 -1.26 -1.25 120.40 125.21 1pym s VAL 215 Ca 0.05 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.30 1pym s VAL 215 Cb 0.03 -1.98 0.16 0.00 0.00 0.00 0.00 36.38 34.59 1pym s VAL 215 CO -0.05 -0.67 1.34 -0.81 0.00 0.00 0.00 175.10 174.91 1pym n PRO 216 N 4.60 1.33 -0.25 2.72 -0.04 -1.26 -4.59 135.00 137.51 1pym n PRO 216 Ca 0.00 -0.78 0.02 0.00 -0.04 0.00 0.00 63.50 62.71 1pym n PRO 216 Cb 0.42 -1.30 0.15 0.00 -0.04 0.00 0.00 33.50 32.72 1pym n PRO 216 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pym h THR 217 N 0.36 0.81 0.05 0.52 2.02 -1.91 -1.96 112.91 112.79 1pym h THR 217 Ca 0.16 -0.20 -0.28 0.00 0.77 0.00 0.00 66.41 66.86 1pym h THR 217 Cb 1.41 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1pym h THR 217 CO 0.30 0.11 -1.51 0.11 0.37 0.00 0.00 175.52 174.89 1pym h LYS 218 N 0.58 0.10 -1.16 6.66 1.79 -1.83 -3.37 116.57 119.33 1pym h LYS 218 Ca 0.37 -0.17 -0.63 0.00 -2.18 0.00 0.00 60.65 58.04 1pym h LYS 218 Cb 0.43 0.06 -0.36 0.00 -1.58 0.00 0.00 32.23 30.78 1pym h LYS 218 CO -0.30 0.86 0.00 2.48 -1.08 0.00 0.00 179.45 181.41 1pym n TYR 219 N -3.28 3.06 0.33 -1.35 4.11 -1.16 -4.18 117.16 114.69 1pym n TYR 219 Ca -0.14 -2.65 0.06 0.00 -0.00 0.00 0.00 57.90 55.17 1pym n TYR 219 Cb 1.02 -0.76 0.25 0.00 -0.00 0.00 0.00 39.34 39.85 1pym n TYR 219 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.86 179.34 1pym n TYR 220 N -0.70 0.11 0.65 -3.48 0.18 -0.75 -2.12 117.16 111.04 1pym n TYR 220 Ca 0.50 0.05 0.13 0.00 1.88 0.00 0.00 57.90 60.46 1pym n TYR 220 Cb 0.71 -0.58 0.40 0.00 -0.38 0.00 0.00 39.34 39.49 1pym n TYR 220 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1pym n LYS 221 N -1.60 0.25 -1.94 -3.48 5.02 -1.26 -4.81 118.16 110.33 1pym n LYS 221 Ca 0.02 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.08 1pym n LYS 221 Cb 0.12 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.33 1pym n LYS 221 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1pym s THR 222 N -3.10 2.61 0.29 -0.18 2.01 -0.90 -4.94 115.64 111.43 1pym s THR 222 Ca 0.10 0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.26 1pym s THR 222 Cb 0.13 -3.29 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 1pym s THR 222 CO 0.60 0.04 1.43 -2.84 -0.69 0.00 0.00 174.62 173.16 1pym s PRO 223 N 0.96 4.25 0.46 4.92 0.02 -1.26 -4.90 135.00 139.44 1pym s PRO 223 Ca 0.69 2.35 0.11 0.00 0.02 0.00 0.00 61.00 64.16 1pym s PRO 223 Cb -0.44 -3.07 1.03 0.00 0.02 0.00 0.00 34.50 32.04 1pym s PRO 223 CO 0.33 -0.40 2.09 1.15 -0.33 0.00 0.00 177.00 179.84 1pym h THR 224 N 3.32 1.06 0.00 0.99 2.02 -1.95 -1.15 112.91 117.21 1pym h THR 224 Ca -0.47 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1pym h THR 224 Cb 1.22 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1pym h THR 224 CO 0.73 0.06 0.00 0.44 0.37 0.00 0.00 175.52 177.12 1pym h ASP 225 N 0.31 0.00 -0.15 4.18 3.32 -1.99 0.95 116.42 123.03 1pym h ASP 225 Ca 0.08 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.95 1pym h ASP 225 Cb -0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1pym h ASP 225 CO -0.02 0.00 -0.57 -0.74 -1.72 0.00 0.00 179.24 176.19 1pym h HIS 226 N 0.00 0.95 -0.66 4.55 2.76 -1.58 0.13 115.15 121.30 1pym h HIS 226 Ca 0.00 -0.35 -0.05 0.00 -2.20 0.00 0.00 60.37 57.78 1pym h HIS 226 Cb 0.28 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1pym h HIS 226 CO 0.00 1.14 0.23 0.74 -1.30 0.00 0.00 177.93 178.75 1pym h PHE 227 N 0.57 1.03 -0.54 5.26 0.04 -0.91 -1.69 116.94 120.69 1pym h PHE 227 Ca 0.01 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 1pym h PHE 227 Cb 1.16 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 1pym h PHE 227 CO 0.06 0.82 0.33 0.00 -0.60 0.00 0.00 178.31 178.92 1pym h ARG 228 N 0.94 0.73 -1.76 1.51 3.08 -1.09 -2.41 114.38 115.40 1pym h ARG 228 Ca 0.22 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1pym h ARG 228 Cb 0.25 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1pym h ARG 228 CO -0.01 0.53 0.00 -0.25 -1.07 0.00 0.00 179.97 179.17 1pym n ASP 229 N -4.66 0.00 -1.01 7.04 8.00 0.42 -4.47 116.55 121.87 1pym n ASP 229 Ca 0.03 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.47 1pym n ASP 229 Cb 0.05 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 1pym n ASP 229 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pym n GLY 231 N 0.91 0.55 3.75 0.44 0.00 -0.93 -5.09 105.19 104.82 1pym n GLY 231 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1pym n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pym s VAL 232 N 0.00 3.53 -1.74 1.61 1.01 -1.06 -4.72 120.40 119.02 1pym s VAL 232 Ca 0.02 1.44 0.29 0.00 0.00 0.00 0.00 61.98 63.72 1pym s VAL 232 Cb 0.03 -3.92 0.47 0.00 0.00 0.00 0.00 36.38 32.96 1pym s VAL 232 CO -0.01 0.30 1.85 -0.24 0.00 0.00 0.00 175.10 177.00 1pym n SER 233 N 1.67 0.57 -3.70 3.32 2.88 0.55 -4.48 113.62 114.43 1pym n SER 233 Ca 0.01 -0.70 -0.14 0.00 -1.33 0.00 0.00 58.87 56.71 1pym n SER 233 Cb 0.45 -0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 63.77 1pym n SER 233 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1pym s VAL 235 N -2.41 0.00 -0.22 2.46 1.01 0.90 -0.73 120.40 121.41 1pym s VAL 235 Ca 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1pym s VAL 235 Cb 0.20 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1pym s VAL 235 CO 0.46 -0.01 -0.06 -0.63 0.00 0.00 0.00 175.10 174.86 1pym s ILE 236 N 0.14 3.08 -0.64 2.22 1.01 -0.38 -1.71 121.20 124.93 1pym s ILE 236 Ca -0.01 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 59.71 1pym s ILE 236 Cb -0.03 -2.44 0.06 0.00 0.01 0.00 0.00 42.46 40.05 1pym s ILE 236 CO 0.01 0.37 1.01 0.26 0.00 0.00 0.00 174.94 176.59 1pym s TRP 237 N 1.42 2.64 0.32 3.97 0.23 -0.13 -4.16 118.94 123.23 1pym s TRP 237 Ca 0.04 -0.31 0.13 0.00 -2.03 0.00 0.00 56.10 53.94 1pym s TRP 237 Cb -0.15 -4.29 0.63 0.00 0.03 0.00 0.00 33.47 29.70 1pym s TRP 237 CO -0.05 -1.63 1.76 0.00 0.96 0.00 0.00 176.95 177.99 1pym h ALA 238 N 9.57 1.21 0.00 0.98 0.00 -1.97 0.15 119.26 129.20 1pym h ALA 238 Ca -0.28 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1pym h ALA 238 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1pym h ALA 238 CO 1.17 0.55 -0.04 0.27 0.00 0.00 0.00 179.25 181.19 1pym n ASN 239 N -3.93 -0.15 0.16 0.00 0.23 -1.26 -4.71 115.26 105.61 1pym n ASN 239 Ca -0.01 -1.03 0.05 0.00 -0.53 0.00 0.00 54.58 53.05 1pym n ASN 239 Cb 0.47 0.05 0.11 0.00 -2.08 0.00 0.00 39.78 38.33 1pym n ASN 239 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1pym h HIS 240 N 0.00 0.00 -0.05 -2.53 -0.00 -1.92 -1.27 115.15 109.39 1pym h HIS 240 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.08 1pym h HIS 240 Cb 0.95 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1pym h HIS 240 CO -0.24 0.39 -0.83 -0.91 -0.00 0.00 0.00 177.93 176.34 1pym h ASN 241 N 0.00 0.53 -0.13 2.45 2.35 -1.93 0.28 115.58 119.13 1pym h ASN 241 Ca -0.00 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 1pym h ASN 241 Cb 1.23 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1pym h ASN 241 CO 0.05 1.16 0.04 0.25 -1.65 0.00 0.00 177.43 177.28 1pym h LEU 242 N 0.27 0.19 -0.60 1.61 5.85 -1.87 -0.03 115.31 120.74 1pym h LEU 242 Ca -0.05 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1pym h LEU 242 Cb 1.44 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1pym h LEU 242 CO 0.14 0.35 0.37 0.03 -0.34 0.00 0.00 178.44 178.99 1pym h ARG 243 N 0.03 0.81 -0.73 1.25 3.08 -1.08 -1.58 114.38 116.15 1pym h ARG 243 Ca 0.04 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1pym h ARG 243 Cb 0.22 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1pym h ARG 243 CO -0.00 0.57 0.20 0.00 -1.07 0.00 0.00 179.97 179.67 1pym h ALA 244 N 1.19 0.96 -0.69 0.04 0.00 -0.38 -2.45 119.26 117.94 1pym h ALA 244 Ca 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1pym h ALA 244 Cb -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1pym h ALA 244 CO -0.04 0.67 0.30 1.03 0.00 0.00 0.00 179.25 181.21 1pym h SER 245 N 1.10 0.90 -0.40 0.00 0.87 -0.73 -2.12 113.55 113.17 1pym h SER 245 Ca 0.23 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 1pym h SER 245 Cb 0.35 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1pym h SER 245 CO -0.00 0.78 -0.15 0.58 -0.53 0.00 0.00 176.83 177.51 1pym h VAL 246 N 0.98 1.28 -0.52 2.23 2.07 -0.97 -1.85 116.25 119.47 1pym h VAL 246 Ca 0.23 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.53 1pym h VAL 246 Cb 0.14 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1pym h VAL 246 CO -0.03 0.43 0.25 0.28 0.02 0.00 0.00 177.57 178.52 1pym h SER 247 N 0.61 0.34 -0.11 0.57 0.02 -1.27 0.69 113.55 114.40 1pym h SER 247 Ca 0.09 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1pym h SER 247 Cb 0.70 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1pym h SER 247 CO 0.05 0.23 0.05 0.00 -1.14 0.00 0.00 176.83 176.02 1pym h ALA 248 N 1.29 0.15 -0.61 3.77 0.00 -1.29 -1.03 119.26 121.55 1pym h ALA 248 Ca 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1pym h ALA 248 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1pym h ALA 248 CO -0.18 -0.28 0.22 0.82 0.00 0.00 0.00 179.25 179.84 1pym h ILE 249 N 0.04 1.24 -0.15 0.00 2.04 -0.99 0.66 117.51 120.35 1pym h ILE 249 Ca 0.04 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1pym h ILE 249 Cb 0.15 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1pym h ILE 249 CO -0.00 0.29 0.06 1.56 0.00 0.00 0.00 178.15 180.06 1pym h GLN 250 N 0.85 0.22 -0.19 2.37 4.20 -0.73 -0.63 115.11 121.20 1pym h GLN 250 Ca 0.20 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.89 1pym h GLN 250 Cb 0.24 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1pym h GLN 250 CO -0.01 0.31 0.06 1.96 -0.67 0.00 0.00 178.83 180.48 1pym h GLN 251 N 0.09 0.14 -0.10 1.46 4.20 -1.08 -0.50 115.11 119.32 1pym h GLN 251 Ca 0.05 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1pym h GLN 251 Cb 0.17 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1pym h GLN 251 CO -0.00 0.09 0.05 1.15 -0.67 0.00 0.00 178.83 179.45 1pym h THR 252 N 0.15 1.12 -0.68 -0.54 2.02 -0.81 -1.71 112.91 112.46 1pym h THR 252 Ca 0.08 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1pym h THR 252 Cb 0.06 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1pym h THR 252 CO -0.09 0.11 0.33 0.74 0.37 0.00 0.00 175.52 176.97 1pym h THR 253 N 0.03 1.23 -0.57 3.16 2.02 -1.03 -1.89 112.91 115.86 1pym h THR 253 Ca 0.03 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 1pym h THR 253 Cb 0.13 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1pym h THR 253 CO -0.00 0.27 0.13 0.50 0.37 0.00 0.00 175.52 176.79 1pym h LYS 254 N 0.95 0.92 -0.07 6.66 3.64 -1.02 -0.23 116.57 127.41 1pym h LYS 254 Ca 0.23 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1pym h LYS 254 Cb 0.12 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1pym h LYS 254 CO -0.03 0.86 0.04 0.37 -2.27 0.00 0.00 179.45 178.42 1pym h GLN 255 N 0.82 0.10 -0.30 1.90 5.75 -1.11 -0.12 115.11 122.16 1pym h GLN 255 Ca 0.18 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1pym h GLN 255 Cb 0.35 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 1pym h GLN 255 CO 0.00 0.16 -0.16 0.82 -2.65 0.00 0.00 178.83 177.01 1pym h ILE 256 N 0.02 1.24 -0.31 2.39 2.04 -1.24 0.64 117.51 122.28 1pym h ILE 256 Ca 0.03 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1pym h ILE 256 Cb 0.09 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1pym h ILE 256 CO -0.00 0.36 0.17 0.22 0.00 0.00 0.00 178.15 178.89 1pym h TYR 257 N 0.47 0.43 -0.05 1.37 3.20 -0.71 0.21 116.97 121.89 1pym h TYR 257 Ca 0.08 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1pym h TYR 257 Cb 0.55 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1pym h TYR 257 CO 0.02 0.35 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.37 1pym h ASP 258 N 0.39 0.16 1.07 -2.11 3.32 -0.77 -3.31 116.42 115.16 1pym h ASP 258 Ca 0.11 -0.53 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 1pym h ASP 258 Cb 0.06 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1pym h ASP 258 CO -0.02 0.66 -0.63 0.44 -1.72 0.00 0.00 179.24 177.98 1pym h ASP 259 N -0.33 0.00 -6.00 6.45 3.32 -0.91 -3.47 116.42 115.49 1pym h ASP 259 Ca 0.01 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 1pym h ASP 259 Cb 0.63 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.26 1pym h ASP 259 CO 0.02 0.63 -0.72 0.00 -1.72 0.00 0.00 179.24 177.45 1pym n GLN 260 N -3.42 -6.90 -3.48 3.56 6.02 0.73 -4.96 117.38 108.94 1pym n GLN 260 Ca 0.00 0.74 -0.10 0.00 -0.01 0.00 0.00 57.00 57.63 1pym n GLN 260 Cb 0.72 -5.72 -0.02 0.00 1.02 0.00 0.00 30.24 26.24 1pym n GLN 260 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1pym s SER 261 N -3.46 -0.45 0.00 1.08 0.15 -1.24 -5.06 113.70 104.72 1pym s SER 261 Ca 0.53 0.07 0.22 0.00 0.70 0.00 0.00 55.95 57.47 1pym s SER 261 Cb -0.25 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1pym s SER 261 CO 0.77 -0.72 1.06 0.18 1.20 0.00 0.00 173.24 175.72 1pym n LEU 262 N -0.17 1.46 -0.34 3.45 4.77 -1.26 -4.50 117.00 120.41 1pym n LEU 262 Ca -0.12 -0.58 0.14 0.00 -0.03 0.00 0.00 56.01 55.42 1pym n LEU 262 Cb 0.62 -0.02 0.33 0.00 -2.33 0.00 0.00 43.42 42.02 1pym n LEU 262 CO 0.12 0.30 1.16 0.58 -1.33 0.00 0.00 177.39 178.23 1pym h VAL 263 N 1.22 0.64 -0.32 4.08 2.07 -1.99 -0.41 116.25 121.54 1pym h VAL 263 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1pym h VAL 263 Cb 0.62 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1pym h VAL 263 CO 0.00 0.12 0.00 0.59 0.02 0.00 0.00 177.57 178.30 1pym n ASN 264 N -4.83 1.90 0.00 0.57 3.02 -1.26 -3.91 115.26 110.75 1pym n ASN 264 Ca 0.24 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1pym n ASN 264 Cb 0.62 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 1pym n ASN 264 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1pym n VAL 265 N 0.44 0.00 -0.29 2.41 0.24 -0.49 -4.77 118.33 115.87 1pym n VAL 265 Ca 0.11 0.00 0.21 0.00 -2.04 0.00 0.00 64.34 62.62 1pym n VAL 265 Cb 0.32 -0.10 0.51 0.00 -1.47 0.00 0.00 33.84 33.11 1pym n VAL 265 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1pym h GLU 266 N 0.00 0.38 -0.20 7.34 4.57 -1.24 0.27 114.58 125.71 1pym h GLU 266 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1pym h GLU 266 Cb 0.22 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1pym h GLU 266 CO 0.00 0.25 0.00 -0.25 -1.18 0.00 0.00 179.01 177.83 1pym n ASP 267 N -4.56 2.86 -0.74 1.04 8.00 -1.26 -3.87 116.55 118.03 1pym n ASP 267 Ca 0.23 -1.91 0.09 0.00 0.71 0.00 0.00 54.79 53.90 1pym n ASP 267 Cb 0.80 -0.12 0.09 0.00 -0.02 0.00 0.00 41.12 41.88 1pym n ASP 267 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pym n LYS 268 N 1.16 1.61 -4.23 -1.24 5.02 0.93 -4.99 118.16 116.41 1pym n LYS 268 Ca 0.17 -1.65 -0.20 0.00 -2.02 0.00 0.00 58.31 54.61 1pym n LYS 268 Cb 0.54 -1.35 -0.12 0.00 -0.02 0.00 0.00 35.03 34.09 1pym n LYS 268 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1pym s ILE 269 N -1.40 1.36 0.57 -0.18 -4.36 -1.06 -5.09 121.20 111.04 1pym s ILE 269 Ca 0.23 -1.53 -0.19 0.00 -0.26 0.00 0.00 60.65 58.89 1pym s ILE 269 Cb 0.15 -1.38 -0.07 0.00 1.25 0.00 0.00 42.46 42.41 1pym s ILE 269 CO 0.22 -0.26 0.79 0.55 0.24 0.00 0.00 174.94 176.48 1pym n VAL 270 N 0.92 2.97 -1.89 8.37 3.14 -1.26 -4.95 118.33 125.63 1pym n VAL 270 Ca -0.18 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.40 1pym n VAL 270 Cb 0.55 -0.95 0.08 0.00 -1.06 0.00 0.00 33.84 32.46 1pym n VAL 270 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1pym s SER 271 N -1.16 4.68 0.24 6.55 1.04 -1.26 -4.95 113.70 118.83 1pym s SER 271 Ca 0.72 0.86 -0.07 0.00 0.48 0.00 0.00 55.95 57.94 1pym s SER 271 Cb -0.45 -1.41 0.26 0.00 0.10 0.00 0.00 66.02 64.52 1pym s SER 271 CO 0.51 -1.80 1.90 0.58 0.98 0.00 0.00 173.24 175.41 1pym h VAL 272 N -0.98 1.19 0.00 5.02 2.07 -2.00 -2.06 116.25 119.49 1pym h VAL 272 Ca -0.46 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1pym h VAL 272 Cb 1.31 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1pym h VAL 272 CO 0.65 0.22 -0.11 0.11 0.02 0.00 0.00 177.57 178.46 1pym h LYS 273 N 1.20 0.00 -0.13 1.57 1.57 -1.99 -0.10 116.57 118.69 1pym h LYS 273 Ca 0.35 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.92 1pym h LYS 273 Cb -0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.25 1pym h LYS 273 CO -0.10 0.11 -0.76 1.49 -0.57 0.00 0.00 179.45 179.62 1pym h GLU 274 N 0.00 0.69 0.62 3.15 4.57 -1.76 -0.06 114.58 121.79 1pym h GLU 274 Ca -0.00 -0.56 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 1pym h GLU 274 Cb 0.24 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1pym h GLU 274 CO 0.01 1.18 -0.40 0.82 -1.18 0.00 0.00 179.01 179.44 1pym h ILE 275 N 0.47 0.19 -1.00 2.32 1.08 -0.69 -0.72 117.51 119.16 1pym h ILE 275 Ca -0.05 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.62 1pym h ILE 275 Cb 1.38 0.19 -0.11 0.00 -3.07 0.00 0.00 36.82 35.21 1pym h ILE 275 CO 0.15 0.00 0.61 -0.26 -0.69 0.00 0.00 178.15 177.96 1pym h PHE 276 N -0.96 1.05 -0.44 1.37 0.04 -1.09 -0.89 116.94 116.03 1pym h PHE 276 Ca -0.08 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1pym h PHE 276 Cb 0.79 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1pym h PHE 276 CO -0.11 0.22 0.14 -0.09 -0.60 0.00 0.00 178.31 177.86 1pym h ARG 277 N 0.74 0.68 0.00 1.51 2.43 -0.61 -1.75 114.38 117.38 1pym h ARG 277 Ca 0.58 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.58 1pym h ARG 277 Cb 0.93 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1pym h ARG 277 CO -0.38 0.66 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.55 1pym h LEU 278 N 0.56 0.00 -0.59 3.80 3.38 0.04 -1.87 115.31 120.64 1pym h LEU 278 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pym h LEU 278 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1pym h LEU 278 CO -0.00 0.11 -0.02 0.00 0.09 0.00 0.00 178.44 178.62 1pym n GLN 279 N -3.28 1.34 -3.72 1.13 6.02 -0.45 -4.93 117.38 113.50 1pym n GLN 279 Ca 0.00 -0.59 -0.24 0.00 -0.01 0.00 0.00 57.00 56.16 1pym n GLN 279 Cb 0.35 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.17 1pym n GLN 279 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1pym n ARG 280 N -0.32 -6.06 0.25 -1.09 1.74 -0.70 -4.89 116.66 105.59 1pym n ARG 280 Ca 0.20 0.69 0.12 0.00 -0.77 0.00 0.00 57.85 58.09 1pym n ARG 280 Cb 0.27 -5.54 0.75 0.00 -1.02 0.00 0.00 32.46 26.92 1pym n ARG 280 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1pym h ASP 281 N -2.14 0.00 -0.60 0.55 3.58 -1.55 -2.08 116.42 114.18 1pym h ASP 281 Ca -0.59 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 56.78 1pym h ASP 281 Cb 1.36 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.39 1pym h ASP 281 CO 0.59 0.00 0.04 -0.78 -2.88 0.00 0.00 179.24 176.22 1pym h ASP 282 N 0.00 1.01 -0.48 2.28 3.58 -1.90 -0.80 116.42 120.11 1pym h ASP 282 Ca 0.02 -0.26 0.06 0.00 0.42 0.00 0.00 57.03 57.27 1pym h ASP 282 Cb 0.11 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 40.84 1pym h ASP 282 CO -0.00 1.04 0.20 -0.08 -2.88 0.00 0.00 179.24 177.51 1pym h GLU 283 N 0.97 0.38 -0.53 0.28 4.22 -1.76 -0.11 114.58 118.02 1pym h GLU 283 Ca 0.18 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.54 1pym h GLU 283 Cb 0.49 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1pym h GLU 283 CO 0.02 0.25 0.10 1.25 -2.18 0.00 0.00 179.01 178.45 1pym h LEU 284 N 0.39 0.78 -1.41 1.64 5.85 -1.52 -0.21 115.31 120.84 1pym h LEU 284 Ca 0.22 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1pym h LEU 284 Cb 0.20 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1pym h LEU 284 CO -0.20 0.79 0.15 0.58 -0.34 0.00 0.00 178.44 179.42 1pym h VAL 285 N 0.79 1.15 0.18 1.05 2.07 0.40 -0.34 116.25 121.56 1pym h VAL 285 Ca 0.17 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1pym h VAL 285 Cb 0.34 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1pym h VAL 285 CO 0.00 0.18 -0.09 1.56 0.02 0.00 0.00 177.57 179.25 1pym h GLN 286 N 0.54 -0.23 -0.64 1.57 1.08 0.50 -2.78 115.11 115.14 1pym h GLN 286 Ca 0.13 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.46 1pym h GLN 286 Cb 0.12 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.52 1pym h GLN 286 CO -0.01 0.13 0.21 0.00 -0.95 0.00 0.00 178.83 178.20 1pym h ALA 287 N 0.07 0.82 -0.05 3.87 0.00 -0.95 -0.87 119.26 122.15 1pym h ALA 287 Ca -0.02 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1pym h ALA 287 Cb 0.47 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pym h ALA 287 CO 0.04 -0.24 -0.27 0.93 0.00 0.00 0.00 179.25 179.71 1pym h GLU 288 N 0.36 0.08 -0.36 0.00 5.08 -1.07 0.47 114.58 119.14 1pym h GLU 288 Ca 0.34 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1pym h GLU 288 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1pym h GLU 288 CO -0.37 0.35 0.15 0.22 -1.00 0.00 0.00 179.01 178.37 1pym h ASP 289 N 0.08 0.49 0.86 1.42 3.58 -0.99 -2.06 116.42 119.80 1pym h ASP 289 Ca 0.01 -0.16 -0.22 0.00 0.42 0.00 0.00 57.03 57.09 1pym h ASP 289 Cb 0.52 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1pym h ASP 289 CO 0.04 0.51 -1.02 0.50 -2.88 0.00 0.00 179.24 176.39 1pym h LYS 290 N 0.43 0.08 -0.16 0.28 3.64 0.14 -3.40 116.57 117.58 1pym h LYS 290 Ca 0.12 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pym h LYS 290 Cb 0.17 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1pym h LYS 290 CO -0.01 1.02 0.00 0.66 -2.27 0.00 0.00 179.45 178.85 1pym n TYR 291 N -3.44 0.20 -4.96 1.91 4.01 0.15 -4.95 117.16 110.08 1pym n TYR 291 Ca -0.02 -0.28 -0.32 0.00 -0.16 0.00 0.00 57.90 57.11 1pym n TYR 291 Cb 0.93 -0.02 -0.14 0.00 -0.31 0.00 0.00 39.34 39.80 1pym n TYR 291 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1pym s LEU 292 N -0.88 2.55 0.11 7.72 1.02 -0.78 -5.02 118.68 123.41 1pym s LEU 292 Ca 0.15 -0.33 -0.35 0.00 0.02 0.00 0.00 54.13 53.62 1pym s LEU 292 Cb 0.08 -1.52 -0.15 0.00 0.02 0.00 0.00 46.19 44.62 1pym s LEU 292 CO 0.12 0.26 1.47 -2.65 0.02 0.00 0.00 176.35 175.57 1pym n PRO 293 N 2.90 1.66 0.24 1.29 -0.02 -1.26 -4.80 135.00 135.01 1pym n PRO 293 Ca -0.18 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 1pym n PRO 293 Cb 0.52 -2.31 0.59 0.00 -0.02 0.00 0.00 33.50 32.28 1pym n PRO 293 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1pym h LYS 294 N 5.36 0.00 0.00 -0.52 1.79 -1.94 -3.53 116.57 117.72 1pym h LYS 294 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1pym h LYS 294 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1pym h LYS 294 CO 0.84 0.11 0.00 0.09 -1.08 0.00 0.00 179.45 179.41