#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpw n ARG 2 N 0.00 1.00 -3.92 3.17 1.85 -1.26 -4.55 116.66 112.95 1xpw n ARG 2 Ca 0.00 -0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.54 1xpw n ARG 2 Cb 0.00 -1.47 -0.15 0.00 -1.05 0.00 0.00 32.46 29.79 1xpw n ARG 2 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1xpw s LYS 3 N -2.00 1.43 -0.22 2.89 1.02 -1.24 -3.11 119.74 118.51 1xpw s LYS 3 Ca 0.45 -1.24 -0.13 0.00 0.02 0.00 0.00 55.97 55.07 1xpw s LYS 3 Cb 0.21 -2.64 0.07 0.00 -0.52 0.00 0.00 37.83 34.95 1xpw s LYS 3 CO 0.35 -0.76 0.54 -1.50 -0.92 0.00 0.00 175.35 173.06 1xpw s ILE 4 N 1.31 -0.01 -0.73 2.17 2.07 -1.25 -4.91 121.20 119.84 1xpw s ILE 4 Ca 0.01 0.04 -0.26 0.00 -1.41 0.00 0.00 60.65 59.03 1xpw s ILE 4 Cb -0.19 -0.79 0.00 0.00 0.13 0.00 0.00 42.46 41.62 1xpw s ILE 4 CO -0.10 0.02 1.61 -1.81 -1.91 0.00 0.00 174.94 172.75 1xpw s ASP 5 N 1.38 5.71 0.00 4.50 1.01 -1.26 -3.49 116.67 124.52 1xpw s ASP 5 Ca -0.09 -0.23 0.31 0.00 0.71 0.00 0.00 52.55 53.25 1xpw s ASP 5 Cb -0.06 -2.55 1.81 0.00 1.01 0.00 0.00 42.92 43.12 1xpw s ASP 5 CO -0.14 -2.13 2.18 0.18 0.21 0.00 0.00 175.17 175.46 1xpw n LEU 6 N 11.24 0.00 -0.37 1.23 4.77 0.18 -2.90 117.00 131.16 1xpw n LEU 6 Ca 0.17 0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 1xpw n LEU 6 Cb 0.50 -0.07 0.36 0.00 -2.33 0.00 0.00 43.42 41.88 1xpw n LEU 6 CO 0.69 -0.00 0.67 0.00 -1.33 0.00 0.00 177.39 177.42 1xpw s LEU 8 N -2.35 3.87 0.55 0.00 1.43 -1.14 -4.59 118.68 116.45 1xpw s LEU 8 Ca 0.27 2.30 0.28 0.00 -1.03 0.00 0.00 54.13 55.96 1xpw s LEU 8 Cb 0.20 -4.40 1.62 0.00 0.03 0.00 0.00 46.19 43.63 1xpw s LEU 8 CO 0.47 -1.14 2.16 -1.28 0.23 0.00 0.00 176.35 176.79 1xpw h SER 9 N 1.59 0.00 0.96 2.29 0.87 -0.89 0.22 113.55 118.60 1xpw h SER 9 Ca -0.50 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1xpw h SER 9 Cb 1.26 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1xpw h SER 9 CO 0.58 0.06 -0.02 0.28 -0.53 0.00 0.00 176.83 177.21 1xpw h SER 10 N 0.00 0.00 0.18 6.23 0.02 -1.89 -1.59 113.55 116.50 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 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1xpw h SER 10 CO 0.01 0.02 -0.20 -0.62 -1.14 0.00 0.00 176.83 174.90 1xpw n GLU 11 N -3.13 1.03 -0.67 3.45 -0.58 0.05 -4.91 120.64 115.88 1xpw n GLU 11 Ca 0.00 -0.61 0.00 0.00 -0.42 0.00 0.00 57.16 56.13 1xpw n GLU 11 Cb 0.31 -1.49 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 1.31 0.75 3.64 0.62 0.00 -0.60 -4.99 105.19 105.92 1xpw n GLY 12 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.51 6.89 0.18 1.61 0.01 -1.08 -4.62 113.70 114.18 1xpw s SER 13 Ca 0.00 1.09 0.07 0.00 1.31 0.00 0.00 55.95 58.42 1xpw s SER 13 Cb 0.00 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1xpw s SER 13 CO 0.00 -0.58 0.02 -1.61 0.41 0.00 0.00 173.24 171.48 1xpw s GLU 14 N 2.98 2.48 -0.04 12.44 2.02 0.09 -3.94 118.70 134.73 1xpw s GLU 14 Ca 0.37 -1.09 -0.15 0.00 0.02 0.00 0.00 54.97 54.12 1xpw s GLU 14 Cb -0.15 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 1xpw s GLU 14 CO 0.08 0.45 0.39 0.54 0.02 0.00 0.00 175.26 176.74 1xpw s VAL 15 N -1.78 5.11 -0.04 2.63 0.11 -1.26 -0.43 120.40 124.74 1xpw s VAL 15 Ca 0.28 0.79 -0.01 0.00 -2.93 0.00 0.00 61.98 60.11 1xpw s VAL 15 Cb -0.09 -3.70 0.03 0.00 -1.53 0.00 0.00 36.38 31.09 1xpw s VAL 15 CO 0.19 0.52 0.08 -0.51 -3.33 0.00 0.00 175.10 172.05 1xpw s ILE 16 N -0.64 -0.05 -0.09 7.04 2.07 0.50 -4.96 121.20 125.08 1xpw s ILE 16 Ca 0.23 0.18 -0.06 0.00 -1.41 0.00 0.00 60.65 59.58 1xpw s ILE 16 Cb -0.16 -0.14 0.02 0.00 0.13 0.00 0.00 42.46 42.31 1xpw s ILE 16 CO 0.11 0.07 0.12 -0.11 -1.91 0.00 0.00 174.94 173.23 1xpw n LEU 17 N 4.07 -4.15 -4.01 8.50 0.00 -1.26 -1.57 117.00 118.57 1xpw n LEU 17 Ca -0.26 1.23 -0.23 0.00 0.00 0.00 0.00 56.01 56.75 1xpw n LEU 17 Cb 0.52 -2.18 -0.16 0.00 0.00 0.00 0.00 43.42 41.59 1xpw n LEU 17 CO 0.21 -2.06 -0.46 0.00 0.00 0.00 0.00 177.39 175.07 1xpw s ALA 18 N -0.34 1.14 0.20 1.96 0.00 -1.26 -2.24 121.76 121.23 1xpw s ALA 18 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1xpw s ALA 18 Cb 0.01 -0.50 0.15 0.00 0.00 0.00 0.00 23.12 22.78 1xpw s ALA 18 CO 0.38 0.12 1.51 1.15 0.00 0.00 0.00 175.76 178.92 1xpw h THR 19 N 5.83 1.36 -3.40 0.00 2.02 -1.81 -3.42 112.91 113.50 1xpw h THR 19 Ca -0.32 -1.96 -0.66 0.00 0.77 0.00 0.00 66.41 64.24 1xpw h THR 19 Cb 1.18 1.95 -0.26 0.00 -1.74 0.00 0.00 68.15 69.28 1xpw h THR 19 CO 0.48 0.59 -0.76 -0.44 0.37 0.00 0.00 175.52 175.76 1xpw s SER 20 N -6.93 4.07 -0.07 4.18 0.01 -1.26 -5.01 113.70 108.69 1xpw s SER 20 Ca -0.06 -0.30 -0.06 0.00 1.31 0.00 0.00 55.95 56.85 1xpw s SER 20 Cb 0.11 -1.53 0.03 0.00 0.21 0.00 0.00 66.02 64.83 1xpw s SER 20 CO 0.82 0.19 0.19 -0.44 0.41 0.00 0.00 173.24 174.41 1xpw s SER 21 N 0.22 -0.19 0.08 2.44 0.01 -1.26 -4.92 113.70 110.08 1xpw s SER 21 Ca -0.08 0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.63 1xpw s SER 21 Cb -0.15 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 1xpw s SER 21 CO 0.05 -0.09 -0.20 -0.62 0.41 0.00 0.00 173.24 172.79 1xpw s ASP 22 N 0.44 2.40 0.31 2.44 2.15 -1.22 -5.04 116.67 118.16 1xpw s ASP 22 Ca -0.03 -0.63 0.16 0.00 0.43 0.00 0.00 52.55 52.49 1xpw s ASP 22 Cb -0.04 -0.15 0.31 0.00 -0.30 0.00 0.00 42.92 42.74 1xpw s ASP 22 CO -0.02 0.07 1.55 -0.33 -0.17 0.00 0.00 175.17 176.28 1xpw h GLU 23 N 4.34 0.00 0.00 4.34 5.08 -2.02 -2.80 114.58 123.53 1xpw h GLU 23 Ca -0.44 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 1xpw h GLU 23 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1xpw h GLU 23 CO 0.41 0.48 -1.63 1.63 -1.00 0.00 0.00 179.01 178.90 1xpw n LYS 24 N -3.35 0.64 -3.71 2.33 4.76 -1.26 -4.47 118.16 113.10 1xpw n LYS 24 Ca 0.01 0.04 -0.28 0.00 -2.87 0.00 0.00 58.31 55.21 1xpw n LYS 24 Cb 0.65 -1.68 -0.11 0.00 -1.84 0.00 0.00 35.03 32.05 1xpw n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xpw n HIS 25 N -2.63 2.49 -2.59 2.13 8.25 -1.20 -5.02 115.22 116.65 1xpw n HIS 25 Ca -0.09 -4.09 -0.42 0.00 -0.26 0.00 0.00 57.72 52.86 1xpw n HIS 25 Cb 0.73 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.37 4.49 0.00 -0.41 0.02 -1.06 -3.40 135.00 133.27 1xpw s PRO 26 Ca 0.29 1.55 0.16 0.00 0.02 0.00 0.00 61.00 63.03 1xpw s PRO 26 Cb 0.01 -3.43 0.83 0.00 0.02 0.00 0.00 34.50 31.92 1xpw s PRO 26 CO -0.15 -0.17 1.48 -2.30 -0.33 0.00 0.00 177.00 175.54 1xpw n PRO 27 N 4.08 0.23 0.17 5.54 -0.02 -1.26 -3.25 135.00 140.48 1xpw n PRO 27 Ca 0.08 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 1xpw n PRO 27 Cb 0.49 -1.50 0.67 0.00 -0.02 0.00 0.00 33.50 33.14 1xpw n PRO 27 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xpw h GLU 28 N 0.00 0.00 -0.12 -0.52 4.39 -1.96 -1.46 114.58 114.91 1xpw h GLU 28 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xpw h GLU 28 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1xpw h GLU 28 CO 0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 1xpw n ASN 29 N -4.44 2.50 0.24 1.42 3.02 -1.20 -4.24 115.26 112.56 1xpw n ASN 29 Ca 0.02 -1.82 0.07 0.00 -0.03 0.00 0.00 54.58 52.82 1xpw n ASN 29 Cb 0.28 -0.07 0.57 0.00 -0.61 0.00 0.00 39.78 39.95 1xpw n ASN 29 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1xpw h ILE 30 N 3.65 0.97 0.00 2.41 2.10 -1.49 -0.83 117.51 124.33 1xpw h ILE 30 Ca 0.00 -0.57 0.00 0.00 1.08 0.00 0.00 64.86 65.37 1xpw h ILE 30 Cb 0.78 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 1xpw h ILE 30 CO 0.00 0.16 -0.55 0.16 -1.08 0.00 0.00 178.15 176.83 1xpw h ILE 31 N 0.00 0.00 0.00 2.19 3.07 -1.78 -3.28 117.51 117.71 1xpw h ILE 31 Ca -0.00 -0.67 -0.00 0.00 1.55 0.00 0.00 64.86 65.73 1xpw h ILE 31 Cb 0.31 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 38.20 1xpw h ILE 31 CO 0.02 0.00 -0.20 0.44 -1.05 0.00 0.00 178.15 177.37 1xpw h ASP 32 N 0.00 0.00 -4.69 2.16 3.32 -1.40 0.11 116.42 115.92 1xpw h ASP 32 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1xpw h ASP 32 Cb 0.84 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.51 1xpw h ASP 32 CO 0.00 0.01 -0.55 0.61 -1.72 0.00 0.00 179.24 177.58 1xpw n GLY 33 N 1.12 -0.16 3.60 2.75 0.00 -1.02 -4.80 105.19 106.68 1xpw n GLY 33 Ca 0.03 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xpw n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xpw s ASN 34 N -3.78 6.49 0.41 1.61 2.47 -1.24 -4.94 114.94 115.96 1xpw s ASN 34 Ca 0.13 0.42 0.29 0.00 0.42 0.00 0.00 52.86 54.11 1xpw s ASN 34 Cb -0.06 -2.33 1.41 0.00 -1.45 0.00 0.00 41.25 38.82 1xpw s ASN 34 CO 0.54 -0.48 1.87 1.55 -3.72 0.00 0.00 177.10 176.86 1xpw h PRO 35 N 8.19 0.00 -0.01 0.43 0.13 -1.93 -0.08 132.00 138.73 1xpw h PRO 35 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xpw h PRO 35 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xpw h PRO 35 CO 0.80 0.00 -0.10 0.39 -0.23 0.00 0.00 178.00 178.86 1xpw n GLU 36 N -2.54 1.16 -4.04 0.86 1.02 -1.26 -4.74 120.64 111.10 1xpw n GLU 36 Ca -0.01 -0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 56.21 1xpw n GLU 36 Cb 0.13 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 29.91 1xpw n GLU 36 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xpw s THR 37 N -2.24 2.43 -0.12 2.62 2.01 -0.04 -5.09 115.64 115.20 1xpw s THR 37 Ca 0.33 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1xpw s THR 37 Cb 0.20 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.51 1xpw s THR 37 CO 0.42 0.26 -0.22 0.72 -0.69 0.00 0.00 174.62 175.11 1xpw s PHE 38 N 1.26 2.57 -0.15 4.92 -0.71 -1.26 -4.76 117.98 119.85 1xpw s PHE 38 Ca -0.00 -1.21 -0.12 0.00 -1.04 0.00 0.00 56.93 54.55 1xpw s PHE 38 Cb -0.16 -1.74 -0.05 0.00 -1.21 0.00 0.00 43.02 39.86 1xpw s PHE 38 CO -0.07 -0.53 0.26 -0.46 -1.34 0.00 0.00 175.22 173.07 1xpw s TRP 39 N 0.66 3.50 0.16 3.49 -0.00 -0.95 -4.83 118.94 120.95 1xpw s TRP 39 Ca -0.11 0.58 0.07 0.00 -0.00 0.00 0.00 56.10 56.64 1xpw s TRP 39 Cb -0.16 -2.25 -0.04 0.00 -0.00 0.00 0.00 33.47 31.01 1xpw s TRP 39 CO 0.02 0.35 -0.16 -0.08 -0.00 0.00 0.00 176.95 177.08 1xpw s THR 40 N 0.10 1.60 0.34 5.86 -1.32 -1.26 -0.91 115.64 120.06 1xpw s THR 40 Ca 0.16 -1.90 -0.17 0.00 -1.21 0.00 0.00 61.69 58.56 1xpw s THR 40 Cb -0.13 -1.77 -0.09 0.00 -1.51 0.00 0.00 72.50 69.00 1xpw s THR 40 CO 0.04 -0.42 0.79 0.42 -2.21 0.00 0.00 174.62 173.24 1xpw s THR 41 N -2.30 4.59 -1.05 5.08 -4.23 -0.12 -4.81 115.64 112.81 1xpw s THR 41 Ca 0.14 1.12 0.10 0.00 -1.18 0.00 0.00 61.69 61.87 1xpw s THR 41 Cb -0.04 -3.63 0.44 0.00 1.34 0.00 0.00 72.50 70.60 1xpw s THR 41 CO 0.05 -0.18 1.25 0.35 -0.54 0.00 0.00 174.62 175.55 1xpw n THR 42 N -0.33 1.25 -0.65 3.99 -2.24 -1.26 -4.67 114.28 110.36 1xpw n THR 42 Ca 0.04 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1xpw n THR 42 Cb 0.53 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.63 1.16 3.41 3.38 0.00 -1.25 -4.98 105.19 107.54 1xpw n GLY 43 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.21 3.30 0.17 1.61 0.00 -1.26 -5.02 119.30 117.88 1xpw s MET 44 Ca 0.00 -1.49 0.05 0.00 0.00 0.00 0.00 55.69 54.25 1xpw s MET 44 Cb 0.00 -4.48 -0.04 0.00 0.00 0.00 0.00 34.83 30.31 1xpw s MET 44 CO 0.00 -1.64 0.10 -0.06 0.00 0.00 0.00 175.02 173.42 1xpw s PHE 45 N 2.68 3.08 0.67 4.11 0.08 -1.26 -4.18 117.98 123.16 1xpw s PHE 45 Ca 0.21 -0.04 -0.15 0.00 0.12 0.00 0.00 56.93 57.07 1xpw s PHE 45 Cb -0.15 -1.48 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 1xpw s PHE 45 CO 0.00 0.52 1.13 -1.25 -0.10 0.00 0.00 175.22 175.52 1xpw s PRO 46 N -3.06 2.66 -0.31 0.24 0.04 -1.26 -5.11 135.00 128.21 1xpw s PRO 46 Ca 0.30 1.48 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 1xpw s PRO 46 Cb -0.10 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1xpw s PRO 46 CO 0.22 -1.37 0.07 -1.14 0.04 0.00 0.00 177.00 174.82 1xpw s GLN 47 N -4.02 2.76 -0.03 4.56 2.00 0.81 -4.95 119.66 120.79 1xpw s GLN 47 Ca 0.69 -1.07 0.07 0.00 -2.00 0.00 0.00 55.36 53.04 1xpw s GLN 47 Cb -0.23 -3.35 -0.02 0.00 0.80 0.00 0.00 33.01 30.21 1xpw s GLN 47 CO 0.42 -0.57 -0.22 -1.83 -0.50 0.00 0.00 175.29 172.59 1xpw s GLU 48 N 1.40 2.23 -0.14 1.67 -1.05 -1.26 -0.35 118.70 121.21 1xpw s GLU 48 Ca -0.01 -0.86 -0.12 0.00 -0.15 0.00 0.00 54.97 53.83 1xpw s GLU 48 Cb -0.19 -2.14 0.04 0.00 -0.44 0.00 0.00 34.13 31.40 1xpw s GLU 48 CO 0.01 0.58 0.36 -0.59 0.95 0.00 0.00 175.26 176.58 1xpw s PHE 49 N -0.65 -0.40 -0.11 4.83 -0.71 -0.88 -2.08 117.98 117.97 1xpw s PHE 49 Ca 0.10 0.98 -0.02 0.00 -1.04 0.00 0.00 56.93 56.96 1xpw s PHE 49 Cb -0.10 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 1xpw s PHE 49 CO -0.01 -0.20 -0.05 0.42 -1.34 0.00 0.00 175.22 174.05 1xpw s ILE 50 N 0.24 3.83 -0.20 -4.49 1.01 -0.61 -1.11 121.20 119.87 1xpw s ILE 50 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1xpw s ILE 50 Cb -0.03 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 1xpw s ILE 50 CO 0.00 0.55 -0.09 -0.63 0.00 0.00 0.00 174.94 174.77 1xpw s ILE 51 N -0.21 3.08 -0.24 2.92 1.01 0.44 -0.37 121.20 127.83 1xpw s ILE 51 Ca 0.03 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 1xpw s ILE 51 Cb -0.13 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 1xpw s ILE 51 CO 0.02 0.46 -0.01 0.00 0.00 0.00 0.00 174.94 175.42 1xpw h PHE 53 N 8.14 0.00 0.00 0.00 0.04 -0.80 0.30 116.94 124.62 1xpw h PHE 53 Ca -0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.38 1xpw h PHE 53 Cb 1.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1xpw h PHE 53 CO 0.60 0.45 0.00 0.72 -0.60 0.00 0.00 178.31 179.48 1xpw n HIS 54 N -3.63 0.00 -4.03 -0.55 8.25 -1.23 -4.05 115.22 109.98 1xpw n HIS 54 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1xpw n HIS 54 Cb 0.54 -1.04 -0.05 0.00 1.12 0.00 0.00 29.99 30.56 1xpw n HIS 54 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1xpw s LYS 55 N -0.94 1.70 -0.53 -0.41 -2.85 -1.26 -4.56 119.74 110.89 1xpw s LYS 55 Ca 0.00 -1.48 -0.22 0.00 -1.00 0.00 0.00 55.97 53.27 1xpw s LYS 55 Cb 0.00 0.46 0.05 0.00 -2.06 0.00 0.00 37.83 36.28 1xpw s LYS 55 CO 0.00 -0.71 0.79 -1.01 0.10 0.00 0.00 175.35 174.53 1xpw s HIS 56 N -3.55 2.91 0.02 1.78 3.76 0.64 -4.45 115.29 116.39 1xpw s HIS 56 Ca 0.26 -0.26 0.07 0.00 -0.15 0.00 0.00 55.06 54.98 1xpw s HIS 56 Cb -0.00 -3.82 -0.02 0.00 1.11 0.00 0.00 32.58 29.84 1xpw s HIS 56 CO 0.14 -1.20 -0.20 0.14 -0.85 0.00 0.00 174.74 172.76 1xpw s VAL 57 N 3.33 1.62 -0.32 -0.90 -7.23 -1.26 -0.72 120.40 114.93 1xpw s VAL 57 Ca 0.23 -1.03 -0.11 0.00 -1.81 0.00 0.00 61.98 59.26 1xpw s VAL 57 Cb -0.16 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 1xpw s VAL 57 CO 0.16 0.32 0.18 -0.60 -0.31 0.00 0.00 175.10 174.84 1xpw s ARG 58 N -0.84 3.40 0.01 4.82 3.52 0.23 -3.30 118.95 126.80 1xpw s ARG 58 Ca 0.08 -0.68 -0.19 0.00 -0.13 0.00 0.00 55.73 54.80 1xpw s ARG 58 Cb -0.08 -3.64 -0.06 0.00 -1.56 0.00 0.00 34.95 29.61 1xpw s ARG 58 CO 0.01 -0.41 0.56 0.42 -0.81 0.00 0.00 175.30 175.06 1xpw s ILE 59 N 1.65 4.89 -0.06 4.11 1.01 0.63 -0.89 121.20 132.53 1xpw s ILE 59 Ca 0.05 1.17 0.05 0.00 0.00 0.00 0.00 60.65 61.92 1xpw s ILE 59 Cb -0.17 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 1xpw s ILE 59 CO 0.08 0.47 0.01 1.21 0.00 0.00 0.00 174.94 176.71 1xpw n GLU 60 N 2.37 2.71 -3.66 2.79 0.00 0.03 -1.81 120.64 123.06 1xpw n GLU 60 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 56.92 1xpw n GLU 60 Cb 0.51 -1.16 -0.08 0.00 0.00 0.00 0.00 31.44 30.71 1xpw n GLU 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1xpw s ARG 61 N -2.15 0.78 -0.16 5.31 3.52 -0.85 -1.42 118.95 123.98 1xpw s ARG 61 Ca -0.04 0.26 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1xpw s ARG 61 Cb 0.02 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.76 1xpw s ARG 61 CO 0.25 -0.20 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.94 1xpw s LEU 62 N -0.77 2.78 -0.53 -0.88 1.43 0.59 -0.33 118.68 120.98 1xpw s LEU 62 Ca -0.08 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 1xpw s LEU 62 Cb -0.03 -1.66 0.13 0.00 0.03 0.00 0.00 46.19 44.67 1xpw s LEU 62 CO 0.05 0.10 0.43 -0.69 0.23 0.00 0.00 176.35 176.47 1xpw s VAL 63 N 0.73 4.56 -0.18 -1.59 1.01 0.46 -0.65 120.40 124.74 1xpw s VAL 63 Ca -0.05 -1.85 -0.01 0.00 0.00 0.00 0.00 61.98 60.08 1xpw s VAL 63 Cb -0.15 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1xpw s VAL 63 CO 0.02 -0.83 -0.14 -0.63 0.00 0.00 0.00 175.10 173.52 1xpw s ILE 64 N 1.23 2.61 -0.40 2.22 1.01 -0.83 -1.47 121.20 125.57 1xpw s ILE 64 Ca 0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 1xpw s ILE 64 Cb -0.25 -2.13 0.10 0.00 0.01 0.00 0.00 42.46 40.18 1xpw s ILE 64 CO -0.01 0.50 0.20 -1.58 0.00 0.00 0.00 174.94 174.05 1xpw s GLN 65 N 1.19 2.21 -0.11 2.79 0.74 0.46 -0.68 119.66 126.26 1xpw s GLN 65 Ca 0.02 -1.67 -0.29 0.00 0.05 0.00 0.00 55.36 53.47 1xpw s GLN 65 Cb -0.14 -3.59 0.07 0.00 1.10 0.00 0.00 33.01 30.45 1xpw s GLN 65 CO -0.06 -0.99 0.70 -1.54 -0.55 0.00 0.00 175.29 172.84 1xpw s SER 66 N 1.86 -0.67 0.20 6.67 1.04 -1.26 -0.44 113.70 121.10 1xpw s SER 66 Ca 0.05 0.89 0.08 0.00 0.48 0.00 0.00 55.95 57.45 1xpw s SER 66 Cb -0.23 0.76 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1xpw s SER 66 CO -0.02 -0.51 -0.16 -0.31 0.98 0.00 0.00 173.24 173.22 1xpw s TYR 67 N -0.80 1.77 0.00 5.02 2.02 -1.05 -4.71 117.35 119.61 1xpw s TYR 67 Ca -0.08 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 1xpw s TYR 67 Cb -0.01 -0.83 0.00 0.00 -0.40 0.00 0.00 41.96 40.72 1xpw s TYR 67 CO 0.08 0.38 0.00 1.19 -1.57 0.00 0.00 175.55 175.62 1xpw n PHE 68 N -0.25 0.00 -2.47 2.71 3.72 -1.26 -3.57 117.46 116.34 1xpw n PHE 68 Ca -0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 1xpw n PHE 68 Cb 0.60 -0.52 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.69 4.24 0.00 -4.37 1.01 -1.26 -0.50 120.40 116.82 1xpw s VAL 69 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1xpw s VAL 69 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1xpw s VAL 69 CO 0.00 0.06 0.00 1.67 0.00 0.00 0.00 175.10 176.83 1xpw n GLN 70 N 4.61 0.00 -3.55 2.72 7.27 -1.13 -4.13 117.38 123.17 1xpw n GLN 70 Ca 0.10 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.75 1xpw n GLN 70 Cb 0.47 -0.29 -0.09 0.00 2.41 0.00 0.00 30.24 32.74 1xpw n GLN 70 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1xpw s THR 71 N -0.73 4.40 -0.35 1.69 -4.23 -0.63 -1.89 115.64 113.90 1xpw s THR 71 Ca 0.00 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1xpw s THR 71 Cb 0.00 -3.75 0.09 0.00 1.34 0.00 0.00 72.50 70.18 1xpw s THR 71 CO 0.00 -0.62 0.07 -0.22 -0.54 0.00 0.00 174.62 173.31 1xpw s LEU 72 N 1.44 4.68 -0.25 4.79 2.96 -0.60 -0.41 118.68 131.29 1xpw s LEU 72 Ca 0.04 -1.95 -0.20 0.00 -0.22 0.00 0.00 54.13 51.80 1xpw s LEU 72 Cb -0.25 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1xpw s LEU 72 CO 0.02 -0.40 0.61 -1.59 -1.32 0.00 0.00 176.35 173.67 1xpw s LYS 73 N 1.03 4.12 -0.31 1.98 -2.85 0.23 -0.34 119.74 123.60 1xpw s LYS 73 Ca 0.06 0.53 -0.18 0.00 -1.00 0.00 0.00 55.97 55.38 1xpw s LYS 73 Cb -0.20 -3.64 -0.02 0.00 -2.06 0.00 0.00 37.83 31.91 1xpw s LYS 73 CO -0.06 -0.38 0.50 0.42 0.10 0.00 0.00 175.35 175.94 1xpw s ILE 74 N 2.39 5.05 -0.09 3.79 1.01 0.21 -1.13 121.20 132.42 1xpw s ILE 74 Ca 0.26 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.49 1xpw s ILE 74 Cb -0.16 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1xpw s ILE 74 CO 0.09 -0.07 -0.09 -0.70 0.00 0.00 0.00 174.94 174.17 1xpw s GLU 75 N 2.35 3.02 0.15 2.79 2.12 -0.37 -0.09 118.70 128.66 1xpw s GLU 75 Ca 0.19 -0.60 0.05 0.00 0.36 0.00 0.00 54.97 54.98 1xpw s GLU 75 Cb -0.15 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 1xpw s GLU 75 CO 0.11 0.48 0.09 -1.59 -0.54 0.00 0.00 175.26 173.82 1xpw s LYS 76 N -0.33 2.79 -0.03 4.30 -2.85 0.37 -0.96 119.74 123.02 1xpw s LYS 76 Ca 0.04 -0.88 -0.04 0.00 -1.00 0.00 0.00 55.97 54.09 1xpw s LYS 76 Cb -0.13 -2.60 0.01 0.00 -2.06 0.00 0.00 37.83 33.05 1xpw s LYS 76 CO 0.02 0.50 0.11 0.45 0.10 0.00 0.00 175.35 176.53 1xpw s SER 77 N -2.91 -0.07 -0.12 0.03 0.15 0.44 -0.38 113.70 110.85 1xpw s SER 77 Ca 0.30 0.11 0.16 0.00 0.70 0.00 0.00 55.95 57.22 1xpw s SER 77 Cb -0.10 0.22 0.27 0.00 -1.71 0.00 0.00 66.02 64.69 1xpw s SER 77 CO 0.22 -0.11 1.14 0.41 1.20 0.00 0.00 173.24 176.10 1xpw n THR 78 N 2.69 1.63 -2.62 6.45 -1.04 -1.26 0.16 114.28 120.29 1xpw n THR 78 Ca -0.15 -2.05 -0.24 0.00 -2.04 0.00 0.00 64.05 59.58 1xpw n THR 78 Cb 0.58 -0.11 0.12 0.00 -1.82 0.00 0.00 70.33 69.10 1xpw n THR 78 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1xpw s SER 79 N -2.65 4.15 0.04 8.00 0.15 -1.26 -4.77 113.70 117.36 1xpw s SER 79 Ca 0.28 -0.51 0.23 0.00 0.70 0.00 0.00 55.95 56.65 1xpw s SER 79 Cb 0.25 0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1xpw s SER 79 CO 0.01 -2.02 0.98 2.29 1.20 0.00 0.00 173.24 175.70 1xpw n LYS 80 N -2.91 0.29 -4.02 5.44 2.85 -1.26 -4.72 118.16 113.83 1xpw n LYS 80 Ca 0.17 -0.02 -0.25 0.00 -1.05 0.00 0.00 58.31 57.16 1xpw n LYS 80 Cb 0.61 -1.58 -0.04 0.00 -0.65 0.00 0.00 35.03 33.37 1xpw n LYS 80 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1xpw s GLU 81 N -3.20 3.19 0.00 -1.58 8.01 -1.26 -4.99 118.70 118.86 1xpw s GLU 81 Ca 0.03 -0.76 -0.03 0.00 0.01 0.00 0.00 54.97 54.22 1xpw s GLU 81 Cb 0.14 -2.80 -0.12 0.00 -4.31 0.00 0.00 34.13 27.05 1xpw s GLU 81 CO 0.82 0.49 2.24 -0.35 0.01 0.00 0.00 175.26 178.46 1xpw n PRO 82 N -0.63 1.16 -3.98 0.39 -0.04 -1.26 -4.78 135.00 125.86 1xpw n PRO 82 Ca -0.08 -0.45 -0.20 0.00 -0.04 0.00 0.00 63.50 62.74 1xpw n PRO 82 Cb 0.55 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 1xpw n PRO 82 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xpw n VAL 83 N 2.27 0.00 -3.07 0.52 0.24 -1.26 -4.97 118.33 112.06 1xpw n VAL 83 Ca 0.19 -2.00 -0.13 0.00 -2.04 0.00 0.00 64.34 60.37 1xpw n VAL 83 Cb 0.54 0.78 0.01 0.00 -1.47 0.00 0.00 33.84 33.71 1xpw n VAL 83 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xpw n ASP 84 N -1.68 -7.31 -4.58 -1.34 2.03 -1.26 -4.67 116.55 97.73 1xpw n ASP 84 Ca -0.02 0.19 -0.34 0.00 0.52 0.00 0.00 54.79 55.13 1xpw n ASP 84 Cb 0.51 -4.51 -0.11 0.00 -0.72 0.00 0.00 41.12 36.29 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 -2.53 3.14 -0.19 -0.67 0.08 -1.26 -4.49 117.98 112.06 1xpw s PHE 85 Ca 0.20 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.19 1xpw s PHE 85 Cb -0.05 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1xpw s PHE 85 CO 0.79 0.12 -0.18 -2.00 -0.10 0.00 0.00 175.22 173.85 1xpw s GLU 86 N 0.16 2.96 0.22 0.44 2.12 0.49 -4.93 118.70 120.17 1xpw s GLU 86 Ca 0.01 -0.85 -0.32 0.00 0.36 0.00 0.00 54.97 54.17 1xpw s GLU 86 Cb -0.13 -2.62 -0.13 0.00 0.26 0.00 0.00 34.13 31.51 1xpw s GLU 86 CO 0.02 -0.23 1.58 1.04 -0.54 0.00 0.00 175.26 177.12 1xpw n GLN 87 N 4.62 2.39 0.00 4.30 6.02 -1.26 -0.48 117.38 132.97 1xpw n GLN 87 Ca -0.20 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1xpw n GLN 87 Cb 0.50 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 29.14 1xpw n GLN 87 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1xpw n TRP 88 N 2.93 0.00 -3.70 1.08 -0.00 0.87 -4.79 117.44 113.83 1xpw n TRP 88 Ca 0.14 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.49 1xpw n TRP 88 Cb 0.32 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.49 1xpw n TRP 88 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1xpw s ILE 89 N -0.85 -0.18 -0.44 5.87 -4.36 -0.91 -5.00 121.20 115.32 1xpw s ILE 89 Ca 0.00 0.25 -0.19 0.00 -0.26 0.00 0.00 60.65 60.46 1xpw s ILE 89 Cb 0.00 -0.31 0.03 0.00 1.25 0.00 0.00 42.46 43.43 1xpw s ILE 89 CO 0.00 0.10 0.53 -0.70 0.24 0.00 0.00 174.94 175.12 1xpw s GLU 90 N 1.76 3.15 -0.29 0.37 2.12 -1.26 -0.62 118.70 123.94 1xpw s GLU 90 Ca -0.03 -0.68 -0.11 0.00 0.36 0.00 0.00 54.97 54.51 1xpw s GLU 90 Cb -0.12 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 1xpw s GLU 90 CO -0.07 -0.97 0.19 0.15 -0.54 0.00 0.00 175.26 174.02 1xpw s LYS 91 N 2.42 3.85 -0.39 4.30 -0.14 0.53 -4.93 119.74 125.38 1xpw s LYS 91 Ca 0.16 -0.39 -0.17 0.00 -1.36 0.00 0.00 55.97 54.20 1xpw s LYS 91 Cb -0.17 -3.65 0.01 0.00 -1.68 0.00 0.00 37.83 32.34 1xpw s LYS 91 CO 0.15 -0.23 0.46 0.16 -0.76 0.00 0.00 175.35 175.13 1xpw s ASP 92 N 1.74 6.23 0.27 2.83 -4.77 -1.26 -1.56 116.67 120.15 1xpw s ASP 92 Ca 0.07 -0.38 -0.23 0.00 -3.30 0.00 0.00 52.55 48.71 1xpw s ASP 92 Cb -0.16 -2.24 -0.09 0.00 -1.09 0.00 0.00 42.92 39.34 1xpw s ASP 92 CO 0.10 -0.52 0.83 -0.76 0.70 0.00 0.00 175.17 175.53 1xpw s LEU 93 N 2.24 4.35 0.18 2.11 1.02 -0.79 -5.04 118.68 122.75 1xpw s LEU 93 Ca 0.15 1.63 -0.10 0.00 0.02 0.00 0.00 54.13 55.83 1xpw s LEU 93 Cb -0.16 -3.79 -0.07 0.00 0.02 0.00 0.00 46.19 42.19 1xpw s LEU 93 CO 0.14 -0.01 0.50 0.54 0.02 0.00 0.00 176.35 177.54 1xpw s VAL 94 N -1.55 4.97 -0.06 -1.59 0.11 -1.26 -4.72 120.40 116.29 1xpw s VAL 94 Ca 0.46 0.49 -0.17 0.00 -2.93 0.00 0.00 61.98 59.83 1xpw s VAL 94 Cb -0.18 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 30.97 1xpw s VAL 94 CO 0.23 0.06 0.45 -1.38 -3.33 0.00 0.00 175.10 171.13 1xpw s HIS 95 N -1.66 3.62 -0.13 1.54 -3.43 -1.26 -4.94 115.29 109.03 1xpw s HIS 95 Ca 0.42 0.95 0.01 0.00 -0.80 0.00 0.00 55.06 55.64 1xpw s HIS 95 Cb -0.13 -2.44 0.02 0.00 -1.43 0.00 0.00 32.58 28.60 1xpw s HIS 95 CO 0.21 0.38 -0.15 0.95 -2.00 0.00 0.00 174.74 174.13 1xpw s THR 96 N -0.16 1.54 -0.27 -5.38 -4.23 -1.26 -5.12 115.64 100.76 1xpw s THR 96 Ca 0.25 -0.64 -0.10 0.00 -1.18 0.00 0.00 61.69 60.01 1xpw s THR 96 Cb -0.16 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 72.21 1xpw s THR 96 CO 0.12 0.45 0.17 -0.70 -0.54 0.00 0.00 174.62 174.12 1xpw s GLU 97 N 1.20 3.94 0.00 3.99 2.12 -1.26 -4.24 118.70 124.45 1xpw s GLU 97 Ca -0.02 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1xpw s GLU 97 Cb -0.14 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.66 1xpw s GLU 97 CO -0.05 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1xpw n GLY 98 N 4.86 2.88 3.80 -1.50 0.00 -1.26 -4.99 105.19 108.98 1xpw n GLY 98 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1xpw n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xpw s GLN 99 N -0.12 3.75 -0.37 1.61 -1.52 -1.26 -5.07 119.66 116.68 1xpw s GLN 99 Ca 0.00 -0.18 -0.13 0.00 -1.95 0.00 0.00 55.36 53.10 1xpw s GLN 99 Cb 0.00 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.52 1xpw s GLN 99 CO 0.00 0.56 0.25 -1.17 -0.25 0.00 0.00 175.29 174.68 1xpw s LEU 100 N -0.41 4.72 0.04 2.90 1.98 -1.26 -4.78 118.68 121.87 1xpw s LEU 100 Ca 0.12 -0.68 0.05 0.00 -2.89 0.00 0.00 54.13 50.73 1xpw s LEU 100 Cb -0.12 -2.12 -0.02 0.00 0.66 0.00 0.00 46.19 44.59 1xpw s LEU 100 CO 0.01 -0.33 -0.15 -1.10 -1.89 0.00 0.00 176.35 172.89 1xpw s GLN 101 N 1.68 1.01 -0.08 1.98 -1.52 -1.26 -5.14 119.66 116.32 1xpw s GLN 101 Ca 0.05 -0.77 -0.06 0.00 -1.95 0.00 0.00 55.36 52.63 1xpw s GLN 101 Cb -0.18 -1.03 -0.04 0.00 -0.22 0.00 0.00 33.01 31.53 1xpw s GLN 101 CO 0.09 0.26 0.17 -0.80 -0.25 0.00 0.00 175.29 174.76 1xpw s ASN 102 N -1.10 6.40 -0.43 5.90 -0.87 -1.26 -4.71 114.94 118.87 1xpw s ASN 102 Ca 0.03 0.45 -0.20 0.00 -1.57 0.00 0.00 52.86 51.56 1xpw s ASN 102 Cb -0.08 -2.06 0.02 0.00 -0.02 0.00 0.00 41.25 39.12 1xpw s ASN 102 CO 0.01 0.36 0.62 -0.70 -2.57 0.00 0.00 177.10 174.82 1xpw s GLU 103 N -1.33 3.30 -0.48 -0.60 2.56 0.14 -4.93 118.70 117.36 1xpw s GLU 103 Ca 0.19 -0.37 -0.23 0.00 0.00 0.00 0.00 54.97 54.56 1xpw s GLU 103 Cb -0.12 -3.94 0.03 0.00 2.00 0.00 0.00 34.13 32.10 1xpw s GLU 103 CO 0.09 -0.96 0.82 -2.00 -0.56 0.00 0.00 175.26 172.65 1xpw s GLU 104 N 2.73 3.37 -0.40 4.30 2.12 -1.26 -1.96 118.70 127.59 1xpw s GLU 104 Ca 0.22 -0.20 -0.13 0.00 0.36 0.00 0.00 54.97 55.22 1xpw s GLU 104 Cb -0.14 -3.98 0.03 0.00 0.26 0.00 0.00 34.13 30.30 1xpw s GLU 104 CO 0.18 -1.23 0.27 0.42 -0.54 0.00 0.00 175.26 174.36 1xpw s ILE 105 N 3.42 4.87 -0.42 -3.70 1.01 0.18 -4.93 121.20 121.63 1xpw s ILE 105 Ca 0.29 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.80 1xpw s ILE 105 Cb -0.13 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1xpw s ILE 105 CO 0.21 -0.33 1.84 0.54 0.00 0.00 0.00 174.94 177.20 1xpw s VAL 106 N 1.60 3.43 -0.18 2.92 0.11 -1.26 -0.30 120.40 126.72 1xpw s VAL 106 Ca 0.03 0.39 -0.05 0.00 -2.93 0.00 0.00 61.98 59.42 1xpw s VAL 106 Cb -0.20 -3.71 0.06 0.00 -1.53 0.00 0.00 36.38 31.01 1xpw s VAL 106 CO 0.08 -0.54 0.10 0.00 -3.33 0.00 0.00 175.10 171.40 1xpw s ALA 107 N 7.74 0.40 -0.38 1.54 0.00 -0.51 -4.96 121.76 125.58 1xpw s ALA 107 Ca 0.77 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 1xpw s ALA 107 Cb -0.19 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 21.89 1xpw s ALA 107 CO 0.30 -1.19 0.23 -1.01 0.00 0.00 0.00 175.76 174.08 1xpw s HIS 108 N 2.15 3.24 -0.04 0.00 3.76 -1.25 -2.85 115.29 120.31 1xpw s HIS 108 Ca 0.03 -0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 53.78 1xpw s HIS 108 Cb -0.16 -2.48 0.11 0.00 1.11 0.00 0.00 32.58 31.16 1xpw s HIS 108 CO -0.10 -0.63 0.90 0.20 -0.85 0.00 0.00 174.74 174.26 1xpw s GLY 109 N 1.59 -0.43 -0.23 -2.22 0.00 -0.75 -4.98 107.32 100.29 1xpw s GLY 109 Ca 0.03 1.22 -0.08 0.00 0.00 0.00 0.00 44.72 45.89 1xpw s GLY 109 CO 0.08 0.49 0.08 -0.56 0.00 0.00 0.00 173.10 173.19 1xpw s SER 110 N -2.17 5.41 -0.01 1.64 0.01 -1.26 -0.27 113.70 117.05 1xpw s SER 110 Ca 0.03 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.10 1xpw s SER 110 Cb -0.01 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.27 1xpw s SER 110 CO -0.06 0.03 0.22 0.00 0.41 0.00 0.00 173.24 173.84 1xpw s ALA 111 N 1.21 -0.54 -0.14 1.44 0.00 -1.21 -4.74 121.76 117.78 1xpw s ALA 111 Ca 0.05 0.14 0.12 0.00 0.00 0.00 0.00 51.96 52.27 1xpw s ALA 111 Cb -0.14 0.05 -0.17 0.00 0.00 0.00 0.00 23.12 22.85 1xpw s ALA 111 CO 0.04 -0.22 0.04 0.25 0.00 0.00 0.00 175.76 175.87 1xpw n THR 112 N 1.52 0.97 -4.64 0.00 -2.24 0.12 -4.24 114.28 105.77 1xpw n THR 112 Ca -0.21 -0.59 -0.26 0.00 -2.27 0.00 0.00 64.05 60.72 1xpw n THR 112 Cb 0.56 -0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.34 1.64 -0.17 4.78 1.51 -0.40 -0.12 117.35 122.25 1xpw s TYR 113 Ca -0.07 -0.63 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 1xpw s TYR 113 Cb 0.04 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1xpw s TYR 113 CO 0.57 -0.32 -0.17 -0.51 -1.11 0.00 0.00 175.55 174.01 1xpw s LEU 114 N 0.67 1.93 -0.27 -1.29 1.43 -0.11 -0.42 118.68 120.62 1xpw s LEU 114 Ca -0.14 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.31 1xpw s LEU 114 Cb -0.16 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1xpw s LEU 114 CO 0.04 -0.03 0.08 -0.60 0.23 0.00 0.00 176.35 176.08 1xpw s ARG 115 N 1.38 3.40 -0.31 1.70 3.52 -0.14 -0.42 118.95 128.08 1xpw s ARG 115 Ca 0.05 -0.65 -0.21 0.00 -0.13 0.00 0.00 55.73 54.79 1xpw s ARG 115 Cb -0.13 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1xpw s ARG 115 CO -0.12 -0.32 0.65 -0.06 -0.81 0.00 0.00 175.30 174.65 1xpw s PHE 116 N 1.57 3.20 -0.38 5.12 0.08 -0.27 -1.23 117.98 126.07 1xpw s PHE 116 Ca 0.05 0.59 -0.02 0.00 0.12 0.00 0.00 56.93 57.67 1xpw s PHE 116 Cb -0.16 -3.04 0.10 0.00 -0.57 0.00 0.00 43.02 39.34 1xpw s PHE 116 CO 0.03 -0.51 0.15 0.42 -0.10 0.00 0.00 175.22 175.22 1xpw s ILE 117 N 2.67 3.18 -0.42 0.64 1.01 -0.28 -2.07 121.20 125.92 1xpw s ILE 117 Ca 0.26 -1.93 -0.25 0.00 0.00 0.00 0.00 60.65 58.74 1xpw s ILE 117 Cb -0.15 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.23 1xpw s ILE 117 CO 0.12 -0.56 0.87 -0.63 0.00 0.00 0.00 174.94 174.74 1xpw s ILE 118 N 1.15 4.58 -0.10 2.92 1.01 0.53 -0.60 121.20 130.69 1xpw s ILE 118 Ca 0.06 0.78 -0.17 0.00 0.00 0.00 0.00 60.65 61.31 1xpw s ILE 118 Cb -0.22 -4.35 -0.14 0.00 0.01 0.00 0.00 42.46 37.76 1xpw s ILE 118 CO -0.04 -0.68 0.56 0.58 0.00 0.00 0.00 174.94 175.36 1xpw h VAL 119 N 5.96 0.91 -4.26 2.92 2.07 -1.04 0.23 116.25 123.03 1xpw h VAL 119 Ca -0.24 -1.51 -0.19 0.00 0.82 0.00 0.00 66.70 65.58 1xpw h VAL 119 Cb 1.08 1.66 -0.15 0.00 -1.52 0.00 0.00 31.29 32.36 1xpw h VAL 119 CO 0.98 0.29 -0.66 -0.94 0.02 0.00 0.00 177.57 177.26 1xpw s SER 120 N -5.75 0.52 0.32 0.57 1.04 -1.25 -4.31 113.70 104.83 1xpw s SER 120 Ca -0.11 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.20 1xpw s SER 120 Cb -0.01 0.24 -0.06 0.00 0.10 0.00 0.00 66.02 66.30 1xpw s SER 120 CO 0.40 -0.67 0.07 0.00 0.98 0.00 0.00 173.24 174.03 1xpw s ALA 121 N -3.95 2.25 0.20 5.32 0.00 -1.26 -1.61 121.76 122.71 1xpw s ALA 121 Ca 0.20 -1.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.16 1xpw s ALA 121 Cb 0.07 0.77 0.14 0.00 0.00 0.00 0.00 23.12 24.10 1xpw s ALA 121 CO -0.00 -0.35 1.62 0.74 0.00 0.00 0.00 175.76 177.76 1xpw h PHE 122 N 2.15 0.98 -4.22 0.00 0.04 -1.10 -3.45 116.94 111.35 1xpw h PHE 122 Ca -0.40 -0.21 -0.16 0.00 2.80 0.00 0.00 57.97 60.00 1xpw h PHE 122 Cb 1.25 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.13 1xpw h PHE 122 CO 0.63 0.97 -0.12 -3.47 -0.60 0.00 0.00 178.31 175.73 1xpw n ASP 123 N -4.13 2.28 -0.18 2.17 -0.08 -1.26 -5.04 116.55 110.31 1xpw n ASP 123 Ca 0.01 -1.55 0.12 0.00 -1.51 0.00 0.00 54.79 51.86 1xpw n ASP 123 Cb 0.42 0.10 0.20 0.00 2.34 0.00 0.00 41.12 44.18 1xpw n ASP 123 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1xpw n HIS 124 N -0.31 0.00 -4.14 -0.67 8.25 -1.26 -4.78 115.22 112.32 1xpw n HIS 124 Ca -0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.13 1xpw n HIS 124 Cb 0.16 -0.12 -0.17 0.00 1.12 0.00 0.00 29.99 30.98 1xpw n HIS 124 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1xpw s PHE 125 N -2.71 1.84 0.20 4.41 0.08 -1.26 -3.89 117.98 116.65 1xpw s PHE 125 Ca 0.17 -0.94 0.11 0.00 0.12 0.00 0.00 56.93 56.39 1xpw s PHE 125 Cb 0.18 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 1xpw s PHE 125 CO 0.63 -0.54 -0.21 0.00 -0.10 0.00 0.00 175.22 175.00 1xpw s ALA 126 N 1.37 2.43 -0.03 5.36 0.00 -1.26 -4.92 121.76 124.70 1xpw s ALA 126 Ca 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1xpw s ALA 126 Cb -0.13 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1xpw s ALA 126 CO -0.06 0.34 0.10 -1.12 0.00 0.00 0.00 175.76 175.01 1xpw s SER 127 N -2.85 -0.08 -0.01 0.00 0.01 -1.23 -0.94 113.70 108.59 1xpw s SER 127 Ca 0.21 0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.68 1xpw s SER 127 Cb -0.07 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 1xpw s SER 127 CO 0.10 -0.07 -0.20 0.54 0.41 0.00 0.00 173.24 174.02 1xpw s VAL 128 N -0.12 2.60 -0.15 3.43 0.11 -0.08 -2.53 120.40 123.67 1xpw s VAL 128 Ca -0.02 -1.02 0.09 0.00 -2.93 0.00 0.00 61.98 58.10 1xpw s VAL 128 Cb -0.02 -2.01 -0.15 0.00 -1.53 0.00 0.00 36.38 32.67 1xpw s VAL 128 CO 0.00 0.50 -0.01 1.57 -3.33 0.00 0.00 175.10 173.84 1xpw n HIS 129 N 2.10 0.00 -3.64 1.54 -0.00 0.42 -2.25 115.22 113.39 1xpw n HIS 129 Ca -0.17 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.95 1xpw n HIS 129 Cb 0.52 -0.67 -0.07 0.00 -0.12 0.00 0.00 29.99 29.65 1xpw n HIS 129 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1xpw s SER 130 N -4.95 -0.48 -0.16 0.26 0.15 -1.13 -4.76 113.70 102.62 1xpw s SER 130 Ca -0.11 0.87 -0.02 0.00 0.70 0.00 0.00 55.95 57.38 1xpw s SER 130 Cb 0.05 0.99 0.05 0.00 -1.71 0.00 0.00 66.02 65.40 1xpw s SER 130 CO 0.52 -0.15 0.02 -0.69 1.20 0.00 0.00 173.24 174.15 1xpw s VAL 131 N 0.63 0.48 0.08 4.45 1.01 -1.26 -0.40 120.40 125.39 1xpw s VAL 131 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1xpw s VAL 131 Cb -0.05 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1xpw s VAL 131 CO -0.10 -0.07 -0.14 -0.94 0.00 0.00 0.00 175.10 173.86 1xpw s SER 132 N 1.89 1.73 -0.23 3.32 1.04 -0.54 -4.75 113.70 116.16 1xpw s SER 132 Ca 0.01 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.76 1xpw s SER 132 Cb -0.16 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 65.94 1xpw s SER 132 CO -0.07 -0.10 -0.09 0.00 0.98 0.00 0.00 173.24 173.96 1xpw s ALA 133 N -1.53 2.64 0.23 5.32 0.00 -1.26 -0.41 121.76 126.74 1xpw s ALA 133 Ca 0.01 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.55 1xpw s ALA 133 Cb -0.08 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 1xpw s ALA 133 CO 0.02 -0.68 0.47 -1.21 0.00 0.00 0.00 175.76 174.37 1xpw s GLU 134 N 1.33 3.61 0.00 0.00 2.02 0.55 0.48 118.70 126.70 1xpw s GLU 134 Ca 0.02 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 54.92 1xpw s GLU 134 Cb -0.16 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1xpw s GLU 134 CO -0.06 0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.96 1xpw n GLY 135 N -0.59 -0.31 2.84 -1.39 0.00 -1.18 -0.79 105.19 103.77 1xpw n GLY 135 Ca -0.02 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.73 -0.10 0.07 2.61 -4.23 -0.07 -3.65 115.64 106.54 1xpw s THR 136 Ca 0.00 0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 60.46 1xpw s THR 136 Cb 0.00 -0.20 -0.05 0.00 1.34 0.00 0.00 72.50 73.59 1xpw s THR 136 CO 0.00 0.11 1.07 0.54 -0.54 0.00 0.00 174.62 175.79 1xpw s VAL 137 N 1.50 4.36 -0.23 2.29 0.11 -1.26 -0.60 120.40 126.57 1xpw s VAL 137 Ca -0.05 1.79 -0.17 0.00 -2.93 0.00 0.00 61.98 60.63 1xpw s VAL 137 Cb -0.12 -4.15 -0.13 0.00 -1.53 0.00 0.00 36.38 30.45 1xpw s VAL 137 CO -0.05 0.19 -0.13 0.52 -3.33 0.00 0.00 175.10 172.31 1xpw n VAL 138 N 3.44 1.52 -3.93 2.04 0.31 0.10 -4.92 118.33 116.89 1xpw n VAL 138 Ca 0.06 -0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 1xpw n VAL 138 Cb 0.48 -2.05 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 1xpw n VAL 138 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1xpw s SER 139 N -6.90 -0.16 0.00 4.52 0.01 -0.83 -5.04 113.70 105.30 1xpw s SER 139 Ca -0.32 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.16 1xpw s SER 139 Cb 0.09 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1xpw s SER 139 CO 0.49 -1.19 0.00 0.59 0.41 0.00 0.00 173.24 173.54 1xpw n ASN 140 N -0.40 0.00 -4.99 2.44 4.13 -1.26 -0.26 115.26 114.92 1xpw n ASN 140 Ca -0.03 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.02 1xpw n ASN 140 Cb 0.61 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.88 1xpw n ASN 140 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xpw s LEU 141 N -0.36 3.12 -0.26 3.41 1.43 -1.26 -3.05 118.68 121.71 1xpw s LEU 141 Ca 0.00 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.21 1xpw s LEU 141 Cb 0.00 -1.72 0.12 0.00 0.03 0.00 0.00 46.19 44.62 1xpw s LEU 141 CO 0.00 -1.15 0.25 -0.55 0.23 0.00 0.00 176.35 175.13 1xpw s SER 142 N -4.49 1.80 0.00 2.29 0.15 -1.26 -5.01 113.70 107.18 1xpw s SER 142 Ca 0.54 -0.63 0.31 0.00 0.70 0.00 0.00 55.95 56.87 1xpw s SER 142 Cb -0.05 0.36 1.86 0.00 -1.71 0.00 0.00 66.02 66.48 1xpw s SER 142 CO 0.33 -0.37 2.19 -1.54 1.20 0.00 0.00 173.24 175.04