#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 2.09 -3.31 2.12 1.85 -1.26 -4.54 116.66 113.61 1xpw n ARG 2 Ca 0.00 -2.00 -0.10 0.00 -1.00 0.00 0.00 57.85 54.75 1xpw n ARG 2 Cb 0.00 -1.81 -0.05 0.00 -1.05 0.00 0.00 32.46 29.54 1xpw n ARG 2 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1xpw s LYS 3 N -2.18 0.63 -0.02 2.89 2.20 -1.14 -4.24 119.74 117.88 1xpw s LYS 3 Ca 0.37 -0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 55.49 1xpw s LYS 3 Cb 0.31 -0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1xpw s LYS 3 CO 0.08 -1.16 0.07 -1.50 -0.36 0.00 0.00 175.35 172.48 1xpw s ILE 4 N 1.81 0.02 -1.11 5.43 2.07 -1.25 -4.91 121.20 123.26 1xpw s ILE 4 Ca 0.15 -0.14 -0.22 0.00 -1.41 0.00 0.00 60.65 59.03 1xpw s ILE 4 Cb -0.12 -0.16 0.04 0.00 0.13 0.00 0.00 42.46 42.36 1xpw s ILE 4 CO -0.11 -0.08 1.62 -1.81 -1.91 0.00 0.00 174.94 172.66 1xpw s ASP 5 N -0.21 6.39 0.00 4.50 1.11 -1.26 -3.57 116.67 123.62 1xpw s ASP 5 Ca -0.03 -1.71 0.18 0.00 0.18 0.00 0.00 52.55 51.17 1xpw s ASP 5 Cb -0.02 -2.57 0.85 0.00 1.07 0.00 0.00 42.92 42.25 1xpw s ASP 5 CO 0.00 -1.61 1.55 0.18 1.18 0.00 0.00 175.17 176.47 1xpw n LEU 6 N 9.54 0.00 -0.39 1.23 4.77 -0.82 -2.36 117.00 128.97 1xpw n LEU 6 Ca 0.40 0.36 0.12 0.00 -0.03 0.00 0.00 56.01 56.86 1xpw n LEU 6 Cb 0.49 -0.36 0.26 0.00 -2.33 0.00 0.00 43.42 41.48 1xpw n LEU 6 CO 0.69 -0.14 0.56 0.00 -1.33 0.00 0.00 177.39 177.17 1xpw s LEU 8 N -2.41 3.83 0.54 0.00 1.43 -1.00 -4.48 118.68 116.59 1xpw s LEU 8 Ca 0.24 2.23 0.33 0.00 -1.03 0.00 0.00 54.13 55.90 1xpw s LEU 8 Cb 0.19 -4.47 1.36 0.00 0.03 0.00 0.00 46.19 43.30 1xpw s LEU 8 CO 0.51 -1.14 1.99 0.77 0.23 0.00 0.00 176.35 178.70 1xpw h SER 9 N 1.46 0.00 1.13 2.29 4.64 -1.73 -0.94 113.55 120.40 1xpw h SER 9 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 1xpw h SER 9 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1xpw h SER 9 CO 0.58 0.04 -0.05 -1.28 -0.87 0.00 0.00 176.83 175.25 1xpw h SER 10 N 0.00 0.00 -0.50 4.97 0.87 -1.90 -0.99 113.55 115.99 1xpw h SER 10 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xpw h SER 10 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1xpw h SER 10 CO 0.00 0.05 0.00 -0.62 -0.53 0.00 0.00 176.83 175.73 1xpw n GLU 11 N -3.15 2.30 -1.00 2.24 -0.58 -0.39 -4.90 120.64 115.15 1xpw n GLU 11 Ca 0.01 -1.85 -0.00 0.00 -0.42 0.00 0.00 57.16 54.89 1xpw n GLU 11 Cb 0.36 -1.45 -0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 1.23 0.44 3.80 0.62 0.00 -0.38 -4.85 105.19 106.05 1xpw n GLY 12 Ca 0.17 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.59 7.21 0.11 1.61 0.01 -1.00 -4.60 113.70 114.45 1xpw s SER 13 Ca 0.00 1.50 0.05 0.00 1.31 0.00 0.00 55.95 58.82 1xpw s SER 13 Cb 0.00 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 1xpw s SER 13 CO 0.00 0.15 -0.13 -1.61 0.41 0.00 0.00 173.24 172.05 1xpw s GLU 14 N -1.48 0.94 0.00 12.44 2.02 -0.78 -4.21 118.70 127.63 1xpw s GLU 14 Ca 0.38 -1.16 0.01 0.00 0.02 0.00 0.00 54.97 54.22 1xpw s GLU 14 Cb -0.20 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.18 1xpw s GLU 14 CO 0.23 0.16 0.02 0.14 0.02 0.00 0.00 175.26 175.83 1xpw s VAL 15 N -2.00 4.30 0.12 2.63 -7.23 -1.26 -0.38 120.40 116.58 1xpw s VAL 15 Ca 0.06 -0.57 0.05 0.00 -1.81 0.00 0.00 61.98 59.70 1xpw s VAL 15 Cb -0.06 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 1xpw s VAL 15 CO 0.02 0.35 -0.11 -0.51 -0.31 0.00 0.00 175.10 174.54 1xpw s ILE 16 N -1.13 1.11 0.00 -0.62 2.07 0.52 -4.95 121.20 118.20 1xpw s ILE 16 Ca 0.21 -1.78 0.00 0.00 -1.41 0.00 0.00 60.65 57.67 1xpw s ILE 16 Cb -0.12 -1.54 0.00 0.00 0.13 0.00 0.00 42.46 40.93 1xpw s ILE 16 CO 0.12 -0.57 0.00 0.18 -1.91 0.00 0.00 174.94 172.76 1xpw n LEU 17 N 0.34 0.00 -2.82 8.50 4.32 -1.26 -1.95 117.00 124.13 1xpw n LEU 17 Ca -0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.83 1xpw n LEU 17 Cb 0.58 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.37 1xpw n LEU 17 CO 0.28 0.00 -0.50 0.00 -1.22 0.00 0.00 177.39 175.96 1xpw n ALA 18 N 3.31 -3.02 0.33 -1.18 0.00 -1.20 -4.82 120.51 113.93 1xpw n ALA 18 Ca 0.00 0.79 0.21 0.00 0.00 0.00 0.00 53.44 54.44 1xpw n ALA 18 Cb 0.00 -1.70 1.11 0.00 0.00 0.00 0.00 19.45 18.86 1xpw n ALA 18 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xpw h THR 19 N 3.59 0.04 -3.37 0.00 2.02 -1.47 -3.39 112.91 110.33 1xpw h THR 19 Ca -0.13 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.46 1xpw h THR 19 Cb 0.49 0.91 -0.33 0.00 -1.74 0.00 0.00 68.15 67.48 1xpw h THR 19 CO 0.05 0.00 -0.85 -0.44 0.37 0.00 0.00 175.52 174.65 1xpw s SER 20 N -5.04 2.43 -0.19 4.18 0.01 -1.26 -4.90 113.70 108.93 1xpw s SER 20 Ca -0.05 -0.43 -0.13 0.00 1.31 0.00 0.00 55.95 56.66 1xpw s SER 20 Cb 0.12 -1.12 0.06 0.00 0.21 0.00 0.00 66.02 65.29 1xpw s SER 20 CO 0.39 0.09 0.47 -0.55 0.41 0.00 0.00 173.24 174.05 1xpw s SER 21 N 0.53 -0.57 0.21 2.44 0.15 -1.26 -4.89 113.70 110.31 1xpw s SER 21 Ca -0.16 1.00 0.10 0.00 0.70 0.00 0.00 55.95 57.59 1xpw s SER 21 Cb -0.17 0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 65.02 1xpw s SER 21 CO 0.06 -0.19 -0.14 -0.62 1.20 0.00 0.00 173.24 173.55 1xpw s ASP 22 N 1.06 3.97 0.04 5.45 -1.08 -1.04 -5.05 116.67 120.01 1xpw s ASP 22 Ca -0.06 -0.74 -0.12 0.00 -0.52 0.00 0.00 52.55 51.10 1xpw s ASP 22 Cb -0.06 -0.54 -0.34 0.00 -1.46 0.00 0.00 42.92 40.52 1xpw s ASP 22 CO -0.09 0.08 1.03 -0.08 0.52 0.00 0.00 175.17 176.63 1xpw h GLU 23 N 2.73 0.46 0.00 4.34 4.57 -2.02 -3.14 114.58 121.53 1xpw h GLU 23 Ca -0.45 -0.79 -0.22 0.00 -1.18 0.00 0.00 59.36 56.72 1xpw h GLU 23 Cb 1.22 0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 30.07 1xpw h GLU 23 CO 0.54 1.38 -1.13 0.87 -1.18 0.00 0.00 179.01 179.49 1xpw h LYS 24 N 0.13 0.00 -3.40 1.92 6.56 -2.04 -3.37 116.57 116.37 1xpw h LYS 24 Ca -0.22 0.00 -0.70 0.00 -1.06 0.00 0.00 60.65 58.66 1xpw h LYS 24 Cb 2.11 0.00 -0.35 0.00 -0.57 0.00 0.00 32.23 33.42 1xpw h LYS 24 CO 0.25 0.87 -0.18 -1.01 -2.06 0.00 0.00 179.45 177.32 1xpw s HIS 25 N -2.70 3.74 0.39 -1.35 3.76 -1.24 -5.01 115.29 112.88 1xpw s HIS 25 Ca -0.00 -2.92 -0.23 0.00 -0.15 0.00 0.00 55.06 51.76 1xpw s HIS 25 Cb 0.09 -3.23 -0.11 0.00 1.11 0.00 0.00 32.58 30.45 1xpw s HIS 25 CO 0.82 -0.77 0.94 -1.25 -0.85 0.00 0.00 174.74 173.63 1xpw s PRO 26 N -0.94 4.35 0.00 8.40 0.04 -1.19 -2.51 135.00 143.17 1xpw s PRO 26 Ca 0.24 1.19 0.06 0.00 0.04 0.00 0.00 61.00 62.53 1xpw s PRO 26 Cb -0.11 -2.41 0.36 0.00 0.04 0.00 0.00 34.50 32.39 1xpw s PRO 26 CO -0.10 0.09 0.80 -2.30 0.04 0.00 0.00 177.00 175.52 1xpw n PRO 27 N -0.20 0.44 0.10 0.56 -0.02 -1.26 -2.34 135.00 132.28 1xpw n PRO 27 Ca 0.05 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.54 1xpw n PRO 27 Cb 0.53 -1.22 -0.02 0.00 -0.02 0.00 0.00 33.50 32.77 1xpw n PRO 27 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xpw h GLU 28 N 0.00 0.00 0.00 -0.52 4.81 -1.97 -3.32 114.58 113.57 1xpw h GLU 28 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xpw h GLU 28 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xpw h GLU 28 CO 0.00 0.47 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.39 1xpw h ASN 29 N 0.00 0.00 0.50 1.04 2.35 -1.78 -3.23 115.58 114.46 1xpw h ASN 29 Ca -0.06 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.48 1xpw h ASN 29 Cb 1.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.84 1xpw h ASN 29 CO 0.06 0.03 -0.67 -0.29 -1.65 0.00 0.00 177.43 174.92 1xpw h ILE 30 N 0.00 1.43 -0.75 2.81 2.10 -1.73 0.44 117.51 121.82 1xpw h ILE 30 Ca 0.00 -2.18 -0.05 0.00 1.08 0.00 0.00 64.86 63.71 1xpw h ILE 30 Cb 0.88 2.15 -0.03 0.00 -1.09 0.00 0.00 36.82 38.72 1xpw h ILE 30 CO 0.00 0.63 0.28 0.40 -1.08 0.00 0.00 178.15 178.38 1xpw h ILE 31 N 0.10 1.26 0.00 2.19 2.04 -1.69 -3.09 117.51 118.32 1xpw h ILE 31 Ca -0.01 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1xpw h ILE 31 Cb 1.19 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1xpw h ILE 31 CO 0.10 0.33 -1.52 -0.67 0.00 0.00 0.00 178.15 176.39 1xpw n ASP 32 N -4.31 0.45 -1.36 1.72 2.03 -1.20 -3.63 116.55 110.24 1xpw n ASP 32 Ca 0.06 0.18 -0.02 0.00 0.52 0.00 0.00 54.79 55.53 1xpw n ASP 32 Cb 0.20 1.12 0.01 0.00 -0.72 0.00 0.00 41.12 41.73 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 1.25 0.35 3.64 0.27 0.00 0.03 -4.88 105.19 105.86 1xpw n GLY 33 Ca -0.04 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.18 6.75 0.67 1.61 0.01 -0.55 -4.90 114.94 115.36 1xpw s ASN 34 Ca 0.00 0.92 0.44 0.00 -0.71 0.00 0.00 52.86 53.51 1xpw s ASN 34 Cb -0.00 -2.41 2.38 0.00 0.41 0.00 0.00 41.25 41.63 1xpw s ASN 34 CO 0.10 -0.48 2.35 1.55 -1.51 0.00 0.00 177.10 179.11 1xpw h PRO 35 N 7.76 0.00 -0.20 -0.60 0.13 -1.91 -1.00 132.00 136.20 1xpw h PRO 35 Ca -0.24 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 1xpw h PRO 35 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1xpw h PRO 35 CO 0.85 0.00 -0.07 1.49 -0.23 0.00 0.00 178.00 180.03 1xpw h GLU 36 N 0.00 0.30 -3.07 0.86 4.81 -1.97 -3.41 114.58 112.10 1xpw h GLU 36 Ca 0.00 -0.06 -0.38 0.00 -0.13 0.00 0.00 59.36 58.79 1xpw h GLU 36 Cb 0.04 -0.05 -0.39 0.00 0.63 0.00 0.00 28.75 28.99 1xpw h GLU 36 CO -0.00 0.39 -0.71 0.99 -0.73 0.00 0.00 179.01 178.95 1xpw s THR 37 N -4.84 -0.16 -0.03 0.32 2.01 -0.38 -5.10 115.64 107.46 1xpw s THR 37 Ca -0.06 0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 1xpw s THR 37 Cb 0.16 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1xpw s THR 37 CO 0.73 -0.03 0.25 0.72 -0.69 0.00 0.00 174.62 175.60 1xpw s PHE 38 N 2.21 3.60 -0.12 4.92 -0.71 -1.26 -4.45 117.98 122.17 1xpw s PHE 38 Ca 0.04 0.61 -0.07 0.00 -1.04 0.00 0.00 56.93 56.46 1xpw s PHE 38 Cb -0.14 -2.01 -0.04 0.00 -1.21 0.00 0.00 43.02 39.62 1xpw s PHE 38 CO -0.07 0.65 0.14 -0.46 -1.34 0.00 0.00 175.22 174.15 1xpw s TRP 39 N -1.20 3.60 0.17 3.49 -0.00 -1.26 -4.96 118.94 118.78 1xpw s TRP 39 Ca 0.24 0.53 -0.08 0.00 -0.00 0.00 0.00 56.10 56.78 1xpw s TRP 39 Cb -0.13 -1.95 -0.01 0.00 -0.00 0.00 0.00 33.47 31.37 1xpw s TRP 39 CO 0.12 0.73 0.27 -0.08 -0.00 0.00 0.00 176.95 178.00 1xpw s THR 40 N -0.99 0.06 0.32 5.86 -1.32 -1.26 -2.98 115.64 115.32 1xpw s THR 40 Ca 0.15 -1.44 -0.27 0.00 -1.21 0.00 0.00 61.69 58.92 1xpw s THR 40 Cb -0.12 -1.89 -0.09 0.00 -1.51 0.00 0.00 72.50 68.89 1xpw s THR 40 CO 0.04 -0.28 1.03 0.42 -2.21 0.00 0.00 174.62 173.62 1xpw s THR 41 N -3.98 3.77 -2.11 5.08 -4.23 -1.14 -4.85 115.64 108.17 1xpw s THR 41 Ca 0.18 1.60 0.25 0.00 -1.18 0.00 0.00 61.69 62.54 1xpw s THR 41 Cb 0.03 -3.94 0.65 0.00 1.34 0.00 0.00 72.50 70.58 1xpw s THR 41 CO 0.01 0.24 1.86 0.35 -0.54 0.00 0.00 174.62 176.54 1xpw n THR 42 N 0.76 0.03 0.00 3.99 -2.24 -1.26 -4.55 114.28 111.01 1xpw n THR 42 Ca 0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1xpw n THR 42 Cb 0.47 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.97 2.05 3.50 3.38 0.00 -1.23 -5.05 105.19 108.80 1xpw n GLY 43 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1xpw n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xpw s MET 44 N -0.25 3.27 0.06 1.61 -1.94 -1.26 -5.00 119.30 115.78 1xpw s MET 44 Ca 0.00 -0.45 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1xpw s MET 44 Cb 0.00 -4.08 -0.04 0.00 2.01 0.00 0.00 34.83 32.72 1xpw s MET 44 CO 0.00 -1.48 0.04 -0.06 -0.01 0.00 0.00 175.02 173.51 1xpw s PHE 45 N 3.72 3.11 0.70 -0.03 0.08 -1.26 -3.87 117.98 120.43 1xpw s PHE 45 Ca 0.27 0.05 -0.14 0.00 0.12 0.00 0.00 56.93 57.22 1xpw s PHE 45 Cb -0.14 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1xpw s PHE 45 CO 0.17 0.50 1.13 -2.14 -0.10 0.00 0.00 175.22 174.77 1xpw s PRO 46 N -2.19 2.53 -0.18 0.24 0.02 -1.26 -5.09 135.00 129.08 1xpw s PRO 46 Ca 0.26 1.44 -0.05 0.00 0.02 0.00 0.00 61.00 62.66 1xpw s PRO 46 Cb -0.12 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 1xpw s PRO 46 CO 0.18 -1.47 0.01 -1.14 -0.33 0.00 0.00 177.00 174.26 1xpw s GLN 47 N -4.19 3.75 -0.12 5.54 2.00 0.05 -4.94 119.66 121.75 1xpw s GLN 47 Ca 0.68 -0.46 0.01 0.00 -2.00 0.00 0.00 55.36 53.58 1xpw s GLN 47 Cb -0.22 -3.08 -0.01 0.00 0.80 0.00 0.00 33.01 30.50 1xpw s GLN 47 CO 0.45 0.16 -0.17 -1.21 -0.50 0.00 0.00 175.29 174.02 1xpw s GLU 48 N 0.63 3.27 -0.13 1.67 2.02 -1.26 -0.40 118.70 124.49 1xpw s GLU 48 Ca 0.00 -0.75 -0.06 0.00 0.02 0.00 0.00 54.97 54.18 1xpw s GLU 48 Cb -0.14 -2.53 0.05 0.00 0.10 0.00 0.00 34.13 31.61 1xpw s GLU 48 CO 0.02 0.18 0.30 -0.59 0.02 0.00 0.00 175.26 175.19 1xpw s PHE 49 N 0.41 -0.45 -0.18 1.61 -0.71 -1.03 -1.09 117.98 116.54 1xpw s PHE 49 Ca -0.13 0.99 -0.06 0.00 -1.04 0.00 0.00 56.93 56.70 1xpw s PHE 49 Cb -0.16 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 1xpw s PHE 49 CO 0.06 -0.30 0.02 0.42 -1.34 0.00 0.00 175.22 174.08 1xpw s ILE 50 N 1.55 4.26 -0.25 -4.49 1.01 -0.82 -1.24 121.20 121.21 1xpw s ILE 50 Ca -0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 1xpw s ILE 50 Cb -0.10 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1xpw s ILE 50 CO -0.10 0.45 0.08 -0.63 0.00 0.00 0.00 174.94 174.74 1xpw s ILE 51 N 0.64 4.37 -0.18 2.92 1.01 0.47 -0.36 121.20 130.07 1xpw s ILE 51 Ca 0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 1xpw s ILE 51 Cb -0.14 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1xpw s ILE 51 CO 0.02 0.32 0.38 0.00 0.00 0.00 0.00 174.94 175.67 1xpw h PHE 53 N 7.09 0.00 -1.09 0.00 0.04 -1.19 -2.08 116.94 119.72 1xpw h PHE 53 Ca -0.38 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.05 1xpw h PHE 53 Cb 1.17 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.20 1xpw h PHE 53 CO 0.65 0.16 -0.33 1.58 -0.60 0.00 0.00 178.31 179.77 1xpw n HIS 54 N -3.55 -0.15 -3.85 -0.55 -0.00 -1.26 -4.22 115.22 101.64 1xpw n HIS 54 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.68 1xpw n HIS 54 Cb 0.30 -2.95 0.01 0.00 -0.00 0.00 0.00 29.99 27.35 1xpw n HIS 54 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1xpw s LYS 55 N -3.68 1.26 -0.38 1.57 -2.85 -1.26 -3.40 119.74 111.00 1xpw s LYS 55 Ca 0.00 -0.79 -0.10 0.00 -1.00 0.00 0.00 55.97 54.08 1xpw s LYS 55 Cb 0.00 0.37 0.04 0.00 -2.06 0.00 0.00 37.83 36.17 1xpw s LYS 55 CO 0.00 -0.59 0.21 -1.01 0.10 0.00 0.00 175.35 174.06 1xpw s HIS 56 N -2.41 3.26 0.24 1.78 3.76 0.19 -4.71 115.29 117.40 1xpw s HIS 56 Ca 0.20 -1.07 0.05 0.00 -0.15 0.00 0.00 55.06 54.09 1xpw s HIS 56 Cb -0.02 -2.49 -0.05 0.00 1.11 0.00 0.00 32.58 31.13 1xpw s HIS 56 CO 0.04 -0.68 -0.05 0.14 -0.85 0.00 0.00 174.74 173.34 1xpw s VAL 57 N 1.53 1.38 -0.13 -0.90 -7.23 -1.26 0.09 120.40 113.88 1xpw s VAL 57 Ca 0.02 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 1xpw s VAL 57 Cb -0.20 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.43 1xpw s VAL 57 CO 0.06 -0.37 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.71 1xpw s ARG 58 N -3.77 2.48 0.03 4.82 3.52 0.38 -3.80 118.95 122.60 1xpw s ARG 58 Ca 0.27 -0.65 -0.19 0.00 -0.13 0.00 0.00 55.73 55.04 1xpw s ARG 58 Cb 0.04 -2.10 -0.06 0.00 -1.56 0.00 0.00 34.95 31.27 1xpw s ARG 58 CO 0.09 -0.09 0.54 0.42 -0.81 0.00 0.00 175.30 175.45 1xpw s ILE 59 N 1.05 4.86 -0.24 4.11 1.01 0.30 -1.71 121.20 130.59 1xpw s ILE 59 Ca -0.04 1.13 -0.12 0.00 0.00 0.00 0.00 60.65 61.63 1xpw s ILE 59 Cb -0.15 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.36 1xpw s ILE 59 CO -0.04 0.51 -0.30 -0.62 0.00 0.00 0.00 174.94 174.49 1xpw n GLU 60 N 2.10 0.50 -4.01 2.79 -0.58 -0.36 -2.75 120.64 118.33 1xpw n GLU 60 Ca -0.10 0.22 -0.08 0.00 -0.42 0.00 0.00 57.16 56.78 1xpw n GLU 60 Cb 0.51 -1.34 -0.10 0.00 -0.57 0.00 0.00 31.44 29.95 1xpw n GLU 60 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1xpw s ARG 61 N -2.43 0.59 -0.13 3.49 0.52 -0.42 -1.65 118.95 118.91 1xpw s ARG 61 Ca -0.33 -0.99 -0.02 0.00 -0.52 0.00 0.00 55.73 53.87 1xpw s ARG 61 Cb 0.13 0.22 -0.03 0.00 0.52 0.00 0.00 34.95 35.79 1xpw s ARG 61 CO 0.42 -0.13 -0.06 -0.51 0.02 0.00 0.00 175.30 175.04 1xpw s LEU 62 N -2.51 3.17 -0.34 2.53 1.43 0.50 -0.58 118.68 122.88 1xpw s LEU 62 Ca 0.01 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1xpw s LEU 62 Cb 0.03 -1.74 0.07 0.00 0.03 0.00 0.00 46.19 44.59 1xpw s LEU 62 CO -0.08 0.23 0.08 -0.69 0.23 0.00 0.00 176.35 176.12 1xpw s VAL 63 N -0.01 3.09 -0.24 -1.59 1.01 0.41 -0.40 120.40 122.67 1xpw s VAL 63 Ca 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 61.98 60.32 1xpw s VAL 63 Cb -0.13 -2.93 0.04 0.00 0.00 0.00 0.00 36.38 33.36 1xpw s VAL 63 CO 0.03 -0.35 -0.11 -0.63 0.00 0.00 0.00 175.10 174.04 1xpw s ILE 64 N 1.20 2.42 -0.50 2.22 1.01 -0.57 -1.16 121.20 125.82 1xpw s ILE 64 Ca 0.01 -1.22 -0.15 0.00 0.00 0.00 0.00 60.65 59.29 1xpw s ILE 64 Cb -0.21 -2.25 0.10 0.00 0.01 0.00 0.00 42.46 40.12 1xpw s ILE 64 CO -0.02 0.20 0.44 -1.10 0.00 0.00 0.00 174.94 174.46 1xpw s GLN 65 N 1.24 2.93 0.01 2.79 -0.21 -0.39 -0.62 119.66 125.40 1xpw s GLN 65 Ca -0.02 -1.56 0.04 0.00 0.02 0.00 0.00 55.36 53.84 1xpw s GLN 65 Cb -0.17 -4.18 -0.01 0.00 1.00 0.00 0.00 33.01 29.64 1xpw s GLN 65 CO -0.07 -1.19 -0.12 -1.54 -2.12 0.00 0.00 175.29 170.25 1xpw s SER 66 N 3.08 1.45 -0.04 5.90 1.04 -1.26 0.19 113.70 124.06 1xpw s SER 66 Ca 0.04 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1xpw s SER 66 Cb -0.27 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 1xpw s SER 66 CO 0.04 0.09 -0.07 -0.47 0.98 0.00 0.00 173.24 173.82 1xpw s TYR 67 N -0.52 2.92 0.00 5.02 5.04 0.61 -4.59 117.35 125.83 1xpw s TYR 67 Ca 0.03 0.00 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 1xpw s TYR 67 Cb -0.06 -1.67 0.00 0.00 0.35 0.00 0.00 41.96 40.58 1xpw s TYR 67 CO 0.00 0.35 0.00 1.19 -1.34 0.00 0.00 175.55 175.76 1xpw n PHE 68 N 1.92 0.00 -2.24 4.97 3.72 -1.26 -3.06 117.46 121.51 1xpw n PHE 68 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1xpw n PHE 68 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1xpw n PHE 68 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xpw n VAL 69 N 0.00 0.00 0.00 -4.37 0.31 -1.26 -4.71 118.33 108.30 1xpw n VAL 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xpw n VAL 69 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1xpw n VAL 69 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xpw n GLN 70 N 0.00 0.00 -3.92 5.55 7.27 -1.21 -0.36 117.38 124.72 1xpw n GLN 70 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 1xpw n GLN 70 Cb 0.00 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.51 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 0.00 2.77 -0.29 1.69 2.01 -0.91 -1.17 115.64 119.74 1xpw s THR 71 Ca 0.00 -1.86 -0.05 0.00 0.31 0.00 0.00 61.69 60.09 1xpw s THR 71 Cb 0.00 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.73 1xpw s THR 71 CO 0.00 -0.39 0.04 -0.22 -0.69 0.00 0.00 174.62 173.36 1xpw s LEU 72 N 1.11 3.70 -0.41 4.42 2.96 -0.02 -1.60 118.68 128.84 1xpw s LEU 72 Ca 0.02 -0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 52.96 1xpw s LEU 72 Cb -0.20 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1xpw s LEU 72 CO -0.04 -0.18 0.53 -0.75 -1.32 0.00 0.00 176.35 174.59 1xpw s LYS 73 N 1.44 3.31 -0.56 1.98 2.20 0.25 -0.37 119.74 127.99 1xpw s LYS 73 Ca 0.01 -0.45 -0.20 0.00 -0.36 0.00 0.00 55.97 54.97 1xpw s LYS 73 Cb -0.17 -3.92 0.08 0.00 -1.51 0.00 0.00 37.83 32.31 1xpw s LYS 73 CO 0.01 -0.85 0.72 0.42 -0.36 0.00 0.00 175.35 175.28 1xpw s ILE 74 N 2.46 4.76 -0.13 5.43 1.01 0.46 -0.43 121.20 134.76 1xpw s ILE 74 Ca 0.18 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1xpw s ILE 74 Cb -0.15 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 1xpw s ILE 74 CO 0.16 -1.03 0.08 -0.70 0.00 0.00 0.00 174.94 173.45 1xpw s GLU 75 N 2.91 3.50 0.10 2.79 2.12 -0.63 -2.07 118.70 127.43 1xpw s GLU 75 Ca 0.16 -0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.26 1xpw s GLU 75 Cb -0.20 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1xpw s GLU 75 CO 0.10 0.60 0.06 -1.59 -0.54 0.00 0.00 175.26 173.89 1xpw s LYS 76 N -0.54 2.77 -0.01 4.30 -2.85 -0.15 -0.40 119.74 122.86 1xpw s LYS 76 Ca 0.11 -0.77 -0.04 0.00 -1.00 0.00 0.00 55.97 54.26 1xpw s LYS 76 Cb -0.12 -2.65 0.00 0.00 -2.06 0.00 0.00 37.83 33.01 1xpw s LYS 76 CO 0.02 0.54 0.09 0.45 0.10 0.00 0.00 175.35 176.56 1xpw s SER 77 N -2.49 -0.00 -0.13 0.03 0.15 0.41 -0.38 113.70 111.29 1xpw s SER 77 Ca 0.28 -0.06 0.18 0.00 0.70 0.00 0.00 55.95 57.06 1xpw s SER 77 Cb -0.12 0.19 0.28 0.00 -1.71 0.00 0.00 66.02 64.67 1xpw s SER 77 CO 0.21 -0.20 1.14 0.35 1.20 0.00 0.00 173.24 175.95 1xpw n THR 78 N 2.23 1.83 -2.49 6.45 -2.24 -1.26 -0.25 114.28 118.55 1xpw n THR 78 Ca -0.18 -2.20 -0.23 0.00 -2.27 0.00 0.00 64.05 59.18 1xpw n THR 78 Cb 0.57 -0.21 0.05 0.00 -2.10 0.00 0.00 70.33 68.64 1xpw n THR 78 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xpw s SER 79 N -2.81 5.06 0.11 3.42 0.01 -1.26 -4.82 113.70 113.41 1xpw s SER 79 Ca 0.31 0.12 0.17 0.00 1.31 0.00 0.00 55.95 57.86 1xpw s SER 79 Cb 0.27 -0.89 -0.09 0.00 0.21 0.00 0.00 66.02 65.51 1xpw s SER 79 CO 0.03 -1.34 0.93 0.11 0.41 0.00 0.00 173.24 173.38 1xpw h LYS 80 N -0.19 0.00 -6.55 12.44 1.57 -1.97 -3.43 116.57 118.44 1xpw h LYS 80 Ca -0.42 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.85 1xpw h LYS 80 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1xpw h LYS 80 CO 0.54 0.27 -0.11 -1.21 -0.57 0.00 0.00 179.45 178.37 1xpw s GLU 81 N -2.99 3.61 0.00 3.15 8.01 -1.26 -4.97 118.70 124.25 1xpw s GLU 81 Ca -0.02 -0.01 0.00 0.00 0.01 0.00 0.00 54.97 54.95 1xpw s GLU 81 Cb 0.09 -2.61 0.00 0.00 -4.31 0.00 0.00 34.13 27.29 1xpw s GLU 81 CO 0.80 0.15 1.42 -0.35 0.01 0.00 0.00 175.26 177.29 1xpw n PRO 82 N -1.21 0.84 -4.38 0.39 -0.04 -1.26 -4.81 135.00 124.53 1xpw n PRO 82 Ca -0.02 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.25 1xpw n PRO 82 Cb 0.54 -1.08 -0.10 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.27 0.76 -0.14 0.52 -7.23 -1.26 -5.02 120.40 108.30 1xpw s VAL 83 Ca 0.00 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.07 1xpw s VAL 83 Cb 0.00 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.31 1xpw s VAL 83 CO 0.00 0.00 0.19 -0.67 -0.31 0.00 0.00 175.10 174.31 1xpw n ASP 84 N -0.62 -0.68 -4.65 4.85 2.03 -1.26 -4.64 116.55 111.58 1xpw n ASP 84 Ca -0.01 1.00 -0.23 0.00 0.52 0.00 0.00 54.79 56.07 1xpw n ASP 84 Cb 0.66 -4.17 -0.08 0.00 -0.72 0.00 0.00 41.12 36.81 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 -0.49 2.63 -0.03 -0.67 0.08 -1.26 -4.52 117.98 113.71 1xpw s PHE 85 Ca -0.22 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 1xpw s PHE 85 Cb 0.01 -1.35 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 1xpw s PHE 85 CO 0.59 0.53 0.07 -2.00 -0.10 0.00 0.00 175.22 174.31 1xpw s GLU 86 N -3.71 0.05 0.23 0.44 2.12 0.49 -4.99 118.70 113.32 1xpw s GLU 86 Ca 0.34 0.16 -0.30 0.00 0.36 0.00 0.00 54.97 55.52 1xpw s GLU 86 Cb -0.04 -0.07 -0.10 0.00 0.26 0.00 0.00 34.13 34.18 1xpw s GLU 86 CO 0.20 -0.08 1.43 -1.14 -0.54 0.00 0.00 175.26 175.13 1xpw s GLN 87 N 0.49 4.29 0.00 4.30 -0.44 -1.26 -0.98 119.66 126.06 1xpw s GLN 87 Ca -0.04 2.25 0.00 0.00 -2.50 0.00 0.00 55.36 55.08 1xpw s GLN 87 Cb -0.05 -3.13 0.00 0.00 -1.64 0.00 0.00 33.01 28.18 1xpw s GLN 87 CO -0.02 -0.41 0.00 1.87 0.50 0.00 0.00 175.29 177.24 1xpw n TRP 88 N 2.59 0.00 -3.60 1.67 -0.00 -1.22 -4.84 117.44 112.03 1xpw n TRP 88 Ca 0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.31 1xpw n TRP 88 Cb 0.41 0.14 -0.17 0.00 -0.00 0.00 0.00 31.31 31.69 1xpw n TRP 88 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1xpw s ILE 89 N -0.52 -0.07 -0.30 5.87 1.01 -0.88 -5.04 121.20 121.27 1xpw s ILE 89 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 1xpw s ILE 89 Cb 0.00 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 1xpw s ILE 89 CO 0.00 -0.34 0.31 -1.61 0.00 0.00 0.00 174.94 173.30 1xpw s GLU 90 N 2.13 3.84 -0.31 2.79 8.01 -1.26 -0.40 118.70 133.49 1xpw s GLU 90 Ca 0.03 -0.23 -0.07 0.00 0.01 0.00 0.00 54.97 54.72 1xpw s GLU 90 Cb -0.16 -3.71 0.02 0.00 -4.31 0.00 0.00 34.13 25.97 1xpw s GLU 90 CO -0.13 -0.33 0.09 0.15 0.01 0.00 0.00 175.26 175.05 1xpw s LYS 91 N 1.95 2.92 -0.45 1.61 -0.14 0.50 -4.96 119.74 121.18 1xpw s LYS 91 Ca 0.11 -0.97 -0.12 0.00 -1.36 0.00 0.00 55.97 53.63 1xpw s LYS 91 Cb -0.16 -3.41 0.08 0.00 -1.68 0.00 0.00 37.83 32.66 1xpw s LYS 91 CO 0.11 -0.53 0.32 0.34 -0.76 0.00 0.00 175.35 174.84 1xpw s ASP 92 N 1.47 5.85 0.24 2.83 2.15 -1.26 -0.84 116.67 127.10 1xpw s ASP 92 Ca 0.01 -1.47 0.06 0.00 0.43 0.00 0.00 52.55 51.58 1xpw s ASP 92 Cb -0.18 -2.07 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 1xpw s ASP 92 CO 0.03 -0.60 0.26 -1.48 -0.17 0.00 0.00 175.17 173.20 1xpw s LEU 93 N 1.51 4.03 0.06 -1.34 0.05 -0.32 -5.00 118.68 117.66 1xpw s LEU 93 Ca 0.04 -0.11 -0.22 0.00 0.05 0.00 0.00 54.13 53.89 1xpw s LEU 93 Cb -0.24 -2.57 -0.06 0.00 -2.05 0.00 0.00 46.19 41.27 1xpw s LEU 93 CO 0.04 -0.04 0.67 -0.69 -0.55 0.00 0.00 176.35 175.78 1xpw s VAL 94 N -2.04 4.71 -0.37 1.48 1.01 -1.26 -4.78 120.40 119.16 1xpw s VAL 94 Ca 0.33 1.43 -0.27 0.00 0.00 0.00 0.00 61.98 63.47 1xpw s VAL 94 Cb -0.09 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1xpw s VAL 94 CO 0.26 0.46 2.21 -2.28 0.00 0.00 0.00 175.10 175.76 1xpw s HIS 95 N -0.59 1.24 -0.09 5.22 2.46 -1.26 -4.94 115.29 117.33 1xpw s HIS 95 Ca 0.33 0.96 -0.30 0.00 0.47 0.00 0.00 55.06 56.53 1xpw s HIS 95 Cb -0.20 -3.83 -0.02 0.00 -0.13 0.00 0.00 32.58 28.40 1xpw s HIS 95 CO 0.21 -3.22 1.10 0.95 -2.47 0.00 0.00 174.74 171.31 1xpw s THR 96 N 9.70 4.53 -0.28 0.89 -4.23 -1.26 -5.02 115.64 119.96 1xpw s THR 96 Ca 0.94 1.82 -0.10 0.00 -1.18 0.00 0.00 61.69 63.17 1xpw s THR 96 Cb -0.24 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.38 1xpw s THR 96 CO 0.30 -0.01 0.17 -0.70 -0.54 0.00 0.00 174.62 173.84 1xpw s GLU 97 N 2.16 3.86 -1.38 3.99 2.56 -1.26 -4.30 118.70 124.34 1xpw s GLU 97 Ca 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 54.97 55.12 1xpw s GLU 97 Cb -0.21 -3.60 0.00 0.00 2.00 0.00 0.00 34.13 32.32 1xpw s GLU 97 CO 0.19 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.11 1xpw n GLY 98 N 5.03 0.15 3.20 -1.50 0.00 -1.26 -4.98 105.19 105.83 1xpw n GLY 98 Ca -0.14 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.43 0.36 -0.71 1.61 2.00 -1.26 -5.10 119.66 112.13 1xpw s GLN 99 Ca 0.00 0.57 -0.25 0.00 -2.00 0.00 0.00 55.36 53.68 1xpw s GLN 99 Cb 0.00 0.07 0.05 0.00 0.80 0.00 0.00 33.01 33.93 1xpw s GLN 99 CO 0.00 -0.10 1.15 -0.51 -0.50 0.00 0.00 175.29 175.33 1xpw s LEU 100 N 0.73 3.65 -0.49 3.68 1.43 -1.26 -4.79 118.68 121.63 1xpw s LEU 100 Ca -0.05 -0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 52.15 1xpw s LEU 100 Cb -0.06 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.69 1xpw s LEU 100 CO -0.05 -1.68 0.91 -1.58 0.23 0.00 0.00 176.35 174.18 1xpw s GLN 101 N 5.06 3.44 -0.05 1.70 0.74 -1.26 -5.02 119.66 124.27 1xpw s GLN 101 Ca 0.30 -0.04 -0.28 0.00 0.05 0.00 0.00 55.36 55.39 1xpw s GLN 101 Cb -0.12 -3.97 -0.03 0.00 1.10 0.00 0.00 33.01 29.99 1xpw s GLN 101 CO 0.13 -1.30 0.93 -0.80 -0.55 0.00 0.00 175.29 173.70 1xpw s ASN 102 N 2.45 7.25 -0.76 6.67 0.01 -1.26 -4.38 114.94 124.91 1xpw s ASN 102 Ca 0.33 1.52 -0.19 0.00 -0.71 0.00 0.00 52.86 53.81 1xpw s ASN 102 Cb -0.11 -2.53 0.12 0.00 0.41 0.00 0.00 41.25 39.14 1xpw s ASN 102 CO 0.23 -0.28 0.92 -1.61 -1.51 0.00 0.00 177.10 174.85 1xpw s GLU 103 N 1.26 3.34 -0.74 -0.60 0.41 0.20 -4.94 118.70 117.63 1xpw s GLU 103 Ca 0.48 -1.55 -0.22 0.00 -0.41 0.00 0.00 54.97 53.27 1xpw s GLU 103 Cb -0.20 -4.52 0.09 0.00 -1.78 0.00 0.00 34.13 27.72 1xpw s GLU 103 CO 0.23 -1.65 1.02 -1.21 -0.49 0.00 0.00 175.26 173.17 1xpw s GLU 104 N 2.60 3.25 -0.27 1.61 2.02 -1.26 -1.52 118.70 125.14 1xpw s GLU 104 Ca 0.22 -1.09 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 1xpw s GLU 104 Cb -0.14 -4.45 -0.05 0.00 0.10 0.00 0.00 34.13 29.59 1xpw s GLU 104 CO -0.01 -1.82 0.17 0.42 0.02 0.00 0.00 175.26 174.05 1xpw s ILE 105 N 3.73 5.22 -0.54 -1.63 1.01 0.46 -4.93 121.20 124.53 1xpw s ILE 105 Ca 0.26 0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.77 1xpw s ILE 105 Cb -0.13 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1xpw s ILE 105 CO 0.04 0.28 1.61 0.68 0.00 0.00 0.00 174.94 177.55 1xpw s VAL 106 N 1.61 3.61 -0.26 2.92 -7.23 -1.26 -0.37 120.40 119.42 1xpw s VAL 106 Ca 0.07 0.50 -0.03 0.00 -1.81 0.00 0.00 61.98 60.71 1xpw s VAL 106 Cb -0.15 -4.16 0.09 0.00 0.56 0.00 0.00 36.38 32.71 1xpw s VAL 106 CO 0.09 -0.97 0.10 0.00 -0.31 0.00 0.00 175.10 174.02 1xpw s ALA 107 N 7.05 0.79 -0.41 1.32 0.00 -0.66 -4.97 121.76 124.89 1xpw s ALA 107 Ca 0.61 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 1xpw s ALA 107 Cb -0.13 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.67 1xpw s ALA 107 CO 0.25 -1.50 0.34 -1.01 0.00 0.00 0.00 175.76 173.85 1xpw s HIS 108 N 1.99 3.22 -0.04 0.00 3.76 -1.25 -3.32 115.29 119.64 1xpw s HIS 108 Ca 0.06 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.17 1xpw s HIS 108 Cb -0.16 -2.68 0.11 0.00 1.11 0.00 0.00 32.58 30.95 1xpw s HIS 108 CO -0.26 -0.62 0.90 0.20 -0.85 0.00 0.00 174.74 174.12 1xpw s GLY 109 N 1.72 -0.43 -0.14 -2.22 0.00 -1.11 -4.99 107.32 100.16 1xpw s GLY 109 Ca 0.07 1.26 -0.04 0.00 0.00 0.00 0.00 44.72 46.02 1xpw s GLY 109 CO 0.11 0.53 -0.02 -0.56 0.00 0.00 0.00 173.10 173.16 1xpw s SER 110 N -2.10 5.01 0.05 1.64 0.01 -1.26 -0.54 113.70 116.51 1xpw s SER 110 Ca 0.03 -0.03 -0.22 0.00 1.31 0.00 0.00 55.95 57.04 1xpw s SER 110 Cb -0.01 -1.70 0.05 0.00 0.21 0.00 0.00 66.02 64.58 1xpw s SER 110 CO -0.06 0.23 0.51 0.00 0.41 0.00 0.00 173.24 174.33 1xpw s ALA 111 N -0.00 -1.29 -0.12 1.44 0.00 -1.25 -4.77 121.76 115.76 1xpw s ALA 111 Ca 0.02 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1xpw s ALA 111 Cb -0.13 0.39 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 1xpw s ALA 111 CO 0.02 -0.50 -0.07 0.25 0.00 0.00 0.00 175.76 175.46 1xpw n THR 112 N 0.41 0.71 -5.08 0.00 -2.24 0.66 -4.31 114.28 104.42 1xpw n THR 112 Ca -0.18 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 60.99 1xpw n THR 112 Cb 0.60 -0.89 -0.16 0.00 -2.10 0.00 0.00 70.33 67.78 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 2.17 -0.14 4.78 1.51 -0.87 -0.69 117.35 121.86 1xpw s TYR 113 Ca -0.14 -0.69 0.02 0.00 -1.01 0.00 0.00 57.07 55.26 1xpw s TYR 113 Cb 0.04 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.46 1xpw s TYR 113 CO 0.32 -0.24 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.80 1xpw s LEU 114 N 0.02 2.08 -0.41 -1.29 1.43 -0.48 -0.44 118.68 119.59 1xpw s LEU 114 Ca -0.07 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.35 1xpw s LEU 114 Cb -0.14 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.73 1xpw s LEU 114 CO 0.04 0.07 0.25 -0.60 0.23 0.00 0.00 176.35 176.35 1xpw s ARG 115 N 0.84 2.65 -0.53 1.70 3.52 0.47 -0.40 118.95 127.20 1xpw s ARG 115 Ca -0.07 -1.39 -0.26 0.00 -0.13 0.00 0.00 55.73 53.89 1xpw s ARG 115 Cb -0.15 -3.78 0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1xpw s ARG 115 CO -0.02 -0.91 1.03 -0.06 -0.81 0.00 0.00 175.30 174.53 1xpw s PHE 116 N 1.45 2.78 -0.50 5.12 0.40 -0.38 -1.60 117.98 125.26 1xpw s PHE 116 Ca 0.03 0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 56.49 1xpw s PHE 116 Cb -0.22 -4.21 0.10 0.00 0.51 0.00 0.00 43.02 39.20 1xpw s PHE 116 CO 0.03 -1.35 0.42 0.42 0.70 0.00 0.00 175.22 175.45 1xpw s ILE 117 N 4.23 5.06 -0.87 0.64 1.01 0.43 -2.47 121.20 129.22 1xpw s ILE 117 Ca 0.37 -1.33 -0.24 0.00 0.00 0.00 0.00 60.65 59.46 1xpw s ILE 117 Cb -0.10 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.29 1xpw s ILE 117 CO 0.24 -0.71 1.30 -0.63 0.00 0.00 0.00 174.94 175.14 1xpw s ILE 118 N 1.58 3.99 0.16 2.92 1.01 0.46 -0.58 121.20 130.74 1xpw s ILE 118 Ca 0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 1xpw s ILE 118 Cb -0.27 -4.94 0.04 0.00 0.01 0.00 0.00 42.46 37.31 1xpw s ILE 118 CO 0.04 -1.81 1.68 0.58 0.00 0.00 0.00 174.94 175.44 1xpw h VAL 119 N 6.33 1.23 -2.91 2.92 2.07 -1.58 0.18 116.25 124.48 1xpw h VAL 119 Ca -0.03 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1xpw h VAL 119 Cb 1.03 0.75 -0.14 0.00 -1.52 0.00 0.00 31.29 31.41 1xpw h VAL 119 CO 1.31 0.28 0.09 -0.55 0.02 0.00 0.00 177.57 178.72 1xpw s SER 120 N -6.09 -0.46 0.08 0.57 0.15 -1.24 -4.22 113.70 102.49 1xpw s SER 120 Ca -0.13 0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.59 1xpw s SER 120 Cb 0.12 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1xpw s SER 120 CO 0.79 -0.82 -0.05 0.00 1.20 0.00 0.00 173.24 174.35 1xpw s ALA 121 N -3.06 0.76 0.11 5.45 0.00 -1.26 -2.14 121.76 121.62 1xpw s ALA 121 Ca -0.02 -1.25 0.31 0.00 0.00 0.00 0.00 51.96 51.00 1xpw s ALA 121 Cb -0.00 0.19 1.23 0.00 0.00 0.00 0.00 23.12 24.54 1xpw s ALA 121 CO -0.07 -0.27 1.94 0.74 0.00 0.00 0.00 175.76 178.10 1xpw h PHE 122 N 3.16 0.00 -3.41 0.00 0.04 -0.98 -3.46 116.94 112.29 1xpw h PHE 122 Ca -0.35 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.29 1xpw h PHE 122 Cb 1.16 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.28 1xpw h PHE 122 CO 0.57 0.06 -0.12 -3.47 -0.60 0.00 0.00 178.31 174.76 1xpw n ASP 123 N -3.18 0.98 0.08 2.17 -0.08 -1.26 -5.05 116.55 110.20 1xpw n ASP 123 Ca 0.00 -1.54 -0.00 0.00 -1.51 0.00 0.00 54.79 51.75 1xpw n ASP 123 Cb 0.34 0.26 -0.05 0.00 2.34 0.00 0.00 41.12 44.01 1xpw n ASP 123 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1xpw h HIS 124 N 1.17 0.00 -3.16 -0.67 3.86 -1.95 -3.44 115.15 110.96 1xpw h HIS 124 Ca -0.08 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.46 1xpw h HIS 124 Cb 0.30 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 28.44 1xpw h HIS 124 CO 0.00 0.61 -0.84 -0.59 0.86 0.00 0.00 177.93 177.97 1xpw s PHE 125 N -2.90 2.76 -0.37 2.45 -0.71 -1.26 -3.56 117.98 114.38 1xpw s PHE 125 Ca 0.00 -1.41 -0.12 0.00 -1.04 0.00 0.00 56.93 54.37 1xpw s PHE 125 Cb 0.08 -1.90 0.02 0.00 -1.21 0.00 0.00 43.02 40.02 1xpw s PHE 125 CO 0.79 -0.68 0.22 0.00 -1.34 0.00 0.00 175.22 174.21 1xpw s ALA 126 N 1.09 3.32 -0.25 1.99 0.00 -1.26 -4.72 121.76 121.92 1xpw s ALA 126 Ca -0.00 -1.68 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 1xpw s ALA 126 Cb -0.14 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1xpw s ALA 126 CO -0.07 -1.35 0.09 -1.12 0.00 0.00 0.00 175.76 173.32 1xpw s SER 127 N 1.59 5.32 -0.20 0.00 0.01 -1.17 -2.89 113.70 116.35 1xpw s SER 127 Ca 0.03 -0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.05 1xpw s SER 127 Cb -0.19 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 1xpw s SER 127 CO 0.07 -0.03 0.07 0.54 0.41 0.00 0.00 173.24 174.30 1xpw s VAL 128 N 1.60 4.73 -0.10 3.43 0.11 -1.16 -0.28 120.40 128.73 1xpw s VAL 128 Ca 0.06 -0.05 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 1xpw s VAL 128 Cb -0.15 -3.15 -0.28 0.00 -1.53 0.00 0.00 36.38 31.28 1xpw s VAL 128 CO 0.05 0.43 0.64 -0.74 -3.33 0.00 0.00 175.10 172.16 1xpw h HIS 129 N 6.98 0.40 -1.93 1.54 2.76 -0.59 -3.37 115.15 120.94 1xpw h HIS 129 Ca -0.37 -0.30 -0.04 0.00 -2.20 0.00 0.00 60.37 57.47 1xpw h HIS 129 Cb 1.17 -0.02 -0.20 0.00 1.55 0.00 0.00 27.41 29.91 1xpw h HIS 129 CO 0.58 1.44 0.24 -1.54 -1.30 0.00 0.00 177.93 177.35 1xpw s SER 130 N -6.94 -0.62 -0.03 3.26 1.04 -1.22 -4.41 113.70 104.77 1xpw s SER 130 Ca -0.19 0.75 0.03 0.00 0.48 0.00 0.00 55.95 57.02 1xpw s SER 130 Cb 0.03 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1xpw s SER 130 CO 0.77 -0.53 -0.10 0.68 0.98 0.00 0.00 173.24 175.03 1xpw s VAL 131 N -1.00 0.90 -0.02 5.02 -7.23 -1.26 -1.26 120.40 115.54 1xpw s VAL 131 Ca -0.08 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 59.66 1xpw s VAL 131 Cb -0.01 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 36.15 1xpw s VAL 131 CO 0.08 0.28 0.06 -0.94 -0.31 0.00 0.00 175.10 174.26 1xpw s SER 132 N 0.25 -0.04 -0.45 4.85 1.04 -0.31 -4.57 113.70 114.47 1xpw s SER 132 Ca -0.05 0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.39 1xpw s SER 132 Cb -0.10 0.09 0.09 0.00 0.10 0.00 0.00 66.02 66.20 1xpw s SER 132 CO 0.01 -0.05 0.32 0.00 0.98 0.00 0.00 173.24 174.51 1xpw s ALA 133 N 0.28 3.38 -0.20 5.32 0.00 -1.26 -0.45 121.76 128.83 1xpw s ALA 133 Ca -0.02 -2.30 -0.16 0.00 0.00 0.00 0.00 51.96 49.48 1xpw s ALA 133 Cb -0.03 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1xpw s ALA 133 CO -0.01 -1.77 0.40 -1.21 0.00 0.00 0.00 175.76 173.17 1xpw s GLU 134 N 1.44 4.18 0.00 0.00 2.02 0.26 -1.94 118.70 124.66 1xpw s GLU 134 Ca 0.04 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1xpw s GLU 134 Cb -0.25 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1xpw s GLU 134 CO 0.02 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.67 1xpw n GLY 135 N 3.91 0.28 3.16 -1.39 0.00 -1.23 -1.22 105.19 108.68 1xpw n GLY 135 Ca -0.08 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 2.29 0.07 0.20 2.61 -4.23 -0.69 -2.89 115.64 113.00 1xpw s THR 136 Ca 0.00 -0.60 -0.15 0.00 -1.18 0.00 0.00 61.69 59.76 1xpw s THR 136 Cb 0.00 -0.50 -0.08 0.00 1.34 0.00 0.00 72.50 73.27 1xpw s THR 136 CO 0.00 -0.33 0.62 0.68 -0.54 0.00 0.00 174.62 175.05 1xpw s VAL 137 N -1.33 4.76 -0.12 2.29 -7.23 -1.26 -0.47 120.40 117.04 1xpw s VAL 137 Ca -0.14 0.92 0.08 0.00 -1.81 0.00 0.00 61.98 61.03 1xpw s VAL 137 Cb -0.07 -3.74 -0.13 0.00 0.56 0.00 0.00 36.38 33.01 1xpw s VAL 137 CO 0.03 0.14 -0.01 0.52 -0.31 0.00 0.00 175.10 175.46 1xpw n VAL 138 N 0.50 0.79 -3.66 1.32 0.31 0.11 -4.88 118.33 112.83 1xpw n VAL 138 Ca -0.03 -0.44 -0.11 0.00 -0.01 0.00 0.00 64.34 63.76 1xpw n VAL 138 Cb 0.52 -0.79 -0.08 0.00 -0.91 0.00 0.00 33.84 32.58 1xpw n VAL 138 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1xpw s SER 139 N -4.67 -0.72 -0.14 4.52 0.15 -0.32 -5.00 113.70 107.53 1xpw s SER 139 Ca -0.09 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1xpw s SER 139 Cb 0.04 1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 65.58 1xpw s SER 139 CO 0.43 -0.22 -0.14 0.20 1.20 0.00 0.00 173.24 174.70 1xpw s ASN 140 N 0.88 3.83 0.00 5.45 0.01 -1.26 0.53 114.94 124.38 1xpw s ASN 140 Ca -0.04 -0.40 0.17 0.00 -0.71 0.00 0.00 52.86 51.88 1xpw s ASN 140 Cb -0.05 -1.58 0.41 0.00 0.41 0.00 0.00 41.25 40.43 1xpw s ASN 140 CO -0.07 0.13 1.33 -0.11 -1.51 0.00 0.00 177.10 176.86 1xpw n LEU 141 N 3.75 3.25 -1.52 0.60 7.94 -1.22 -4.25 117.00 125.55 1xpw n LEU 141 Ca -0.18 -1.75 0.08 0.00 -1.11 0.00 0.00 56.01 53.05 1xpw n LEU 141 Cb 0.52 -0.28 0.33 0.00 0.53 0.00 0.00 43.42 44.53 1xpw n LEU 141 CO 0.30 0.76 0.78 -1.20 -1.11 0.00 0.00 177.39 176.92 1xpw n SER 142 N 1.11 4.51 -0.89 1.96 7.64 -1.25 -4.97 113.62 121.73 1xpw n SER 142 Ca 0.17 -2.48 0.12 0.00 1.01 0.00 0.00 58.87 57.69 1xpw n SER 142 Cb 0.51 -0.57 0.16 0.00 -1.01 0.00 0.00 64.21 63.31 1xpw n SER 142 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83