#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpw s ARG 2 N 0.00 1.17 -1.37 3.17 3.52 -1.26 -4.43 118.95 119.75 1xpw s ARG 2 Ca 0.00 -0.79 -0.09 0.00 -0.13 0.00 0.00 55.73 54.73 1xpw s ARG 2 Cb 0.00 -1.21 0.02 0.00 -1.56 0.00 0.00 34.95 32.20 1xpw s ARG 2 CO 0.00 0.31 1.12 1.63 -0.81 0.00 0.00 175.30 177.55 1xpw n LYS 3 N 2.04 -7.37 -3.63 5.12 5.02 0.52 -4.91 118.16 114.95 1xpw n LYS 3 Ca -0.17 0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 56.54 1xpw n LYS 3 Cb 0.54 -5.80 -0.06 0.00 -0.02 0.00 0.00 35.03 29.69 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xpw s ILE 4 N -3.33 5.18 -0.36 -0.18 2.07 -1.16 -4.71 121.20 118.71 1xpw s ILE 4 Ca 0.53 0.57 -0.28 0.00 -1.41 0.00 0.00 60.65 60.06 1xpw s ILE 4 Cb -0.24 -3.61 -0.03 0.00 0.13 0.00 0.00 42.46 38.70 1xpw s ILE 4 CO 0.75 0.52 1.99 -0.62 -1.91 0.00 0.00 174.94 175.68 1xpw s ASP 5 N -1.23 5.50 0.00 4.50 -1.08 -1.26 -3.22 116.67 119.88 1xpw s ASP 5 Ca 0.23 1.28 0.25 0.00 -0.52 0.00 0.00 52.55 53.80 1xpw s ASP 5 Cb -0.15 -2.52 0.55 0.00 -1.46 0.00 0.00 42.92 39.34 1xpw s ASP 5 CO 0.12 -2.03 1.44 0.18 0.52 0.00 0.00 175.17 175.41 1xpw n LEU 6 N 11.74 0.61 0.03 -1.34 4.77 0.77 -3.66 117.00 129.94 1xpw n LEU 6 Ca 0.26 -0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1xpw n LEU 6 Cb 0.48 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1xpw n LEU 6 CO 0.69 0.14 -0.13 0.00 -1.33 0.00 0.00 177.39 176.76 1xpw s LEU 8 N -4.28 4.28 0.47 0.00 0.20 -1.24 -4.69 118.68 113.41 1xpw s LEU 8 Ca 0.01 3.00 0.32 0.00 0.69 0.00 0.00 54.13 58.15 1xpw s LEU 8 Cb 0.13 -3.73 1.61 0.00 -0.43 0.00 0.00 46.19 43.77 1xpw s LEU 8 CO 0.82 -0.92 1.97 0.77 -0.29 0.00 0.00 176.35 178.69 1xpw h SER 9 N 2.87 0.00 0.98 3.68 4.64 -1.92 -0.69 113.55 123.10 1xpw h SER 9 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1xpw h SER 9 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1xpw h SER 9 CO 0.63 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.87 1xpw h SER 10 N 0.00 0.00 -0.01 4.97 0.02 -1.91 -1.99 113.55 114.63 1xpw h SER 10 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xpw h SER 10 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1xpw h SER 10 CO 0.00 0.00 -0.10 -0.62 -1.14 0.00 0.00 176.83 174.97 1xpw n GLU 11 N -2.67 1.89 -0.74 3.45 -0.58 -0.27 -4.94 120.64 116.78 1xpw n GLU 11 Ca 0.02 -1.46 0.00 0.00 -0.42 0.00 0.00 57.16 55.29 1xpw n GLU 11 Cb 0.29 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1xpw n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xpw n GLY 12 N 1.32 0.61 3.73 0.62 0.00 -0.75 -4.96 105.19 105.76 1xpw n GLY 12 Ca 0.14 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1xpw n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpw s SER 13 N -2.20 7.03 0.15 1.61 0.01 -1.24 -4.72 113.70 114.34 1xpw s SER 13 Ca 0.00 2.24 0.07 0.00 1.31 0.00 0.00 55.95 59.57 1xpw s SER 13 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1xpw s SER 13 CO 0.00 -0.43 -0.04 -1.61 0.41 0.00 0.00 173.24 171.57 1xpw s GLU 14 N 0.06 2.28 -0.10 12.44 0.41 -0.79 -4.54 118.70 128.47 1xpw s GLU 14 Ca 0.55 -1.09 -0.05 0.00 -0.41 0.00 0.00 54.97 53.97 1xpw s GLU 14 Cb -0.33 -2.32 -0.04 0.00 -1.78 0.00 0.00 34.13 29.66 1xpw s GLU 14 CO 0.35 0.47 0.11 0.14 -0.49 0.00 0.00 175.26 175.84 1xpw s VAL 15 N -1.56 5.18 0.04 2.63 -7.23 -1.26 -1.13 120.40 117.07 1xpw s VAL 15 Ca 0.25 0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.52 1xpw s VAL 15 Cb -0.10 -3.25 -0.02 0.00 0.56 0.00 0.00 36.38 33.57 1xpw s VAL 15 CO 0.17 0.59 -0.13 -0.51 -0.31 0.00 0.00 175.10 174.91 1xpw s ILE 16 N -1.01 1.03 0.00 -0.62 2.07 0.46 -4.97 121.20 118.15 1xpw s ILE 16 Ca 0.15 -1.01 0.00 0.00 -1.41 0.00 0.00 60.65 58.38 1xpw s ILE 16 Cb -0.12 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.52 1xpw s ILE 16 CO 0.05 -0.06 0.00 -0.11 -1.91 0.00 0.00 174.94 172.91 1xpw n LEU 17 N 1.82 0.00 -2.79 8.50 0.00 -1.26 -2.22 117.00 121.05 1xpw n LEU 17 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.79 1xpw n LEU 17 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.94 1xpw n LEU 17 CO 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 177.39 177.18 1xpw n ALA 18 N 3.78 -2.72 -0.23 1.96 0.00 -1.25 -4.90 120.51 117.15 1xpw n ALA 18 Ca 0.00 1.51 -0.08 0.00 0.00 0.00 0.00 53.44 54.87 1xpw n ALA 18 Cb 0.00 -3.14 0.03 0.00 0.00 0.00 0.00 19.45 16.35 1xpw n ALA 18 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xpw h THR 19 N 4.44 1.26 -2.75 0.00 1.35 -1.30 -3.30 112.91 112.62 1xpw h THR 19 Ca -0.35 -1.00 -0.72 0.00 -0.55 0.00 0.00 66.41 63.79 1xpw h THR 19 Cb 0.81 0.67 -0.20 0.00 -1.73 0.00 0.00 68.15 67.70 1xpw h THR 19 CO 0.01 0.37 0.68 -0.44 -0.25 0.00 0.00 175.52 175.89 1xpw s SER 20 N -6.41 6.70 -0.20 5.36 0.01 -1.26 -4.99 113.70 112.90 1xpw s SER 20 Ca -0.12 -2.27 0.01 0.00 1.31 0.00 0.00 55.95 54.88 1xpw s SER 20 Cb 0.14 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 64.05 1xpw s SER 20 CO 0.84 -0.92 -0.17 -0.94 0.41 0.00 0.00 173.24 172.46 1xpw s SER 21 N 3.21 3.41 0.11 2.44 1.04 -1.24 -4.90 113.70 117.77 1xpw s SER 21 Ca 0.30 -0.82 0.05 0.00 0.48 0.00 0.00 55.95 55.95 1xpw s SER 21 Cb -0.06 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 1xpw s SER 21 CO -0.09 -0.05 0.05 -0.62 0.98 0.00 0.00 173.24 173.50 1xpw s ASP 22 N 1.26 5.22 0.09 7.02 2.15 -1.23 -5.03 116.67 126.14 1xpw s ASP 22 Ca 0.02 -0.15 0.06 0.00 0.43 0.00 0.00 52.55 52.91 1xpw s ASP 22 Cb -0.15 -1.29 -0.22 0.00 -0.30 0.00 0.00 42.92 40.96 1xpw s ASP 22 CO -0.11 0.14 1.15 -0.08 -0.17 0.00 0.00 175.17 176.11 1xpw h GLU 23 N 3.11 0.03 0.00 4.34 4.81 -1.99 -2.76 114.58 122.13 1xpw h GLU 23 Ca -0.47 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 1xpw h GLU 23 Cb 1.18 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1xpw h GLU 23 CO 0.62 0.94 -0.78 0.87 -0.73 0.00 0.00 179.01 179.93 1xpw h LYS 24 N 0.01 0.00 -2.46 1.92 1.57 -2.02 -3.38 116.57 112.21 1xpw h LYS 24 Ca -0.07 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.11 1xpw h LYS 24 Cb 1.84 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.75 1xpw h LYS 24 CO 0.13 0.14 -0.83 0.72 -0.57 0.00 0.00 179.45 179.04 1xpw n HIS 25 N -2.91 1.04 -2.15 -1.35 8.25 -1.23 -5.07 115.22 111.80 1xpw n HIS 25 Ca -0.01 -3.77 -0.32 0.00 -0.26 0.00 0.00 57.72 53.37 1xpw n HIS 25 Cb 0.64 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 1xpw n HIS 25 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1xpw s PRO 26 N -1.01 3.76 0.00 -0.41 0.02 -1.04 -3.55 135.00 132.76 1xpw s PRO 26 Ca 0.32 0.88 0.11 0.00 0.02 0.00 0.00 61.00 62.33 1xpw s PRO 26 Cb 0.06 -2.11 0.55 0.00 0.02 0.00 0.00 34.50 33.02 1xpw s PRO 26 CO -0.14 -0.43 1.31 -2.30 -0.33 0.00 0.00 177.00 175.10 1xpw n PRO 27 N -2.12 0.10 0.02 5.54 -0.02 -1.26 -1.06 135.00 136.20 1xpw n PRO 27 Ca 0.06 0.23 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 1xpw n PRO 27 Cb 0.54 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.80 1xpw n PRO 27 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xpw n GLU 28 N -1.37 0.09 0.17 -0.52 0.00 -1.26 -3.12 120.64 114.64 1xpw n GLU 28 Ca 0.04 0.03 0.14 0.00 0.00 0.00 0.00 57.16 57.37 1xpw n GLU 28 Cb 0.11 -1.56 0.55 0.00 0.00 0.00 0.00 31.44 30.53 1xpw n GLU 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1xpw h ASN 29 N 0.00 0.00 0.38 -1.84 -0.26 -1.41 -0.48 115.58 111.97 1xpw h ASN 29 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1xpw h ASN 29 Cb 0.58 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 1xpw h ASN 29 CO 0.00 0.00 -0.33 0.40 -1.06 0.00 0.00 177.43 176.44 1xpw h ILE 30 N 0.00 0.31 0.00 2.81 2.04 -1.69 -3.21 117.51 117.76 1xpw h ILE 30 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xpw h ILE 30 Cb 0.42 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1xpw h ILE 30 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.45 1xpw n ILE 31 N -5.45 0.00 0.00 -0.67 -5.35 -1.09 -4.47 119.36 102.33 1xpw n ILE 31 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1xpw n ILE 31 Cb 0.35 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1xpw n ASP 32 N 0.00 0.00 0.00 7.28 2.03 -0.21 -3.81 116.55 121.84 1xpw n ASP 32 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xpw n ASP 32 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1xpw n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xpw n GLY 33 N 0.00 1.37 2.97 0.27 0.00 -1.26 -4.96 105.19 103.58 1xpw n GLY 33 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1xpw n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xpw s ASN 34 N -2.00 0.84 0.30 1.61 0.01 -1.25 -5.04 114.94 109.41 1xpw s ASN 34 Ca 0.00 -0.13 0.12 0.00 -0.71 0.00 0.00 52.86 52.14 1xpw s ASN 34 Cb 0.00 -0.15 0.47 0.00 0.41 0.00 0.00 41.25 41.97 1xpw s ASN 34 CO 0.00 0.06 1.67 -0.65 -1.51 0.00 0.00 177.10 176.67 1xpw h PRO 35 N 6.18 0.00 0.00 -0.60 0.11 -1.96 -3.22 132.00 132.51 1xpw h PRO 35 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xpw h PRO 35 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xpw h PRO 35 CO 0.50 0.54 -0.27 1.49 -0.21 0.00 0.00 178.00 180.05 1xpw h GLU 36 N 0.00 0.00 -6.09 1.05 4.81 -1.96 -3.45 114.58 108.94 1xpw h GLU 36 Ca -0.01 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.63 1xpw h GLU 36 Cb 0.99 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 1xpw h GLU 36 CO 0.07 0.00 -0.12 0.95 -0.73 0.00 0.00 179.01 179.18 1xpw s THR 37 N -3.18 4.91 0.22 0.32 -4.23 -1.22 -5.06 115.64 107.41 1xpw s THR 37 Ca 0.07 1.02 -0.15 0.00 -1.18 0.00 0.00 61.69 61.45 1xpw s THR 37 Cb 0.10 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1xpw s THR 37 CO 0.67 0.55 0.51 0.72 -0.54 0.00 0.00 174.62 176.52 1xpw s PHE 38 N -0.94 0.09 -0.02 3.99 -0.71 -1.21 -4.65 117.98 114.54 1xpw s PHE 38 Ca 0.26 -0.46 0.08 0.00 -1.04 0.00 0.00 56.93 55.77 1xpw s PHE 38 Cb -0.18 0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 41.92 1xpw s PHE 38 CO 0.16 -0.96 -0.24 -0.46 -1.34 0.00 0.00 175.22 172.37 1xpw s TRP 39 N -3.94 2.38 0.21 3.49 -0.00 -1.23 -4.67 118.94 115.18 1xpw s TRP 39 Ca 0.15 -0.40 0.02 0.00 -0.00 0.00 0.00 56.10 55.87 1xpw s TRP 39 Cb -0.01 -1.50 -0.05 0.00 -0.00 0.00 0.00 33.47 31.91 1xpw s TRP 39 CO 0.03 0.01 0.02 -0.08 -0.00 0.00 0.00 176.95 176.93 1xpw s THR 40 N -0.65 0.77 -0.09 5.86 -1.32 -1.26 -2.53 115.64 116.42 1xpw s THR 40 Ca 0.10 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.53 1xpw s THR 40 Cb -0.10 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1xpw s THR 40 CO -0.00 -0.33 0.15 0.42 -2.21 0.00 0.00 174.62 172.65 1xpw s THR 41 N -3.60 5.48 -0.46 5.08 -4.23 -0.38 -4.93 115.64 112.60 1xpw s THR 41 Ca 0.28 0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.93 1xpw s THR 41 Cb 0.06 -3.43 0.30 0.00 1.34 0.00 0.00 72.50 70.76 1xpw s THR 41 CO 0.07 0.54 1.16 0.35 -0.54 0.00 0.00 174.62 176.20 1xpw n THR 42 N 1.68 1.45 -0.66 3.99 -2.24 -1.26 -4.48 114.28 112.76 1xpw n THR 42 Ca -0.17 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1xpw n THR 42 Cb 0.54 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1xpw n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xpw n GLY 43 N 0.07 0.94 3.57 3.38 0.00 -1.26 -4.97 105.19 106.91 1xpw n GLY 43 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1xpw n GLY 43 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xpw s MET 44 N -0.29 3.39 -0.18 1.61 0.00 -1.26 -4.95 119.30 117.62 1xpw s MET 44 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 55.69 54.38 1xpw s MET 44 Cb 0.00 -5.35 -0.03 0.00 0.00 0.00 0.00 34.83 29.45 1xpw s MET 44 CO 0.00 -2.67 0.01 -0.06 0.00 0.00 0.00 175.02 172.30 1xpw s PHE 45 N 6.44 3.11 0.37 4.11 0.08 -1.26 -2.57 117.98 128.25 1xpw s PHE 45 Ca 0.56 -0.19 -0.09 0.00 0.12 0.00 0.00 56.93 57.33 1xpw s PHE 45 Cb 0.00 -2.03 -0.06 0.00 -0.57 0.00 0.00 43.02 40.36 1xpw s PHE 45 CO 0.00 -0.01 0.70 -1.25 -0.10 0.00 0.00 175.22 174.57 1xpw s PRO 46 N 0.51 3.74 0.40 0.24 0.04 -1.26 -5.06 135.00 133.61 1xpw s PRO 46 Ca -0.00 0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.40 1xpw s PRO 46 Cb -0.14 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1xpw s PRO 46 CO 0.02 0.04 0.09 1.14 0.04 0.00 0.00 177.00 178.33 1xpw s GLN 47 N -3.74 1.89 -0.09 4.56 0.00 -1.06 -5.00 119.66 116.22 1xpw s GLN 47 Ca 0.49 -2.13 -0.15 0.00 -0.00 0.00 0.00 55.36 53.57 1xpw s GLN 47 Cb -0.10 -0.85 0.03 0.00 0.00 0.00 0.00 33.01 32.08 1xpw s GLN 47 CO 0.31 -0.36 0.37 -1.83 0.00 0.00 0.00 175.29 173.77 1xpw s GLU 48 N -3.79 0.56 -0.01 9.60 -1.05 -1.26 -1.79 118.70 120.96 1xpw s GLU 48 Ca 0.25 0.23 0.00 0.00 -0.15 0.00 0.00 54.97 55.30 1xpw s GLU 48 Cb 0.04 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 34.01 1xpw s GLU 48 CO 0.13 -0.12 0.01 -0.59 0.95 0.00 0.00 175.26 175.65 1xpw s PHE 49 N -0.47 0.03 -0.18 4.83 -0.71 -0.72 -0.76 117.98 120.00 1xpw s PHE 49 Ca -0.06 0.05 -0.06 0.00 -1.04 0.00 0.00 56.93 55.82 1xpw s PHE 49 Cb -0.04 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1xpw s PHE 49 CO 0.02 -0.04 0.03 0.42 -1.34 0.00 0.00 175.22 174.31 1xpw s ILE 50 N 0.46 4.43 -0.20 -4.49 1.01 -0.94 -1.48 121.20 119.98 1xpw s ILE 50 Ca -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 1xpw s ILE 50 Cb -0.06 -2.98 -0.00 0.00 0.01 0.00 0.00 42.46 39.43 1xpw s ILE 50 CO -0.01 0.46 -0.09 -0.63 0.00 0.00 0.00 174.94 174.67 1xpw s ILE 51 N 0.45 3.03 -0.16 2.92 1.01 -0.22 -0.40 121.20 127.82 1xpw s ILE 51 Ca 0.01 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 1xpw s ILE 51 Cb -0.13 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1xpw s ILE 51 CO 0.01 0.46 0.07 0.00 0.00 0.00 0.00 174.94 175.48 1xpw n PHE 53 N 3.08 0.53 -0.99 0.00 3.72 -0.71 -1.89 117.46 121.20 1xpw n PHE 53 Ca -0.17 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1xpw n PHE 53 Cb 0.53 -0.83 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 1xpw n PHE 53 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1xpw n HIS 54 N -1.98 0.00 -3.72 1.38 -0.00 -1.26 -4.35 115.22 105.29 1xpw n HIS 54 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.73 1xpw n HIS 54 Cb 0.22 -1.03 0.01 0.00 -0.00 0.00 0.00 29.99 29.20 1xpw n HIS 54 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1xpw n LYS 55 N -0.97 0.42 -3.19 1.57 2.85 -1.26 -4.60 118.16 112.98 1xpw n LYS 55 Ca 0.00 -0.96 -0.41 0.00 -1.05 0.00 0.00 58.31 55.89 1xpw n LYS 55 Cb 0.25 1.30 -0.07 0.00 -0.65 0.00 0.00 35.03 35.85 1xpw n LYS 55 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1xpw s HIS 56 N -3.55 3.22 0.26 5.58 3.76 -0.34 -4.78 115.29 119.43 1xpw s HIS 56 Ca 0.15 0.49 0.03 0.00 -0.15 0.00 0.00 55.06 55.57 1xpw s HIS 56 Cb -0.02 -2.88 -0.05 0.00 1.11 0.00 0.00 32.58 30.74 1xpw s HIS 56 CO 0.04 -0.42 0.05 0.14 -0.85 0.00 0.00 174.74 173.69 1xpw s VAL 57 N 2.45 0.87 -0.14 -0.90 -7.23 -1.26 -0.11 120.40 114.06 1xpw s VAL 57 Ca 0.22 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1xpw s VAL 57 Cb -0.15 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.26 1xpw s VAL 57 CO 0.11 -0.15 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.42 1xpw s ARG 58 N -3.94 3.08 -0.20 4.82 0.52 0.50 -4.17 118.95 119.55 1xpw s ARG 58 Ca 0.33 -0.83 -0.12 0.00 -0.52 0.00 0.00 55.73 54.59 1xpw s ARG 58 Cb 0.07 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 33.01 1xpw s ARG 58 CO 0.12 0.00 0.23 0.42 0.02 0.00 0.00 175.30 176.09 1xpw s ILE 59 N 0.80 5.33 0.00 1.52 1.01 0.40 -2.24 121.20 128.01 1xpw s ILE 59 Ca -0.07 0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1xpw s ILE 59 Cb -0.16 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1xpw s ILE 59 CO -0.01 0.36 0.00 1.21 0.00 0.00 0.00 174.94 176.50 1xpw n GLU 60 N 3.97 2.16 -3.80 2.79 2.13 -0.75 -0.68 120.64 126.47 1xpw n GLU 60 Ca -0.13 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.56 1xpw n GLU 60 Cb 0.52 -0.98 -0.11 0.00 0.27 0.00 0.00 31.44 31.13 1xpw n GLU 60 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1xpw s ARG 61 N -1.96 0.31 -0.27 5.31 0.52 -0.86 -0.95 118.95 121.05 1xpw s ARG 61 Ca 0.00 0.21 -0.05 0.00 -0.52 0.00 0.00 55.73 55.37 1xpw s ARG 61 Cb 0.00 0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.63 1xpw s ARG 61 CO 0.00 -0.05 0.03 -0.51 0.02 0.00 0.00 175.30 174.79 1xpw s LEU 62 N -0.12 3.57 -0.61 2.53 1.02 0.56 -0.32 118.68 125.31 1xpw s LEU 62 Ca -0.02 -0.68 -0.21 0.00 0.02 0.00 0.00 54.13 53.24 1xpw s LEU 62 Cb -0.02 -1.82 0.08 0.00 0.02 0.00 0.00 46.19 44.45 1xpw s LEU 62 CO 0.01 -0.15 0.83 -0.69 0.02 0.00 0.00 176.35 176.37 1xpw s VAL 63 N 1.46 4.57 -0.24 -1.59 1.01 0.44 -0.39 120.40 125.66 1xpw s VAL 63 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xpw s VAL 63 Cb -0.17 -4.57 0.02 0.00 0.00 0.00 0.00 36.38 31.67 1xpw s VAL 63 CO 0.00 -1.25 -0.07 -0.63 0.00 0.00 0.00 175.10 173.15 1xpw s ILE 64 N 3.39 2.80 -0.53 2.22 1.01 -0.80 -0.50 121.20 128.79 1xpw s ILE 64 Ca 0.18 -1.01 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 1xpw s ILE 64 Cb -0.20 -2.40 0.09 0.00 0.01 0.00 0.00 42.46 39.96 1xpw s ILE 64 CO 0.09 0.23 0.59 -1.58 0.00 0.00 0.00 174.94 174.27 1xpw s GLN 65 N 1.32 3.05 0.17 2.79 0.74 0.52 -1.47 119.66 126.78 1xpw s GLN 65 Ca 0.01 -1.25 0.10 0.00 0.05 0.00 0.00 55.36 54.26 1xpw s GLN 65 Cb -0.16 -4.19 -0.04 0.00 1.10 0.00 0.00 33.01 29.71 1xpw s GLN 65 CO -0.05 -1.30 -0.22 -1.54 -0.55 0.00 0.00 175.29 171.62 1xpw s SER 66 N 3.12 3.10 -0.01 6.67 1.04 -1.25 -3.68 113.70 122.70 1xpw s SER 66 Ca 0.10 -0.83 0.01 0.00 0.48 0.00 0.00 55.95 55.71 1xpw s SER 66 Cb -0.24 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1xpw s SER 66 CO 0.08 0.07 -0.05 -0.31 0.98 0.00 0.00 173.24 174.01 1xpw s TYR 67 N -1.66 0.48 0.00 5.02 2.02 -1.20 -4.58 117.35 117.43 1xpw s TYR 67 Ca 0.17 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 1xpw s TYR 67 Cb -0.08 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 1xpw s TYR 67 CO 0.08 -0.04 0.00 1.19 -1.57 0.00 0.00 175.55 175.21 1xpw n PHE 68 N 3.16 0.00 -2.10 2.71 3.72 -1.26 -3.89 117.46 119.80 1xpw n PHE 68 Ca -0.15 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.86 1xpw n PHE 68 Cb 0.57 -0.37 -0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1xpw n PHE 68 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xpw s VAL 69 N -2.12 2.73 0.01 -4.37 1.01 -1.26 -0.25 120.40 116.14 1xpw s VAL 69 Ca 0.00 0.61 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1xpw s VAL 69 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1xpw s VAL 69 CO 0.00 0.05 -0.07 1.67 0.00 0.00 0.00 175.10 176.75 1xpw n GLN 70 N -0.15 0.11 -4.03 2.72 7.27 -0.80 -4.45 117.38 118.05 1xpw n GLN 70 Ca 0.05 0.04 -0.32 0.00 0.07 0.00 0.00 57.00 56.85 1xpw n GLN 70 Cb 0.45 -0.56 -0.15 0.00 2.41 0.00 0.00 30.24 32.39 1xpw n GLN 70 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1xpw s THR 71 N -1.82 2.32 -0.40 1.69 2.01 -0.53 -0.38 115.64 118.52 1xpw s THR 71 Ca -0.06 -1.94 -0.07 0.00 0.31 0.00 0.00 61.69 59.93 1xpw s THR 71 Cb 0.01 -2.52 0.08 0.00 0.01 0.00 0.00 72.50 70.08 1xpw s THR 71 CO 0.09 -0.31 0.21 -0.22 -0.69 0.00 0.00 174.62 173.70 1xpw s LEU 72 N 1.03 5.00 -0.24 4.42 2.96 0.02 -0.79 118.68 131.08 1xpw s LEU 72 Ca 0.00 -1.57 -0.20 0.00 -0.22 0.00 0.00 54.13 52.14 1xpw s LEU 72 Cb -0.20 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1xpw s LEU 72 CO -0.06 -0.50 0.62 -0.75 -1.32 0.00 0.00 176.35 174.34 1xpw s LYS 73 N 1.35 4.14 -0.44 1.98 2.20 0.49 -0.29 119.74 129.16 1xpw s LYS 73 Ca 0.03 0.55 -0.15 0.00 -0.36 0.00 0.00 55.97 56.03 1xpw s LYS 73 Cb -0.22 -3.63 0.05 0.00 -1.51 0.00 0.00 37.83 32.51 1xpw s LYS 73 CO 0.00 -0.36 0.34 0.42 -0.36 0.00 0.00 175.35 175.40 1xpw s ILE 74 N 2.31 5.24 -0.11 5.43 1.01 -0.89 -0.79 121.20 133.40 1xpw s ILE 74 Ca 0.26 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 1xpw s ILE 74 Cb -0.16 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1xpw s ILE 74 CO 0.09 -0.44 0.31 -1.61 0.00 0.00 0.00 174.94 173.30 1xpw s GLU 75 N 1.66 4.03 -0.16 2.79 2.02 -0.44 -2.36 118.70 126.25 1xpw s GLU 75 Ca 0.05 0.17 -0.05 0.00 0.02 0.00 0.00 54.97 55.16 1xpw s GLU 75 Cb -0.21 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 1xpw s GLU 75 CO 0.08 0.45 0.00 0.21 0.02 0.00 0.00 175.26 176.03 1xpw s LYS 76 N -0.21 3.70 -0.05 1.61 2.20 -0.13 -0.86 119.74 126.00 1xpw s LYS 76 Ca 0.19 -0.45 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 1xpw s LYS 76 Cb -0.14 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 1xpw s LYS 76 CO 0.07 0.31 -0.09 -1.12 -0.36 0.00 0.00 175.35 174.16 1xpw s SER 77 N 0.22 1.38 -0.22 1.43 0.01 -0.19 -1.65 113.70 114.68 1xpw s SER 77 Ca 0.00 -0.22 0.12 0.00 1.31 0.00 0.00 55.95 57.16 1xpw s SER 77 Cb -0.13 -0.65 0.43 0.00 0.21 0.00 0.00 66.02 65.88 1xpw s SER 77 CO 0.02 -0.00 1.30 0.41 0.41 0.00 0.00 173.24 175.37 1xpw n THR 78 N 3.89 2.27 -2.72 1.44 -1.04 -1.26 -0.54 114.28 116.33 1xpw n THR 78 Ca -0.24 -2.83 -0.20 0.00 -2.04 0.00 0.00 64.05 58.74 1xpw n THR 78 Cb 0.51 -0.27 0.09 0.00 -1.82 0.00 0.00 70.33 68.85 1xpw n THR 78 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xpw n SER 79 N -1.13 1.42 0.16 8.00 2.88 -1.26 -4.77 113.62 118.92 1xpw n SER 79 Ca 0.23 -2.13 0.04 0.00 -1.33 0.00 0.00 58.87 55.68 1xpw n SER 79 Cb 0.80 -0.52 0.14 0.00 -0.75 0.00 0.00 64.21 63.88 1xpw n SER 79 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1xpw h LYS 80 N 0.00 0.00 -6.33 -1.46 2.10 -1.96 -3.45 116.57 105.47 1xpw h LYS 80 Ca -0.28 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.75 1xpw h LYS 80 Cb 1.10 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.28 1xpw h LYS 80 CO 0.33 0.43 -0.77 -1.21 -2.00 0.00 0.00 179.45 176.23 1xpw s GLU 81 N -3.17 1.71 -0.88 0.07 2.02 -1.26 -5.03 118.70 112.16 1xpw s GLU 81 Ca 0.03 -1.65 -0.21 0.00 0.02 0.00 0.00 54.97 53.16 1xpw s GLU 81 Cb 0.08 -1.84 -0.13 0.00 0.10 0.00 0.00 34.13 32.34 1xpw s GLU 81 CO 0.72 0.36 1.96 -0.35 0.02 0.00 0.00 175.26 177.97 1xpw n PRO 82 N -0.37 1.69 -4.11 0.39 -0.04 -1.26 -4.84 135.00 126.46 1xpw n PRO 82 Ca -0.07 -1.98 -0.08 0.00 -0.04 0.00 0.00 63.50 61.33 1xpw n PRO 82 Cb 0.59 -3.00 -0.10 0.00 -0.04 0.00 0.00 33.50 30.95 1xpw n PRO 82 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xpw s VAL 83 N 4.97 0.35 -0.33 0.52 -7.23 -1.26 -5.00 120.40 112.42 1xpw s VAL 83 Ca 0.56 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.85 1xpw s VAL 83 Cb 0.14 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.54 1xpw s VAL 83 CO 0.09 -0.96 0.23 -0.67 -0.31 0.00 0.00 175.10 173.48 1xpw n ASP 84 N 0.10 -7.49 -4.30 4.85 2.03 -1.26 -4.68 116.55 105.79 1xpw n ASP 84 Ca -0.14 0.98 -0.39 0.00 0.52 0.00 0.00 54.79 55.76 1xpw n ASP 84 Cb 0.61 -5.00 -0.12 0.00 -0.72 0.00 0.00 41.12 35.89 1xpw n ASP 84 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1xpw s PHE 85 N -1.90 3.25 0.20 -0.67 0.40 -1.26 -4.30 117.98 113.70 1xpw s PHE 85 Ca 0.09 -1.28 -0.23 0.00 -0.60 0.00 0.00 56.93 54.91 1xpw s PHE 85 Cb -0.03 -2.33 -0.08 0.00 0.51 0.00 0.00 43.02 41.10 1xpw s PHE 85 CO 0.71 -0.70 0.76 -1.83 0.70 0.00 0.00 175.22 174.86 1xpw s GLU 86 N 1.45 4.43 -0.76 0.44 -1.05 -0.66 -4.76 118.70 117.80 1xpw s GLU 86 Ca -0.01 1.04 -0.26 0.00 -0.15 0.00 0.00 54.97 55.60 1xpw s GLU 86 Cb -0.19 -3.07 -0.01 0.00 -0.44 0.00 0.00 34.13 30.41 1xpw s GLU 86 CO 0.04 0.48 1.71 1.14 0.95 0.00 0.00 175.26 179.59 1xpw s GLN 87 N -1.54 2.84 -0.02 -4.83 -2.07 -1.26 -0.95 119.66 111.82 1xpw s GLN 87 Ca 0.39 0.01 -0.01 0.00 -1.82 0.00 0.00 55.36 53.93 1xpw s GLN 87 Cb -0.20 -4.62 -0.01 0.00 -1.09 0.00 0.00 33.01 27.09 1xpw s GLN 87 CO 0.24 -2.71 0.15 2.35 -1.32 0.00 0.00 175.29 173.99 1xpw h TRP 88 N 12.46 -0.05 -2.73 9.60 7.01 -1.83 -3.47 115.95 136.93 1xpw h TRP 88 Ca -0.12 -0.00 -0.28 0.00 2.11 0.00 0.00 58.89 60.59 1xpw h TRP 88 Cb 1.08 0.02 -0.35 0.00 -2.10 0.00 0.00 29.16 27.81 1xpw h TRP 88 CO 1.13 -0.03 -0.60 0.96 -2.79 0.00 0.00 178.44 177.11 1xpw s ILE 89 N -1.50 -0.34 -0.27 2.65 -4.36 -1.21 -5.06 121.20 111.11 1xpw s ILE 89 Ca -0.01 0.10 -0.19 0.00 -0.26 0.00 0.00 60.65 60.30 1xpw s ILE 89 Cb 0.00 -0.53 -0.02 0.00 1.25 0.00 0.00 42.46 43.16 1xpw s ILE 89 CO 0.02 -0.04 0.55 -1.83 0.24 0.00 0.00 174.94 173.89 1xpw s GLU 90 N 2.35 4.02 -0.25 0.37 1.03 -1.26 -2.09 118.70 122.86 1xpw s GLU 90 Ca 0.05 0.32 -0.11 0.00 0.03 0.00 0.00 54.97 55.25 1xpw s GLU 90 Cb -0.14 -3.68 -0.05 0.00 -0.80 0.00 0.00 34.13 29.47 1xpw s GLU 90 CO -0.10 -0.42 0.18 0.15 -1.33 0.00 0.00 175.26 173.75 1xpw s LYS 91 N 2.39 4.04 -0.26 -4.83 -0.14 0.60 -4.92 119.74 116.62 1xpw s LYS 91 Ca 0.22 -0.27 -0.16 0.00 -1.36 0.00 0.00 55.97 54.41 1xpw s LYS 91 Cb -0.15 -3.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.38 1xpw s LYS 91 CO 0.10 -0.02 0.41 0.16 -0.76 0.00 0.00 175.35 175.23 1xpw s ASP 92 N 1.28 6.32 0.01 2.83 -4.77 -1.26 -0.80 116.67 120.28 1xpw s ASP 92 Ca 0.08 0.38 0.01 0.00 -3.30 0.00 0.00 52.55 49.72 1xpw s ASP 92 Cb -0.14 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.42 1xpw s ASP 92 CO 0.07 -0.18 0.02 -0.22 0.70 0.00 0.00 175.17 175.55 1xpw s LEU 93 N 1.98 3.60 -0.04 2.11 2.96 0.49 -5.03 118.68 124.76 1xpw s LEU 93 Ca 0.17 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1xpw s LEU 93 Cb -0.16 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1xpw s LEU 93 CO 0.09 0.27 0.11 -0.69 -1.32 0.00 0.00 176.35 174.81 1xpw s VAL 94 N -1.13 5.02 -0.48 1.68 1.01 -1.26 -4.52 120.40 120.71 1xpw s VAL 94 Ca 0.21 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1xpw s VAL 94 Cb -0.12 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1xpw s VAL 94 CO 0.12 0.42 1.96 -2.28 0.00 0.00 0.00 175.10 175.32 1xpw s HIS 95 N -1.16 1.58 -0.23 5.22 2.46 -1.26 -4.96 115.29 116.93 1xpw s HIS 95 Ca 0.21 0.86 -0.10 0.00 0.47 0.00 0.00 55.06 56.51 1xpw s HIS 95 Cb -0.12 -4.00 -0.05 0.00 -0.13 0.00 0.00 32.58 28.28 1xpw s HIS 95 CO 0.12 -2.65 0.14 0.95 -2.47 0.00 0.00 174.74 170.83 1xpw s THR 96 N 8.88 5.16 -0.22 0.89 -4.23 -1.26 -5.08 115.64 119.78 1xpw s THR 96 Ca 0.78 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 61.32 1xpw s THR 96 Cb -0.18 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 1xpw s THR 96 CO 0.27 0.36 0.08 -1.83 -0.54 0.00 0.00 174.62 172.96 1xpw s GLU 97 N 1.06 3.84 0.00 3.99 4.04 -1.26 -4.39 118.70 125.98 1xpw s GLU 97 Ca 0.07 -0.40 0.00 0.00 0.04 0.00 0.00 54.97 54.68 1xpw s GLU 97 Cb -0.14 -3.33 0.00 0.00 0.02 0.00 0.00 34.13 30.69 1xpw s GLU 97 CO 0.04 0.02 0.00 0.41 -1.84 0.00 0.00 175.26 173.89 1xpw n GLY 98 N 4.34 2.80 3.50 -3.83 0.00 -1.26 -4.94 105.19 105.80 1xpw n GLY 98 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1xpw n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xpw s GLN 99 N -0.02 3.22 -0.49 1.61 0.74 -1.26 -5.03 119.66 118.43 1xpw s GLN 99 Ca 0.00 -0.62 -0.27 0.00 0.05 0.00 0.00 55.36 54.51 1xpw s GLN 99 Cb 0.00 -3.93 0.03 0.00 1.10 0.00 0.00 33.01 30.21 1xpw s GLN 99 CO 0.00 -0.80 1.04 -1.17 -0.55 0.00 0.00 175.29 173.81 1xpw s LEU 100 N 2.21 3.80 -0.83 3.68 0.20 -1.26 -4.69 118.68 121.78 1xpw s LEU 100 Ca 0.14 0.21 -0.22 0.00 0.69 0.00 0.00 54.13 54.95 1xpw s LEU 100 Cb -0.17 -3.30 0.08 0.00 -0.43 0.00 0.00 46.19 42.37 1xpw s LEU 100 CO 0.14 -1.20 1.16 -1.58 -0.29 0.00 0.00 176.35 174.58 1xpw s GLN 101 N 4.19 3.38 -0.74 1.98 2.00 -1.26 -4.95 119.66 124.26 1xpw s GLN 101 Ca 0.42 -1.10 -0.22 0.00 -2.00 0.00 0.00 55.36 52.45 1xpw s GLN 101 Cb -0.09 -4.68 0.08 0.00 0.80 0.00 0.00 33.01 29.12 1xpw s GLN 101 CO 0.28 -1.93 1.06 -0.80 -0.50 0.00 0.00 175.29 173.39 1xpw s ASN 102 N 3.95 6.28 -0.33 6.67 -0.87 -1.26 -3.74 114.94 125.64 1xpw s ASN 102 Ca 0.32 -1.18 -0.19 0.00 -1.57 0.00 0.00 52.86 50.24 1xpw s ASN 102 Cb -0.08 -2.44 -0.01 0.00 -0.02 0.00 0.00 41.25 38.70 1xpw s ASN 102 CO 0.00 -1.41 0.56 -0.70 -2.57 0.00 0.00 177.10 172.98 1xpw s GLU 103 N 4.00 3.75 -0.78 -0.60 2.12 -0.54 -4.89 118.70 121.75 1xpw s GLU 103 Ca 0.27 0.04 -0.26 0.00 0.36 0.00 0.00 54.97 55.37 1xpw s GLU 103 Cb -0.13 -3.77 0.03 0.00 0.26 0.00 0.00 34.13 30.53 1xpw s GLU 103 CO 0.05 -0.61 1.30 -1.21 -0.54 0.00 0.00 175.26 174.26 1xpw s GLU 104 N 2.49 3.25 -0.70 4.30 0.41 -1.26 -1.90 118.70 125.29 1xpw s GLU 104 Ca 0.21 -0.39 -0.21 0.00 -0.41 0.00 0.00 54.97 54.18 1xpw s GLU 104 Cb -0.15 -4.37 0.09 0.00 -1.78 0.00 0.00 34.13 27.92 1xpw s GLU 104 CO 0.13 -2.16 0.92 0.42 -0.49 0.00 0.00 175.26 174.08 1xpw s ILE 105 N 5.60 4.57 -0.63 -1.63 1.01 0.48 -4.89 121.20 125.70 1xpw s ILE 105 Ca 0.37 -0.82 -0.27 0.00 0.00 0.00 0.00 60.65 59.93 1xpw s ILE 105 Cb -0.07 -4.64 -0.01 0.00 0.01 0.00 0.00 42.46 37.75 1xpw s ILE 105 CO 0.11 -1.37 1.69 -0.69 0.00 0.00 0.00 174.94 174.68 1xpw s VAL 106 N 3.33 3.48 -0.08 2.92 1.01 -1.26 -0.32 120.40 129.48 1xpw s VAL 106 Ca 0.21 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 1xpw s VAL 106 Cb -0.16 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.06 1xpw s VAL 106 CO 0.05 -1.13 0.05 0.00 0.00 0.00 0.00 175.10 174.07 1xpw s ALA 107 N 7.98 0.43 -0.38 5.51 0.00 -0.12 -4.97 121.76 130.21 1xpw s ALA 107 Ca 0.59 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 1xpw s ALA 107 Cb -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1xpw s ALA 107 CO 0.20 -0.65 0.31 -1.01 0.00 0.00 0.00 175.76 174.61 1xpw s HIS 108 N 2.10 3.22 0.09 0.00 3.76 -1.26 -3.24 115.29 119.96 1xpw s HIS 108 Ca 0.04 -0.33 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 1xpw s HIS 108 Cb -0.13 -2.61 0.03 0.00 1.11 0.00 0.00 32.58 30.98 1xpw s HIS 108 CO -0.05 -0.50 0.42 0.41 -0.85 0.00 0.00 174.74 174.17 1xpw n GLY 109 N 5.10 1.10 2.94 -2.22 0.00 0.15 -5.01 105.19 107.24 1xpw n GLY 109 Ca -0.11 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 1xpw n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpw s SER 110 N -2.01 0.51 0.07 1.61 0.01 -1.26 -0.45 113.70 112.17 1xpw s SER 110 Ca 0.09 -0.08 -0.24 0.00 1.31 0.00 0.00 55.95 57.03 1xpw s SER 110 Cb -0.01 -0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.22 1xpw s SER 110 CO 0.03 0.05 0.58 0.00 0.41 0.00 0.00 173.24 174.30 1xpw s ALA 111 N -0.07 -1.50 -0.11 1.44 0.00 -1.26 -4.76 121.76 115.49 1xpw s ALA 111 Ca 0.01 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.71 1xpw s ALA 111 Cb -0.02 0.50 -0.11 0.00 0.00 0.00 0.00 23.12 23.49 1xpw s ALA 111 CO -0.00 -0.58 -0.02 0.25 0.00 0.00 0.00 175.76 175.41 1xpw n THR 112 N 0.19 0.71 -4.56 0.00 -2.24 -0.23 -4.41 114.28 103.74 1xpw n THR 112 Ca -0.18 -0.38 -0.26 0.00 -2.27 0.00 0.00 64.05 60.96 1xpw n THR 112 Cb 0.61 -0.82 -0.17 0.00 -2.10 0.00 0.00 70.33 67.86 1xpw n THR 112 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xpw s TYR 113 N -2.25 1.66 -0.16 4.78 1.51 0.30 -1.74 117.35 121.46 1xpw s TYR 113 Ca -0.10 -0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 55.28 1xpw s TYR 113 Cb 0.04 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.67 1xpw s TYR 113 CO 0.37 -0.35 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.83 1xpw s LEU 114 N 0.78 2.61 -0.44 -1.29 1.43 -0.64 -1.03 118.68 120.11 1xpw s LEU 114 Ca -0.12 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.47 1xpw s LEU 114 Cb -0.16 -1.61 0.09 0.00 0.03 0.00 0.00 46.19 44.55 1xpw s LEU 114 CO 0.02 0.09 0.29 -0.60 0.23 0.00 0.00 176.35 176.38 1xpw s ARG 115 N 0.81 2.58 -0.41 1.70 3.52 -0.04 -1.05 118.95 126.06 1xpw s ARG 115 Ca -0.04 -1.55 -0.25 0.00 -0.13 0.00 0.00 55.73 53.76 1xpw s ARG 115 Cb -0.15 -3.84 0.02 0.00 -1.56 0.00 0.00 34.95 29.42 1xpw s ARG 115 CO 0.00 -1.03 0.87 -0.06 -0.81 0.00 0.00 175.30 174.27 1xpw s PHE 116 N 1.42 3.02 -0.32 5.12 0.08 -0.55 -1.33 117.98 125.42 1xpw s PHE 116 Ca 0.04 0.49 -0.05 0.00 0.12 0.00 0.00 56.93 57.53 1xpw s PHE 116 Cb -0.24 -3.70 0.04 0.00 -0.57 0.00 0.00 43.02 38.55 1xpw s PHE 116 CO 0.01 -0.92 0.06 0.42 -0.10 0.00 0.00 175.22 174.69 1xpw s ILE 117 N 3.44 3.49 -0.87 0.64 1.01 0.03 -1.75 121.20 127.19 1xpw s ILE 117 Ca 0.35 -1.17 -0.22 0.00 0.00 0.00 0.00 60.65 59.60 1xpw s ILE 117 Cb -0.12 -2.96 0.07 0.00 0.01 0.00 0.00 42.46 39.47 1xpw s ILE 117 CO 0.21 -0.11 1.23 -0.63 0.00 0.00 0.00 174.94 175.64 1xpw s ILE 118 N 1.36 4.19 0.19 2.92 1.01 -0.74 -0.38 121.20 129.74 1xpw s ILE 118 Ca -0.02 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 1xpw s ILE 118 Cb -0.19 -4.88 0.09 0.00 0.01 0.00 0.00 42.46 37.49 1xpw s ILE 118 CO 0.01 -1.71 1.70 0.58 0.00 0.00 0.00 174.94 175.53 1xpw h VAL 119 N 6.23 1.26 -2.98 2.92 2.07 -1.24 -3.19 116.25 121.31 1xpw h VAL 119 Ca -0.00 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 1xpw h VAL 119 Cb 1.03 0.60 -0.14 0.00 -1.52 0.00 0.00 31.29 31.26 1xpw h VAL 119 CO 1.26 0.36 0.04 -0.44 0.02 0.00 0.00 177.57 178.81 1xpw s SER 120 N -6.37 -0.41 0.20 0.57 0.01 -1.23 -4.17 113.70 102.30 1xpw s SER 120 Ca -0.12 0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1xpw s SER 120 Cb 0.14 0.51 -0.05 0.00 0.21 0.00 0.00 66.02 66.83 1xpw s SER 120 CO 0.83 -0.81 0.06 0.00 0.41 0.00 0.00 173.24 173.73 1xpw s ALA 121 N -3.08 1.39 -0.68 1.44 0.00 -1.26 -1.45 121.76 118.12 1xpw s ALA 121 Ca -0.02 -1.68 0.25 0.00 0.00 0.00 0.00 51.96 50.51 1xpw s ALA 121 Cb -0.00 0.85 0.48 0.00 0.00 0.00 0.00 23.12 24.46 1xpw s ALA 121 CO -0.07 -0.42 1.45 1.19 0.00 0.00 0.00 175.76 177.91 1xpw n PHE 122 N -0.30 0.63 -4.62 0.00 3.72 0.65 -4.78 117.46 112.76 1xpw n PHE 122 Ca -0.03 0.18 -0.28 0.00 -0.05 0.00 0.00 57.45 57.27 1xpw n PHE 122 Cb 0.65 -0.72 -0.10 0.00 -0.94 0.00 0.00 39.48 38.37 1xpw n PHE 122 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1xpw s ASP 123 N -4.25 3.77 0.05 4.37 -1.08 -1.25 -5.03 116.67 113.25 1xpw s ASP 123 Ca 0.08 -1.41 0.27 0.00 -0.52 0.00 0.00 52.55 50.97 1xpw s ASP 123 Cb 0.13 -0.23 0.96 0.00 -1.46 0.00 0.00 42.92 42.32 1xpw s ASP 123 CO 0.69 -0.53 1.76 0.00 0.52 0.00 0.00 175.17 177.61 1xpw n HIS 124 N -0.98 0.20 -4.10 -5.34 1.44 -1.26 -4.80 115.22 100.38 1xpw n HIS 124 Ca -0.07 0.06 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1xpw n HIS 124 Cb 0.67 -0.54 -0.11 0.00 0.12 0.00 0.00 29.99 30.13 1xpw n HIS 124 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xpw s PHE 125 N -3.03 0.73 -0.06 -1.40 0.08 -1.26 -4.35 117.98 108.69 1xpw s PHE 125 Ca 0.12 -0.68 -0.05 0.00 0.12 0.00 0.00 56.93 56.44 1xpw s PHE 125 Cb 0.17 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 42.20 1xpw s PHE 125 CO 0.59 -0.13 0.15 0.00 -0.10 0.00 0.00 175.22 175.73 1xpw s ALA 126 N -2.33 -0.36 0.05 5.36 0.00 -1.26 -4.84 121.76 118.37 1xpw s ALA 126 Ca -0.01 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.44 1xpw s ALA 126 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1xpw s ALA 126 CO -0.02 -0.08 -0.13 -1.12 0.00 0.00 0.00 175.76 174.41 1xpw s SER 127 N 0.19 1.55 0.08 0.00 0.01 -1.25 -1.25 113.70 113.01 1xpw s SER 127 Ca -0.01 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.77 1xpw s SER 127 Cb -0.02 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 1xpw s SER 127 CO -0.00 -0.03 -0.08 0.54 0.41 0.00 0.00 173.24 174.08 1xpw s VAL 128 N -1.01 0.69 0.13 3.43 0.11 -1.05 -3.22 120.40 119.48 1xpw s VAL 128 Ca -0.01 -1.54 0.00 0.00 -2.93 0.00 0.00 61.98 57.50 1xpw s VAL 128 Cb -0.09 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 33.57 1xpw s VAL 128 CO 0.01 -0.61 0.00 1.57 -3.33 0.00 0.00 175.10 172.75 1xpw n HIS 129 N 0.68 -0.93 -3.74 1.54 -0.00 -1.24 -3.51 115.22 108.01 1xpw n HIS 129 Ca -0.17 0.16 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 1xpw n HIS 129 Cb 0.58 0.31 -0.12 0.00 -0.12 0.00 0.00 29.99 30.64 1xpw n HIS 129 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xpw s SER 130 N -5.07 5.32 -0.52 0.26 0.01 -1.26 -4.26 113.70 108.18 1xpw s SER 130 Ca 0.00 -1.57 0.03 0.00 1.31 0.00 0.00 55.95 55.72 1xpw s SER 130 Cb 0.00 -1.86 0.13 0.00 0.21 0.00 0.00 66.02 64.50 1xpw s SER 130 CO 0.00 -0.45 0.27 0.68 0.41 0.00 0.00 173.24 174.15 1xpw s VAL 131 N 1.30 2.71 -0.01 3.43 -7.23 -1.25 -0.35 120.40 119.00 1xpw s VAL 131 Ca 0.02 -3.21 -0.03 0.00 -1.81 0.00 0.00 61.98 56.95 1xpw s VAL 131 Cb -0.22 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 1xpw s VAL 131 CO -0.00 -0.80 0.18 -0.44 -0.31 0.00 0.00 175.10 173.73 1xpw s SER 132 N -0.09 6.35 -0.31 4.85 0.01 0.34 -4.66 113.70 120.19 1xpw s SER 132 Ca 0.17 0.34 -0.02 0.00 1.31 0.00 0.00 55.95 57.74 1xpw s SER 132 Cb -0.25 -1.99 0.05 0.00 0.21 0.00 0.00 66.02 64.05 1xpw s SER 132 CO -0.01 0.26 0.02 0.00 0.41 0.00 0.00 173.24 173.92 1xpw s ALA 133 N -1.33 2.85 -0.27 1.44 0.00 -1.26 -0.42 121.76 122.78 1xpw s ALA 133 Ca 0.27 -1.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.25 1xpw s ALA 133 Cb -0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1xpw s ALA 133 CO 0.19 -1.32 0.43 -1.21 0.00 0.00 0.00 175.76 173.85 1xpw s GLU 134 N 1.25 4.03 0.00 0.00 2.02 0.56 -0.16 118.70 126.40 1xpw s GLU 134 Ca -0.04 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.09 1xpw s GLU 134 Cb -0.20 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1xpw s GLU 134 CO -0.01 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1xpw n GLY 135 N 4.58 1.81 3.23 -1.39 0.00 -1.20 -1.81 105.19 110.42 1xpw n GLY 135 Ca -0.07 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1xpw n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpw s THR 136 N 1.34 0.00 -0.19 2.61 -4.23 -0.95 -0.36 115.64 113.87 1xpw s THR 136 Ca 0.00 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1xpw s THR 136 Cb 0.00 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1xpw s THR 136 CO 0.00 0.00 -0.00 0.68 -0.54 0.00 0.00 174.62 174.76 1xpw s VAL 137 N -4.06 4.01 0.02 2.29 -7.23 -1.26 -0.37 120.40 113.79 1xpw s VAL 137 Ca 0.39 -0.30 -0.17 0.00 -1.81 0.00 0.00 61.98 60.09 1xpw s VAL 137 Cb 0.06 -2.80 -0.34 0.00 0.56 0.00 0.00 36.38 33.86 1xpw s VAL 137 CO 0.14 0.44 1.00 0.58 -0.31 0.00 0.00 175.10 176.95 1xpw h VAL 138 N 5.29 1.32 -2.43 1.32 2.07 -0.81 -3.45 116.25 119.55 1xpw h VAL 138 Ca -0.35 -2.64 -0.14 0.00 0.82 0.00 0.00 66.70 64.39 1xpw h VAL 138 Cb 1.18 3.03 -0.29 0.00 -1.52 0.00 0.00 31.29 33.69 1xpw h VAL 138 CO 0.62 0.79 -0.44 -0.44 0.02 0.00 0.00 177.57 178.12 1xpw s SER 139 N -7.48 0.04 0.72 0.57 0.01 -0.75 -5.00 113.70 101.81 1xpw s SER 139 Ca -0.10 0.68 -0.10 0.00 1.31 0.00 0.00 55.95 57.74 1xpw s SER 139 Cb 0.04 1.13 0.04 0.00 0.21 0.00 0.00 66.02 67.43 1xpw s SER 139 CO 0.93 -0.25 1.08 0.21 0.41 0.00 0.00 173.24 175.62 1xpw s ASN 140 N 2.55 5.15 -1.30 2.44 2.47 -1.26 -1.20 114.94 123.79 1xpw s ASN 140 Ca 0.03 0.91 -0.17 0.00 0.42 0.00 0.00 52.86 54.05 1xpw s ASN 140 Cb -0.13 -1.64 0.01 0.00 -1.45 0.00 0.00 41.25 38.05 1xpw s ASN 140 CO -0.13 -1.48 2.02 -0.11 -3.72 0.00 0.00 177.10 173.69 1xpw n LEU 141 N -3.02 5.67 -0.37 3.21 -0.00 -1.26 -3.64 117.00 117.59 1xpw n LEU 141 Ca 0.07 -3.85 0.00 0.00 -0.00 0.00 0.00 56.01 52.23 1xpw n LEU 141 Cb 0.59 -1.62 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1xpw n LEU 141 CO 0.56 0.43 0.23 -1.20 -0.00 0.00 0.00 177.39 177.41 1xpw n SER 142 N 7.54 0.00 -0.04 1.96 7.64 -1.26 -5.16 113.62 124.30 1xpw n SER 142 Ca 0.50 -1.50 0.16 0.00 1.01 0.00 0.00 58.87 59.05 1xpw n SER 142 Cb 0.42 -0.10 0.91 0.00 -1.01 0.00 0.00 64.21 64.43 1xpw n SER 142 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83