#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 1.33 -3.69 0.03 1.85 -1.26 -4.96 116.66 109.96 1xpw n ARG 2 Ca 0.00 -0.94 -0.28 0.00 -1.00 0.00 0.00 57.85 55.63 1xpw n ARG 2 Cb 0.00 -0.78 -0.16 0.00 -1.05 0.00 0.00 32.46 30.47 1xpw n ARG 2 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1xpw s LYS 3 N -0.47 0.54 0.17 2.89 -2.85 -1.21 -3.38 119.74 115.43 1xpw s LYS 3 Ca 0.00 -0.59 0.07 0.00 -1.00 0.00 0.00 55.97 54.45 1xpw s LYS 3 Cb 0.00 -1.88 -0.04 0.00 -2.06 0.00 0.00 37.83 33.85 1xpw s LYS 3 CO 0.00 -0.81 -0.01 -1.50 0.10 0.00 0.00 175.35 173.13 1xpw s ILE 4 N 1.86 3.68 -0.50 3.79 2.07 0.12 -4.59 121.20 127.64 1xpw s ILE 4 Ca 0.04 -1.42 -0.28 0.00 -1.41 0.00 0.00 60.65 57.58 1xpw s ILE 4 Cb -0.17 -2.84 -0.01 0.00 0.13 0.00 0.00 42.46 39.57 1xpw s ILE 4 CO -0.18 -0.09 1.67 -0.62 -1.91 0.00 0.00 174.94 173.81 1xpw s ASP 5 N -2.89 5.79 -0.02 4.50 -1.08 -1.26 -2.85 116.67 118.87 1xpw s ASP 5 Ca 0.27 0.63 0.12 0.00 -0.52 0.00 0.00 52.55 53.04 1xpw s ASP 5 Cb -0.09 -2.53 0.36 0.00 -1.46 0.00 0.00 42.92 39.20 1xpw s ASP 5 CO 0.18 -1.91 1.28 0.18 0.52 0.00 0.00 175.17 175.42 1xpw n LEU 6 N 10.77 2.32 -0.41 -1.34 4.77 -0.36 -3.96 117.00 128.80 1xpw n LEU 6 Ca 0.18 -1.17 0.13 0.00 -0.03 0.00 0.00 56.01 55.12 1xpw n LEU 6 Cb 0.49 -0.31 0.30 0.00 -2.33 0.00 0.00 43.42 41.58 1xpw n LEU 6 CO 0.70 0.52 0.62 0.00 -1.33 0.00 0.00 177.39 177.91 1xpw s LEU 8 N -2.35 4.39 0.37 0.00 1.43 -1.25 -4.15 118.68 117.12 1xpw s LEU 8 Ca 0.26 1.28 0.27 0.00 -1.03 0.00 0.00 54.13 54.91 1xpw s LEU 8 Cb 0.19 -3.33 0.97 0.00 0.03 0.00 0.00 46.19 44.05 1xpw s LEU 8 CO 0.47 0.11 1.80 0.77 0.23 0.00 0.00 176.35 179.73 1xpw h SER 9 N 3.73 0.00 0.49 2.29 4.64 -0.02 -2.32 113.55 122.34 1xpw h SER 9 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1xpw h SER 9 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1xpw h SER 9 CO 0.65 0.00 -0.66 -0.24 -0.87 0.00 0.00 176.83 175.72 1xpw n SER 10 N -2.66 0.60 0.08 4.97 2.88 -1.26 -3.41 113.62 114.81 1xpw n SER 10 Ca 0.03 -0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 57.20 1xpw n SER 10 Cb 0.34 0.41 -0.02 0.00 -0.75 0.00 0.00 64.21 64.19 1xpw n SER 10 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1xpw h GLU 11 N 0.00 0.24 0.00 -1.46 4.22 -1.76 -3.47 114.58 112.35 1xpw h GLU 11 Ca 0.00 -0.26 0.00 0.00 0.08 0.00 0.00 59.36 59.18 1xpw h GLU 11 Cb 0.57 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1xpw h GLU 11 CO 0.00 0.99 0.00 0.41 -2.18 0.00 0.00 179.01 178.23 1xpw n GLY 12 N 0.91 1.44 3.62 1.92 0.00 -1.19 -5.06 105.19 106.83 1xpw n GLY 12 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.64 4.69 0.14 1.61 0.01 -1.17 -4.29 113.70 113.04 1xpw s SER 13 Ca 0.00 -0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.12 1xpw s SER 13 Cb 0.00 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 1xpw s SER 13 CO 0.00 0.22 -0.18 -1.61 0.41 0.00 0.00 173.24 172.09 1xpw s GLU 14 N -1.88 1.16 -0.13 12.44 2.02 0.13 -4.03 118.70 128.42 1xpw s GLU 14 Ca 0.21 -1.29 -0.07 0.00 0.02 0.00 0.00 54.97 53.84 1xpw s GLU 14 Cb -0.11 -1.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.85 1xpw s GLU 14 CO 0.12 0.26 0.14 0.54 0.02 0.00 0.00 175.26 176.33 1xpw s VAL 15 N -1.82 5.47 -0.02 2.63 0.11 -1.26 -0.92 120.40 124.59 1xpw s VAL 15 Ca 0.11 0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1xpw s VAL 15 Cb -0.07 -3.39 0.02 0.00 -1.53 0.00 0.00 36.38 31.41 1xpw s VAL 15 CO 0.05 0.60 -0.01 -0.51 -3.33 0.00 0.00 175.10 171.90 1xpw s ILE 16 N -0.89 0.20 -0.16 7.04 2.07 0.47 -4.96 121.20 124.96 1xpw s ILE 16 Ca 0.14 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1xpw s ILE 16 Cb -0.12 -0.24 0.01 0.00 0.13 0.00 0.00 42.46 42.24 1xpw s ILE 16 CO 0.03 0.11 0.07 -0.11 -1.91 0.00 0.00 174.94 173.14 1xpw n LEU 17 N 3.70 -5.33 -4.36 8.50 0.00 -1.26 -1.87 117.00 116.38 1xpw n LEU 17 Ca -0.21 1.15 -0.33 0.00 0.00 0.00 0.00 56.01 56.62 1xpw n LEU 17 Cb 0.54 -2.48 -0.15 0.00 0.00 0.00 0.00 43.42 41.33 1xpw n LEU 17 CO 0.24 -2.28 -0.45 0.00 0.00 0.00 0.00 177.39 174.89 1xpw s ALA 18 N -0.78 2.59 0.35 1.96 0.00 -1.26 -2.91 121.76 121.72 1xpw s ALA 18 Ca -0.08 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1xpw s ALA 18 Cb 0.01 -1.20 0.80 0.00 0.00 0.00 0.00 23.12 22.73 1xpw s ALA 18 CO 0.50 0.23 1.88 1.15 0.00 0.00 0.00 175.76 179.52 1xpw h THR 19 N 5.43 0.86 -3.50 0.00 2.02 -1.96 -3.43 112.91 112.33 1xpw h THR 19 Ca -0.26 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 1xpw h THR 19 Cb 1.21 0.09 -0.12 0.00 -1.74 0.00 0.00 68.15 67.59 1xpw h THR 19 CO 0.55 0.13 -0.12 -0.55 0.37 0.00 0.00 175.52 175.90 1xpw s SER 20 N -5.82 -0.15 -0.13 4.18 0.15 -1.26 -5.00 113.70 105.66 1xpw s SER 20 Ca -0.10 -0.48 -0.30 0.00 0.70 0.00 0.00 55.95 55.77 1xpw s SER 20 Cb 0.22 0.47 0.12 0.00 -1.71 0.00 0.00 66.02 65.12 1xpw s SER 20 CO 0.79 -0.89 0.97 -0.55 1.20 0.00 0.00 173.24 174.76 1xpw s SER 21 N -2.85 -0.37 -0.01 5.45 0.15 -1.26 -4.82 113.70 109.99 1xpw s SER 21 Ca 0.07 0.34 0.07 0.00 0.70 0.00 0.00 55.95 57.13 1xpw s SER 21 Cb 0.02 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1xpw s SER 21 CO -0.08 -0.39 -0.23 1.51 1.20 0.00 0.00 173.24 175.25 1xpw s ASP 22 N -1.36 3.35 0.00 5.45 -4.77 -1.26 -5.02 116.67 113.06 1xpw s ASP 22 Ca -0.01 -0.43 0.17 0.00 -3.30 0.00 0.00 52.55 48.98 1xpw s ASP 22 Cb -0.01 -0.46 0.76 0.00 -1.09 0.00 0.00 42.92 42.13 1xpw s ASP 22 CO 0.00 0.31 1.52 -0.62 0.70 0.00 0.00 175.17 177.08 1xpw n GLU 23 N 2.19 0.08 0.08 2.11 4.71 -1.26 -2.21 120.64 126.34 1xpw n GLU 23 Ca -0.16 0.18 -0.09 0.00 -0.01 0.00 0.00 57.16 57.08 1xpw n GLU 23 Cb 0.52 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.38 1xpw n GLU 23 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1xpw h LYS 24 N 0.00 0.12 -2.42 3.49 3.64 -2.07 -3.39 116.57 115.95 1xpw h LYS 24 Ca 0.00 -0.17 -0.53 0.00 -1.27 0.00 0.00 60.65 58.68 1xpw h LYS 24 Cb 0.24 0.06 -0.37 0.00 -0.41 0.00 0.00 32.23 31.75 1xpw h LYS 24 CO 0.00 1.01 -0.82 -1.01 -2.27 0.00 0.00 179.45 176.36 1xpw s HIS 25 N -2.91 0.49 0.73 1.91 3.76 -0.94 -5.15 115.29 113.18 1xpw s HIS 25 Ca -0.01 -1.48 -0.12 0.00 -0.15 0.00 0.00 55.06 53.30 1xpw s HIS 25 Cb 0.10 -0.79 0.04 0.00 1.11 0.00 0.00 32.58 33.04 1xpw s HIS 25 CO 0.83 -0.86 1.09 -1.25 -0.85 0.00 0.00 174.74 173.70 1xpw s PRO 26 N 1.09 2.48 0.60 8.40 0.04 -1.17 -4.39 135.00 142.05 1xpw s PRO 26 Ca 0.19 1.20 0.30 0.00 0.04 0.00 0.00 61.00 62.73 1xpw s PRO 26 Cb -0.20 -1.92 1.79 0.00 0.04 0.00 0.00 34.50 34.21 1xpw s PRO 26 CO -0.01 -1.47 2.18 -1.35 0.04 0.00 0.00 177.00 176.39 1xpw h PRO 27 N -0.77 0.00 0.00 0.56 0.11 -1.92 -0.69 132.00 129.29 1xpw h PRO 27 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xpw h PRO 27 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xpw h PRO 27 CO 0.53 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.47 1xpw n GLU 28 N -3.73 0.14 0.25 1.05 0.00 -1.26 -0.52 120.64 116.58 1xpw n GLU 28 Ca -0.01 0.60 0.13 0.00 0.00 0.00 0.00 57.16 57.89 1xpw n GLU 28 Cb 0.21 -1.93 0.63 0.00 0.00 0.00 0.00 31.44 30.34 1xpw n GLU 28 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1xpw h ASN 29 N 0.00 0.00 0.50 -1.84 -0.73 -1.47 -0.39 115.58 111.65 1xpw h ASN 29 Ca 0.00 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 1xpw h ASN 29 Cb 0.05 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1xpw h ASN 29 CO 0.00 0.13 -0.22 -0.29 -0.37 0.00 0.00 177.43 176.67 1xpw h ILE 30 N 0.00 0.78 0.00 2.57 2.10 -1.01 -2.58 117.51 119.37 1xpw h ILE 30 Ca -0.00 -0.90 0.00 0.00 1.08 0.00 0.00 64.86 65.03 1xpw h ILE 30 Cb 0.54 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1xpw h ILE 30 CO 0.02 0.22 -1.31 2.30 -1.08 0.00 0.00 178.15 178.30 1xpw n ILE 31 N -3.72 0.00 0.04 2.19 -5.35 -1.06 -4.63 119.36 106.82 1xpw n ILE 31 Ca -0.01 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 1xpw n ILE 31 Cb 0.34 0.44 -0.09 0.00 -1.74 0.00 0.00 39.64 38.59 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1xpw h ASP 32 N 0.00 -0.06 0.00 7.28 3.58 -0.68 0.55 116.42 127.09 1xpw h ASP 32 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1xpw h ASP 32 Cb 0.52 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1xpw h ASP 32 CO 0.00 0.23 0.00 0.61 -2.88 0.00 0.00 179.24 177.20 1xpw n GLY 33 N -0.35 0.99 3.63 -0.78 0.00 -1.10 -4.69 105.19 102.90 1xpw n GLY 33 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.89 6.79 -0.04 1.61 0.01 -1.26 -4.92 114.94 115.24 1xpw s ASN 34 Ca 0.00 0.86 0.03 0.00 -0.71 0.00 0.00 52.86 53.04 1xpw s ASN 34 Cb 0.00 -2.46 0.14 0.00 0.41 0.00 0.00 41.25 39.34 1xpw s ASN 34 CO 0.00 -0.70 0.74 -0.81 -1.51 0.00 0.00 177.10 174.82 1xpw n PRO 35 N 6.43 1.66 -0.00 -0.60 -0.04 -1.26 -4.37 135.00 136.82 1xpw n PRO 35 Ca 0.07 -0.55 -0.15 0.00 -0.04 0.00 0.00 63.50 62.83 1xpw n PRO 35 Cb 0.48 -1.60 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1xpw n PRO 35 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xpw h GLU 36 N 0.70 -0.56 -3.59 0.54 5.08 -1.99 -3.45 114.58 111.32 1xpw h GLU 36 Ca 0.00 0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1xpw h GLU 36 Cb 0.73 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.99 1xpw h GLU 36 CO 0.08 -0.37 -0.15 0.99 -1.00 0.00 0.00 179.01 178.55 1xpw s THR 37 N -5.65 0.06 0.57 1.13 2.01 -1.26 -5.18 115.64 107.31 1xpw s THR 37 Ca -0.15 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 60.83 1xpw s THR 37 Cb 0.07 -1.62 0.05 0.00 0.01 0.00 0.00 72.50 71.01 1xpw s THR 37 CO 0.60 -0.25 0.80 0.72 -0.69 0.00 0.00 174.62 175.79 1xpw s PHE 38 N -3.90 2.53 -0.14 4.92 -0.12 -1.26 -4.98 117.98 115.03 1xpw s PHE 38 Ca 0.11 -0.14 -0.25 0.00 -0.05 0.00 0.00 56.93 56.61 1xpw s PHE 38 Cb 0.01 -2.73 -0.02 0.00 -0.63 0.00 0.00 43.02 39.65 1xpw s PHE 38 CO -0.03 -1.01 0.78 -0.46 -0.05 0.00 0.00 175.22 174.45 1xpw s TRP 39 N -2.79 3.47 0.02 3.49 -0.00 0.28 -4.88 118.94 118.53 1xpw s TRP 39 Ca 0.59 1.24 0.04 0.00 -0.00 0.00 0.00 56.10 57.97 1xpw s TRP 39 Cb -0.09 -2.94 -0.02 0.00 -0.00 0.00 0.00 33.47 30.42 1xpw s TRP 39 CO 0.39 -0.14 -0.11 -0.08 -0.00 0.00 0.00 176.95 177.01 1xpw s THR 40 N 1.71 0.87 0.46 5.86 -1.32 -1.26 -1.35 115.64 120.62 1xpw s THR 40 Ca 0.38 -0.75 -0.06 0.00 -1.21 0.00 0.00 61.69 60.04 1xpw s THR 40 Cb -0.17 -0.78 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 1xpw s THR 40 CO 0.14 0.04 0.78 0.28 -2.21 0.00 0.00 174.62 173.65 1xpw s THR 41 N -0.65 4.89 -0.80 5.08 -1.32 -1.17 -4.68 115.64 116.99 1xpw s THR 41 Ca 0.01 0.28 0.02 0.00 -1.21 0.00 0.00 61.69 60.79 1xpw s THR 41 Cb -0.06 -3.84 0.11 0.00 -1.51 0.00 0.00 72.50 67.20 1xpw s THR 41 CO 0.00 -0.77 0.72 0.35 -2.21 0.00 0.00 174.62 172.71 1xpw n THR 42 N -2.04 0.48 -0.09 5.08 -2.24 -1.26 -4.63 114.28 109.59 1xpw n THR 42 Ca 0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1xpw n THR 42 Cb 0.55 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.11 0.95 3.55 3.38 0.00 -1.25 -5.02 105.19 106.91 1xpw n GLY 43 Ca 0.04 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.80 3.63 0.03 1.61 1.00 -1.26 -4.97 119.30 118.54 1xpw s MET 44 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 55.69 54.45 1xpw s MET 44 Cb 0.00 -5.34 -0.04 0.00 0.00 0.00 0.00 34.83 29.45 1xpw s MET 44 CO 0.00 -2.18 0.02 -0.06 0.00 0.00 0.00 175.02 172.81 1xpw s PHE 45 N 4.71 3.11 0.81 -0.03 0.40 -1.26 -4.03 117.98 121.68 1xpw s PHE 45 Ca 0.46 0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.75 1xpw s PHE 45 Cb 0.00 -1.64 0.08 0.00 0.51 0.00 0.00 43.02 41.97 1xpw s PHE 45 CO -0.08 0.49 1.12 -1.25 0.70 0.00 0.00 175.22 176.20 1xpw s PRO 46 N -1.87 1.95 0.07 0.24 0.04 -1.26 -5.13 135.00 129.03 1xpw s PRO 46 Ca 0.23 0.43 0.03 0.00 0.04 0.00 0.00 61.00 61.74 1xpw s PRO 46 Cb -0.12 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1xpw s PRO 46 CO 0.14 -1.67 0.03 -0.65 0.04 0.00 0.00 177.00 174.90 1xpw s GLN 47 N -5.29 2.73 -0.27 4.56 -0.21 0.12 -4.98 119.66 116.32 1xpw s GLN 47 Ca 0.61 -0.73 -0.11 0.00 0.02 0.00 0.00 55.36 55.16 1xpw s GLN 47 Cb -0.13 -2.64 0.11 0.00 1.00 0.00 0.00 33.01 31.34 1xpw s GLN 47 CO 0.53 0.57 0.61 -1.83 -2.12 0.00 0.00 175.29 173.04 1xpw s GLU 48 N -2.19 0.55 0.00 2.91 -1.05 -1.25 -0.38 118.70 117.29 1xpw s GLU 48 Ca 0.26 1.32 0.05 0.00 -0.15 0.00 0.00 54.97 56.45 1xpw s GLU 48 Cb -0.12 0.62 -0.01 0.00 -0.44 0.00 0.00 34.13 34.18 1xpw s GLU 48 CO 0.18 -0.20 -0.15 -0.59 0.95 0.00 0.00 175.26 175.46 1xpw s PHE 49 N 2.56 1.33 -0.21 4.83 -0.71 -0.75 -3.78 117.98 121.24 1xpw s PHE 49 Ca -0.06 -0.27 -0.05 0.00 -1.04 0.00 0.00 56.93 55.51 1xpw s PHE 49 Cb -0.11 -0.84 -0.02 0.00 -1.21 0.00 0.00 43.02 40.84 1xpw s PHE 49 CO -0.18 -0.01 -0.01 0.42 -1.34 0.00 0.00 175.22 174.10 1xpw s ILE 50 N -0.45 3.75 -0.24 -4.49 1.01 -0.78 -1.16 121.20 118.83 1xpw s ILE 50 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 1xpw s ILE 50 Cb -0.06 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1xpw s ILE 50 CO -0.00 0.42 0.04 -0.63 0.00 0.00 0.00 174.94 174.77 1xpw s ILE 51 N 1.21 4.05 -0.19 2.92 1.01 -0.04 -0.39 121.20 129.77 1xpw s ILE 51 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1xpw s ILE 51 Cb -0.15 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1xpw s ILE 51 CO 0.00 0.36 0.02 0.00 0.00 0.00 0.00 174.94 175.33 1xpw n PHE 53 N 3.89 0.62 -1.16 0.00 3.72 -0.06 -0.69 117.46 123.78 1xpw n PHE 53 Ca -0.17 0.24 -0.05 0.00 -0.05 0.00 0.00 57.45 57.42 1xpw n PHE 53 Cb 0.52 -0.88 -0.02 0.00 -0.94 0.00 0.00 39.48 38.15 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 -2.06 0.00 -3.66 1.38 -0.00 -1.26 -3.95 115.22 105.68 1xpw n HIS 54 Ca 0.03 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.17 1xpw n HIS 54 Cb 0.23 -1.83 -0.01 0.00 -0.12 0.00 0.00 29.99 28.26 1xpw n HIS 54 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1xpw s LYS 55 N -2.08 0.89 -0.52 1.57 -2.85 -1.26 -4.82 119.74 110.67 1xpw s LYS 55 Ca 0.00 -0.46 -0.24 0.00 -1.00 0.00 0.00 55.97 54.28 1xpw s LYS 55 Cb 0.00 0.33 0.04 0.00 -2.06 0.00 0.00 37.83 36.14 1xpw s LYS 55 CO 0.00 -0.40 0.88 -1.58 0.10 0.00 0.00 175.35 174.34 1xpw s HIS 56 N -3.02 2.87 0.39 1.78 5.65 -1.09 -4.63 115.29 117.25 1xpw s HIS 56 Ca 0.11 0.02 0.08 0.00 0.25 0.00 0.00 55.06 55.51 1xpw s HIS 56 Cb -0.00 -3.93 -0.06 0.00 -1.18 0.00 0.00 32.58 27.41 1xpw s HIS 56 CO -0.02 -1.22 0.07 0.14 -0.65 0.00 0.00 174.74 173.06 1xpw s VAL 57 N 3.67 2.26 -0.12 0.89 -7.23 -1.26 -0.28 120.40 118.33 1xpw s VAL 57 Ca 0.30 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1xpw s VAL 57 Cb -0.13 -2.94 -0.00 0.00 0.56 0.00 0.00 36.38 33.87 1xpw s VAL 57 CO 0.20 -0.05 -0.19 -0.60 -0.31 0.00 0.00 175.10 174.15 1xpw s ARG 58 N -3.78 3.18 -0.16 4.82 3.52 0.45 -3.75 118.95 123.21 1xpw s ARG 58 Ca 0.37 -0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 55.10 1xpw s ARG 58 Cb 0.05 -2.48 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 1xpw s ARG 58 CO 0.20 0.13 0.09 0.42 -0.81 0.00 0.00 175.30 175.34 1xpw s ILE 59 N 0.50 5.09 -0.19 4.11 1.01 0.28 -1.63 121.20 130.37 1xpw s ILE 59 Ca -0.12 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1xpw s ILE 59 Cb -0.17 -3.27 -0.12 0.00 0.01 0.00 0.00 42.46 38.91 1xpw s ILE 59 CO 0.05 0.50 -0.17 1.21 0.00 0.00 0.00 174.94 176.53 1xpw n GLU 60 N 3.05 0.47 -3.92 2.79 2.13 0.54 -2.17 120.64 123.53 1xpw n GLU 60 Ca -0.17 0.11 -0.10 0.00 0.66 0.00 0.00 57.16 57.66 1xpw n GLU 60 Cb 0.53 -1.37 -0.12 0.00 0.27 0.00 0.00 31.44 30.76 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 -2.38 0.27 -0.34 5.31 0.52 -0.84 -0.53 118.95 120.97 1xpw s ARG 61 Ca -0.26 -0.35 -0.01 0.00 -0.52 0.00 0.00 55.73 54.59 1xpw s ARG 61 Cb 0.07 0.11 0.08 0.00 0.52 0.00 0.00 34.95 35.72 1xpw s ARG 61 CO 0.43 -0.05 0.06 -0.51 0.02 0.00 0.00 175.30 175.25 1xpw s LEU 62 N -0.99 4.39 -0.75 2.53 1.43 0.52 -0.39 118.68 125.42 1xpw s LEU 62 Ca -0.11 -1.62 -0.20 0.00 -1.03 0.00 0.00 54.13 51.17 1xpw s LEU 62 Cb -0.07 -1.73 0.11 0.00 0.03 0.00 0.00 46.19 44.54 1xpw s LEU 62 CO -0.00 -0.36 0.94 -0.69 0.23 0.00 0.00 176.35 176.47 1xpw s VAL 63 N 1.16 4.69 -0.29 -1.59 1.01 0.50 -1.31 120.40 124.58 1xpw s VAL 63 Ca 0.01 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 60.80 1xpw s VAL 63 Cb -0.21 -4.65 -0.00 0.00 0.00 0.00 0.00 36.38 31.52 1xpw s VAL 63 CO -0.03 -1.36 0.08 -0.63 0.00 0.00 0.00 175.10 173.16 1xpw s ILE 64 N 2.93 4.07 -0.33 2.22 1.01 -0.13 -0.42 121.20 130.55 1xpw s ILE 64 Ca 0.23 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 1xpw s ILE 64 Cb -0.14 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.32 1xpw s ILE 64 CO 0.01 0.14 0.10 -1.10 0.00 0.00 0.00 174.94 174.08 1xpw s GLN 65 N 1.53 2.65 0.21 2.79 -0.21 0.20 -0.45 119.66 126.38 1xpw s GLN 65 Ca 0.04 -1.16 0.01 0.00 0.02 0.00 0.00 55.36 54.27 1xpw s GLN 65 Cb -0.17 -3.44 -0.05 0.00 1.00 0.00 0.00 33.01 30.36 1xpw s GLN 65 CO 0.03 -0.65 0.07 -1.12 -2.12 0.00 0.00 175.29 171.50 1xpw s SER 66 N 1.40 0.91 0.02 5.90 0.01 -0.78 -3.60 113.70 117.57 1xpw s SER 66 Ca -0.02 -1.30 0.02 0.00 1.31 0.00 0.00 55.95 55.96 1xpw s SER 66 Cb -0.19 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1xpw s SER 66 CO 0.03 -0.70 -0.06 -0.31 0.41 0.00 0.00 173.24 172.60 1xpw s TYR 67 N -3.83 0.54 0.00 2.43 2.02 -0.06 -3.88 117.35 114.56 1xpw s TYR 67 Ca 0.32 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 1xpw s TYR 67 Cb 0.07 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.30 1xpw s TYR 67 CO 0.09 -0.04 0.00 1.19 -1.57 0.00 0.00 175.55 175.22 1xpw n PHE 68 N 2.30 0.00 -1.68 2.71 3.72 -1.26 -2.58 117.46 120.68 1xpw n PHE 68 Ca -0.17 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.79 1xpw n PHE 68 Cb 0.57 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 39.01 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 -1.16 1.21 -0.03 -4.37 0.31 -1.26 -0.86 118.33 112.15 1xpw n VAL 69 Ca 0.00 -0.30 -0.07 0.00 -0.01 0.00 0.00 64.34 63.96 1xpw n VAL 69 Cb 0.00 -1.50 -0.02 0.00 -0.91 0.00 0.00 33.84 31.41 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 1.68 0.15 -4.09 5.55 7.27 -0.94 -4.09 117.38 122.91 1xpw n GLN 70 Ca 0.10 0.06 -0.32 0.00 0.07 0.00 0.00 57.00 56.91 1xpw n GLN 70 Cb 0.33 -0.75 -0.15 0.00 2.41 0.00 0.00 30.24 32.07 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 -2.14 2.11 -0.27 1.69 2.01 0.08 -0.08 115.64 119.04 1xpw s THR 71 Ca -0.10 -1.36 0.02 0.00 0.31 0.00 0.00 61.69 60.57 1xpw s THR 71 Cb 0.04 -2.10 0.07 0.00 0.01 0.00 0.00 72.50 70.51 1xpw s THR 71 CO 0.12 0.19 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.97 1xpw s LEU 72 N 1.18 3.33 -0.41 4.42 2.96 0.14 -1.19 118.68 129.12 1xpw s LEU 72 Ca -0.04 -1.47 -0.14 0.00 -0.22 0.00 0.00 54.13 52.27 1xpw s LEU 72 Cb -0.17 -1.41 0.03 0.00 0.50 0.00 0.00 46.19 45.14 1xpw s LEU 72 CO -0.08 -0.25 0.29 -0.75 -1.32 0.00 0.00 176.35 174.24 1xpw s LYS 73 N 1.19 2.91 -0.40 1.98 2.20 0.49 -0.38 119.74 127.73 1xpw s LYS 73 Ca -0.03 -1.11 -0.18 0.00 -0.36 0.00 0.00 55.97 54.29 1xpw s LYS 73 Cb -0.19 -3.93 0.01 0.00 -1.51 0.00 0.00 37.83 32.21 1xpw s LYS 73 CO -0.07 -0.79 0.47 0.42 -0.36 0.00 0.00 175.35 175.02 1xpw s ILE 74 N 1.63 5.05 0.09 5.43 1.01 0.48 -0.44 121.20 134.46 1xpw s ILE 74 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1xpw s ILE 74 Cb -0.20 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1xpw s ILE 74 CO 0.08 -0.36 0.23 -1.61 0.00 0.00 0.00 174.94 173.29 1xpw s GLU 75 N 2.26 3.41 0.11 2.79 8.01 0.42 -1.64 118.70 134.06 1xpw s GLU 75 Ca 0.15 -0.51 0.09 0.00 0.01 0.00 0.00 54.97 54.71 1xpw s GLU 75 Cb -0.16 -3.00 -0.04 0.00 -4.31 0.00 0.00 34.13 26.62 1xpw s GLU 75 CO 0.14 0.57 -0.21 -1.59 0.01 0.00 0.00 175.26 174.19 1xpw s LYS 76 N -2.78 1.71 -0.02 1.61 -2.85 0.46 -0.44 119.74 117.44 1xpw s LYS 76 Ca 0.35 -1.20 -0.04 0.00 -1.00 0.00 0.00 55.97 54.07 1xpw s LYS 76 Cb -0.12 -2.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.59 1xpw s LYS 76 CO 0.28 0.48 0.10 0.45 0.10 0.00 0.00 175.35 176.76 1xpw s SER 77 N -2.03 -0.03 0.00 0.03 0.15 -0.36 -0.39 113.70 111.07 1xpw s SER 77 Ca 0.16 0.02 0.08 0.00 0.70 0.00 0.00 55.95 56.91 1xpw s SER 77 Cb -0.10 0.21 0.19 0.00 -1.71 0.00 0.00 66.02 64.60 1xpw s SER 77 CO 0.08 -0.16 1.09 0.35 1.20 0.00 0.00 173.24 175.80 1xpw n THR 78 N 2.42 0.78 -2.59 6.45 -2.24 -1.26 -0.82 114.28 117.02 1xpw n THR 78 Ca -0.17 -0.89 -0.24 0.00 -2.27 0.00 0.00 64.05 60.48 1xpw n THR 78 Cb 0.58 0.65 0.12 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.93 4.21 0.00 3.42 0.01 -1.26 -4.75 113.70 114.41 1xpw s SER 79 Ca 0.15 -0.43 0.19 0.00 1.31 0.00 0.00 55.95 57.17 1xpw s SER 79 Cb 0.08 0.12 0.52 0.00 0.21 0.00 0.00 66.02 66.96 1xpw s SER 79 CO 0.11 -1.97 1.43 1.17 0.41 0.00 0.00 173.24 174.40 1xpw n LYS 80 N -2.90 2.73 -5.25 12.44 4.81 -1.26 -4.64 118.16 124.09 1xpw n LYS 80 Ca 0.16 -2.44 -0.31 0.00 -0.87 0.00 0.00 58.31 54.85 1xpw n LYS 80 Cb 0.61 -1.47 -0.16 0.00 0.02 0.00 0.00 35.03 34.03 1xpw n LYS 80 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1xpw s GLU 81 N -1.03 2.17 0.00 1.64 2.02 -1.26 -5.02 118.70 117.22 1xpw s GLU 81 Ca 0.40 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 54.47 1xpw s GLU 81 Cb 0.21 -2.09 -0.12 0.00 0.10 0.00 0.00 34.13 32.24 1xpw s GLU 81 CO 0.28 0.56 2.25 -2.30 0.02 0.00 0.00 175.26 176.07 1xpw n PRO 82 N 2.44 1.17 -4.40 0.39 -0.02 -1.26 -4.80 135.00 128.51 1xpw n PRO 82 Ca -0.16 -0.44 -0.20 0.00 -2.02 0.00 0.00 63.50 60.68 1xpw n PRO 82 Cb 0.51 -1.57 -0.14 0.00 -0.02 0.00 0.00 33.50 32.28 1xpw n PRO 82 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xpw s VAL 83 N 1.14 0.99 -0.18 -1.45 -7.23 -1.26 -5.00 120.40 107.41 1xpw s VAL 83 Ca 0.29 -0.80 -0.08 0.00 -1.81 0.00 0.00 61.98 59.59 1xpw s VAL 83 Cb 0.14 -0.88 0.03 0.00 0.56 0.00 0.00 36.38 36.23 1xpw s VAL 83 CO 0.00 0.09 0.16 -0.67 -0.31 0.00 0.00 175.10 174.37 1xpw n ASP 84 N 2.24 -2.06 -4.54 4.85 2.03 -1.26 -4.93 116.55 112.87 1xpw n ASP 84 Ca -0.17 1.12 -0.31 0.00 0.52 0.00 0.00 54.79 55.95 1xpw n ASP 84 Cb 0.55 -4.51 -0.11 0.00 -0.72 0.00 0.00 41.12 36.33 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 -0.73 2.75 -0.03 -0.67 0.40 -1.26 -4.77 117.98 113.67 1xpw s PHE 85 Ca -0.18 -0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1xpw s PHE 85 Cb 0.01 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1xpw s PHE 85 CO 0.65 0.34 0.12 -2.00 0.70 0.00 0.00 175.22 175.03 1xpw s GLU 86 N -1.53 3.24 0.16 0.44 2.56 0.47 -4.87 118.70 119.17 1xpw s GLU 86 Ca 0.17 -0.37 -0.31 0.00 0.00 0.00 0.00 54.97 54.46 1xpw s GLU 86 Cb -0.11 -2.98 -0.09 0.00 2.00 0.00 0.00 34.13 32.95 1xpw s GLU 86 CO 0.08 0.68 1.41 1.14 -0.56 0.00 0.00 175.26 178.01 1xpw s GLN 87 N -1.65 4.31 0.00 4.30 -2.07 -1.26 -0.40 119.66 122.89 1xpw s GLN 87 Ca 0.23 2.15 0.00 0.00 -1.82 0.00 0.00 55.36 55.92 1xpw s GLN 87 Cb -0.12 -3.20 0.00 0.00 -1.09 0.00 0.00 33.01 28.60 1xpw s GLN 87 CO 0.13 -0.42 0.00 1.87 -1.32 0.00 0.00 175.29 175.55 1xpw n TRP 88 N 3.43 0.00 -3.81 9.60 -0.00 -0.82 -4.84 117.44 121.00 1xpw n TRP 88 Ca 0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.30 1xpw n TRP 88 Cb 0.41 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.57 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 -0.73 1.22 -0.57 5.87 1.01 -0.65 -5.00 121.20 122.35 1xpw s ILE 89 Ca 0.00 -1.60 -0.18 0.00 0.00 0.00 0.00 60.65 58.87 1xpw s ILE 89 Cb 0.00 -1.90 0.10 0.00 0.01 0.00 0.00 42.46 40.67 1xpw s ILE 89 CO 0.00 -0.63 0.65 -0.70 0.00 0.00 0.00 174.94 174.26 1xpw s GLU 90 N 1.45 3.04 -0.04 2.79 2.12 -1.26 -0.39 118.70 126.42 1xpw s GLU 90 Ca 0.09 -1.32 0.05 0.00 0.36 0.00 0.00 54.97 54.15 1xpw s GLU 90 Cb -0.18 -4.24 -0.03 0.00 0.26 0.00 0.00 34.13 29.95 1xpw s GLU 90 CO -0.20 -1.44 -0.16 0.21 -0.54 0.00 0.00 175.26 173.13 1xpw s LYS 91 N 2.46 2.41 -0.14 4.30 2.20 0.49 -4.97 119.74 126.49 1xpw s LYS 91 Ca 0.10 -0.75 -0.06 0.00 -0.36 0.00 0.00 55.97 54.90 1xpw s LYS 91 Cb -0.24 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.72 1xpw s LYS 91 CO 0.07 0.61 0.06 0.16 -0.36 0.00 0.00 175.35 175.89 1xpw s ASP 92 N -0.80 5.70 0.45 1.43 -4.77 -1.26 -0.68 116.67 116.74 1xpw s ASP 92 Ca 0.12 0.19 0.06 0.00 -3.30 0.00 0.00 52.55 49.61 1xpw s ASP 92 Cb -0.11 -1.86 -0.04 0.00 -1.09 0.00 0.00 42.92 39.83 1xpw s ASP 92 CO 0.01 0.28 0.16 -0.76 0.70 0.00 0.00 175.17 175.56 1xpw s LEU 93 N -0.27 2.91 0.02 2.11 1.02 0.88 -5.00 118.68 120.35 1xpw s LEU 93 Ca 0.08 -1.23 0.06 0.00 0.02 0.00 0.00 54.13 53.06 1xpw s LEU 93 Cb -0.12 -1.23 -0.02 0.00 0.02 0.00 0.00 46.19 44.84 1xpw s LEU 93 CO 0.01 -0.66 -0.17 -0.69 0.02 0.00 0.00 176.35 174.87 1xpw s VAL 94 N -2.68 1.35 -0.52 -1.59 1.01 -1.26 -4.54 120.40 112.17 1xpw s VAL 94 Ca 0.34 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 1xpw s VAL 94 Cb 0.03 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1xpw s VAL 94 CO 0.19 0.19 1.72 -2.28 0.00 0.00 0.00 175.10 174.91 1xpw s HIS 95 N -0.68 1.88 -0.20 5.22 2.46 -1.26 -4.84 115.29 117.87 1xpw s HIS 95 Ca 0.05 0.66 -0.03 0.00 0.47 0.00 0.00 55.06 56.21 1xpw s HIS 95 Cb -0.08 -4.18 -0.01 0.00 -0.13 0.00 0.00 32.58 28.18 1xpw s HIS 95 CO 0.01 -2.38 -0.06 0.95 -2.47 0.00 0.00 174.74 170.79 1xpw s THR 96 N 7.63 3.29 -0.08 0.89 -4.23 -1.26 -5.06 115.64 116.83 1xpw s THR 96 Ca 0.66 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1xpw s THR 96 Cb -0.15 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1xpw s THR 96 CO 0.25 0.45 0.08 -1.83 -0.54 0.00 0.00 174.62 173.03 1xpw s GLU 97 N 1.25 3.21 0.00 3.99 -1.05 -1.26 -4.35 118.70 120.49 1xpw s GLU 97 Ca 0.03 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 1xpw s GLU 97 Cb -0.14 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.56 1xpw s GLU 97 CO -0.02 0.73 0.00 0.41 0.95 0.00 0.00 175.26 177.32 1xpw n GLY 98 N 1.87 1.23 3.52 -3.83 0.00 -1.26 -4.90 105.19 101.82 1xpw n GLY 98 Ca -0.18 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 3.31 -0.08 1.61 -0.21 -1.26 -5.03 119.66 118.00 1xpw s GLN 99 Ca 0.00 -0.39 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 1xpw s GLN 99 Cb 0.00 -3.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 1xpw s GLN 99 CO 0.00 -0.93 1.52 -1.17 -2.12 0.00 0.00 175.29 172.60 1xpw s LEU 100 N 2.65 4.28 -0.68 2.90 0.20 -1.26 -4.60 118.68 122.17 1xpw s LEU 100 Ca 0.20 2.08 -0.26 0.00 0.69 0.00 0.00 54.13 56.85 1xpw s LEU 100 Cb -0.15 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.05 1xpw s LEU 100 CO 0.17 -0.86 1.89 -1.58 -0.29 0.00 0.00 176.35 175.69 1xpw s GLN 101 N 3.71 2.59 -0.32 1.98 -0.44 -1.25 -4.90 119.66 121.03 1xpw s GLN 101 Ca 0.67 0.42 0.04 0.00 -2.50 0.00 0.00 55.36 53.99 1xpw s GLN 101 Cb -0.30 -4.55 0.09 0.00 -1.64 0.00 0.00 33.01 26.61 1xpw s GLN 101 CO 0.25 -2.90 0.01 1.21 0.50 0.00 0.00 175.29 174.36 1xpw s ASN 102 N 8.19 4.68 -0.25 6.67 3.84 -1.26 -1.86 114.94 134.95 1xpw s ASN 102 Ca 0.69 -1.95 -0.18 0.00 0.21 0.00 0.00 52.86 51.63 1xpw s ASN 102 Cb -0.11 -1.61 -0.03 0.00 -0.55 0.00 0.00 41.25 38.95 1xpw s ASN 102 CO 0.16 -0.33 0.51 -1.61 -2.79 0.00 0.00 177.10 173.04 1xpw s GLU 103 N 0.96 4.09 -0.85 0.43 0.41 0.41 -4.91 118.70 119.24 1xpw s GLU 103 Ca 0.05 0.33 -0.14 0.00 -0.41 0.00 0.00 54.97 54.81 1xpw s GLU 103 Cb -0.19 -3.63 0.22 0.00 -1.78 0.00 0.00 34.13 28.74 1xpw s GLU 103 CO -0.07 -0.30 0.80 -2.00 -0.49 0.00 0.00 175.26 173.20 1xpw s GLU 104 N 2.15 3.64 -0.43 1.61 -6.30 -1.26 -0.96 118.70 117.16 1xpw s GLU 104 Ca 0.22 -2.48 -0.19 0.00 -2.50 0.00 0.00 54.97 50.02 1xpw s GLU 104 Cb -0.16 -4.46 0.02 0.00 0.00 0.00 0.00 34.13 29.54 1xpw s GLU 104 CO 0.09 -1.31 0.51 0.42 0.02 0.00 0.00 175.26 175.00 1xpw s ILE 105 N 0.18 4.99 -1.00 -3.70 1.01 -0.42 -4.92 121.20 117.33 1xpw s ILE 105 Ca 0.19 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.43 1xpw s ILE 105 Cb -0.10 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 1xpw s ILE 105 CO -0.09 -0.48 1.74 0.54 0.00 0.00 0.00 174.94 176.65 1xpw s VAL 106 N 2.38 3.69 -0.21 2.92 0.11 -1.26 -0.36 120.40 127.67 1xpw s VAL 106 Ca 0.16 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1xpw s VAL 106 Cb -0.16 -4.55 0.04 0.00 -1.53 0.00 0.00 36.38 30.19 1xpw s VAL 106 CO 0.16 -1.41 -0.11 0.00 -3.33 0.00 0.00 175.10 170.41 1xpw s ALA 107 N 7.81 2.09 -0.26 1.54 0.00 0.31 -4.97 121.76 128.29 1xpw s ALA 107 Ca 0.60 -1.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 1xpw s ALA 107 Cb -0.03 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 1xpw s ALA 107 CO -0.02 -0.86 0.22 -1.01 0.00 0.00 0.00 175.76 174.08 1xpw s HIS 108 N 1.35 3.27 0.13 0.00 3.76 -1.26 -3.57 115.29 118.97 1xpw s HIS 108 Ca -0.02 0.23 -0.26 0.00 -0.15 0.00 0.00 55.06 54.86 1xpw s HIS 108 Cb -0.17 -2.37 0.07 0.00 1.11 0.00 0.00 32.58 31.22 1xpw s HIS 108 CO -0.08 -0.07 0.97 0.20 -0.85 0.00 0.00 174.74 174.91 1xpw s GLY 109 N 1.42 -0.27 -0.16 -2.22 0.00 -0.92 -5.00 107.32 100.16 1xpw s GLY 109 Ca 0.09 0.25 -0.01 0.00 0.00 0.00 0.00 44.72 45.05 1xpw s GLY 109 CO 0.08 0.05 -0.02 -0.56 0.00 0.00 0.00 173.10 172.65 1xpw s SER 110 N -2.89 2.75 0.09 1.64 0.01 -1.26 -0.56 113.70 113.48 1xpw s SER 110 Ca 0.12 -0.66 -0.05 0.00 1.31 0.00 0.00 55.95 56.66 1xpw s SER 110 Cb -0.01 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.43 1xpw s SER 110 CO 0.01 -0.22 0.12 0.00 0.41 0.00 0.00 173.24 173.55 1xpw s ALA 111 N 1.73 0.17 -0.13 1.44 0.00 -1.25 -4.80 121.76 118.92 1xpw s ALA 111 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1xpw s ALA 111 Cb -0.16 0.53 -0.13 0.00 0.00 0.00 0.00 23.12 23.36 1xpw s ALA 111 CO -0.07 -0.49 -0.02 0.25 0.00 0.00 0.00 175.76 175.44 1xpw n THR 112 N -0.04 0.84 -4.85 0.00 -2.24 0.00 -4.07 114.28 103.92 1xpw n THR 112 Ca -0.12 -0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 60.93 1xpw n THR 112 Cb 0.62 -0.80 -0.17 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.30 1.87 -0.15 4.78 1.51 -0.89 -0.88 117.35 121.30 1xpw s TYR 113 Ca -0.11 -0.68 -0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1xpw s TYR 113 Cb 0.04 -1.29 -0.01 0.00 -0.11 0.00 0.00 41.96 40.59 1xpw s TYR 113 CO 0.45 -0.29 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.96 1xpw s LEU 114 N 0.39 2.62 -0.42 -1.29 1.43 0.03 -1.22 118.68 120.22 1xpw s LEU 114 Ca -0.13 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.49 1xpw s LEU 114 Cb -0.15 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.56 1xpw s LEU 114 CO 0.05 0.12 0.27 -0.60 0.23 0.00 0.00 176.35 176.41 1xpw s ARG 115 N 0.64 2.53 -0.57 1.70 3.52 0.42 -0.86 118.95 126.32 1xpw s ARG 115 Ca -0.07 -1.54 -0.22 0.00 -0.13 0.00 0.00 55.73 53.77 1xpw s ARG 115 Cb -0.16 -3.78 0.06 0.00 -1.56 0.00 0.00 34.95 29.52 1xpw s ARG 115 CO 0.03 -1.00 0.83 -0.06 -0.81 0.00 0.00 175.30 174.28 1xpw s PHE 116 N 1.39 2.86 -0.61 5.12 0.40 -0.31 -0.43 117.98 126.39 1xpw s PHE 116 Ca 0.04 -0.41 -0.17 0.00 -0.60 0.00 0.00 56.93 55.79 1xpw s PHE 116 Cb -0.24 -3.97 0.14 0.00 0.51 0.00 0.00 43.02 39.46 1xpw s PHE 116 CO 0.01 -1.33 0.61 0.42 0.70 0.00 0.00 175.22 175.63 1xpw s ILE 117 N 3.46 5.15 -0.95 0.64 1.01 0.42 -1.82 121.20 129.10 1xpw s ILE 117 Ca 0.22 -1.50 -0.21 0.00 0.00 0.00 0.00 60.65 59.15 1xpw s ILE 117 Cb -0.17 -4.41 0.09 0.00 0.01 0.00 0.00 42.46 37.98 1xpw s ILE 117 CO 0.13 -0.98 1.26 -0.63 0.00 0.00 0.00 174.94 174.72 1xpw s ILE 118 N 1.73 4.35 0.03 2.92 1.01 0.49 -0.38 121.20 131.35 1xpw s ILE 118 Ca 0.08 -1.14 -0.20 0.00 0.00 0.00 0.00 60.65 59.39 1xpw s ILE 118 Cb -0.25 -4.90 -0.11 0.00 0.01 0.00 0.00 42.46 37.21 1xpw s ILE 118 CO 0.02 -1.69 1.29 0.58 0.00 0.00 0.00 174.94 175.13 1xpw h VAL 119 N 6.25 0.00 -3.97 2.92 2.07 -1.34 0.34 116.25 122.52 1xpw h VAL 119 Ca 0.15 -0.01 -0.19 0.00 0.82 0.00 0.00 66.70 67.47 1xpw h VAL 119 Cb 1.02 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.64 1xpw h VAL 119 CO 1.25 0.00 -0.69 -0.44 0.02 0.00 0.00 177.57 177.70 1xpw s SER 120 N -3.11 0.88 0.34 0.57 0.01 -1.26 -4.16 113.70 106.99 1xpw s SER 120 Ca -0.11 -0.96 0.03 0.00 1.31 0.00 0.00 55.95 56.23 1xpw s SER 120 Cb 0.01 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1xpw s SER 120 CO 0.32 -0.49 0.11 0.00 0.41 0.00 0.00 173.24 173.60 1xpw s ALA 121 N -3.51 2.39 -1.48 1.44 0.00 -1.26 -0.74 121.76 118.59 1xpw s ALA 121 Ca 0.08 -1.65 0.29 0.00 0.00 0.00 0.00 51.96 50.68 1xpw s ALA 121 Cb 0.05 0.87 1.28 0.00 0.00 0.00 0.00 23.12 25.31 1xpw s ALA 121 CO -0.06 -0.39 1.90 1.19 0.00 0.00 0.00 175.76 178.40 1xpw n PHE 122 N -0.72 0.00 -4.35 0.00 3.72 -0.04 -4.78 117.46 111.28 1xpw n PHE 122 Ca -0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.18 1xpw n PHE 122 Cb 0.65 -0.25 -0.09 0.00 -0.94 0.00 0.00 39.48 38.86 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 -2.58 1.69 0.00 4.37 2.15 -1.26 -5.04 116.67 116.00 1xpw s ASP 123 Ca 0.26 -1.59 0.26 0.00 0.43 0.00 0.00 52.55 51.92 1xpw s ASP 123 Cb 0.20 0.41 0.73 0.00 -0.30 0.00 0.00 42.92 43.96 1xpw s ASP 123 CO 0.49 -0.91 1.56 1.41 -0.17 0.00 0.00 175.17 177.55 1xpw n HIS 124 N -0.62 0.00 -4.11 -5.34 8.25 -1.26 -4.68 115.22 107.46 1xpw n HIS 124 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1xpw n HIS 124 Cb 0.65 -0.22 -0.17 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.78 1.66 0.10 4.41 0.08 -1.26 -3.90 117.98 116.29 1xpw s PHE 125 Ca 0.18 -0.82 0.06 0.00 0.12 0.00 0.00 56.93 56.47 1xpw s PHE 125 Cb 0.18 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.30 1xpw s PHE 125 CO 0.60 -0.50 -0.02 0.00 -0.10 0.00 0.00 175.22 175.20 1xpw s ALA 126 N 1.40 3.21 -0.05 5.36 0.00 -1.26 -4.84 121.76 125.59 1xpw s ALA 126 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1xpw s ALA 126 Cb -0.13 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 21.90 1xpw s ALA 126 CO -0.06 0.67 0.11 -1.54 0.00 0.00 0.00 175.76 174.94 1xpw s SER 127 N -2.35 -0.08 0.02 0.00 1.04 -1.06 -3.02 113.70 108.24 1xpw s SER 127 Ca 0.25 0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.91 1xpw s SER 127 Cb -0.11 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1xpw s SER 127 CO 0.17 -0.10 -0.04 0.54 0.98 0.00 0.00 173.24 174.79 1xpw s VAL 128 N 0.73 0.22 0.01 5.02 0.11 -0.45 -0.89 120.40 125.16 1xpw s VAL 128 Ca -0.06 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1xpw s VAL 128 Cb -0.08 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1xpw s VAL 128 CO -0.03 -0.31 0.00 1.57 -3.33 0.00 0.00 175.10 173.00 1xpw n HIS 129 N 2.00 -0.06 -3.89 1.54 -0.00 -1.24 -0.56 115.22 113.00 1xpw n HIS 129 Ca -0.20 0.01 -0.35 0.00 0.46 0.00 0.00 57.72 57.64 1xpw n HIS 129 Cb 0.56 0.26 -0.13 0.00 -0.12 0.00 0.00 29.99 30.56 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 -5.02 4.96 -0.56 0.26 0.01 -1.25 -4.72 113.70 107.38 1xpw s SER 130 Ca 0.00 -1.65 0.01 0.00 1.31 0.00 0.00 55.95 55.62 1xpw s SER 130 Cb 0.00 -1.73 0.14 0.00 0.21 0.00 0.00 66.02 64.65 1xpw s SER 130 CO 0.00 -0.36 0.33 0.68 0.41 0.00 0.00 173.24 174.30 1xpw s VAL 131 N 1.16 3.06 -0.12 3.43 -7.23 -1.26 -0.63 120.40 118.80 1xpw s VAL 131 Ca 0.01 -3.14 -0.19 0.00 -1.81 0.00 0.00 61.98 56.85 1xpw s VAL 131 Cb -0.21 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.63 1xpw s VAL 131 CO -0.03 -0.83 0.53 -0.44 -0.31 0.00 0.00 175.10 174.02 1xpw s SER 132 N 0.16 6.73 -0.43 4.85 0.01 0.44 -4.59 113.70 120.86 1xpw s SER 132 Ca 0.17 0.87 -0.10 0.00 1.31 0.00 0.00 55.95 58.19 1xpw s SER 132 Cb -0.23 -2.31 0.08 0.00 0.21 0.00 0.00 66.02 63.76 1xpw s SER 132 CO -0.02 -0.06 0.29 0.00 0.41 0.00 0.00 173.24 173.87 1xpw s ALA 133 N 0.84 3.35 -0.21 1.44 0.00 -1.26 -0.37 121.76 125.54 1xpw s ALA 133 Ca 0.28 -2.15 -0.16 0.00 0.00 0.00 0.00 51.96 49.93 1xpw s ALA 133 Cb -0.16 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1xpw s ALA 133 CO 0.12 -1.67 0.40 -1.21 0.00 0.00 0.00 175.76 173.40 1xpw s GLU 134 N 1.47 4.15 0.00 0.00 2.02 0.47 -1.23 118.70 125.58 1xpw s GLU 134 Ca 0.03 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.21 1xpw s GLU 134 Cb -0.23 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1xpw s GLU 134 CO 0.03 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1xpw n GLY 135 N 4.05 -0.78 3.22 -1.39 0.00 -1.13 -0.34 105.19 108.82 1xpw n GLY 135 Ca -0.08 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.00 0.10 0.26 2.61 -4.23 -0.65 0.16 115.64 109.89 1xpw s THR 136 Ca 0.00 -0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 59.43 1xpw s THR 136 Cb 0.00 -0.96 -0.09 0.00 1.34 0.00 0.00 72.50 72.78 1xpw s THR 136 CO 0.00 -0.44 1.19 0.68 -0.54 0.00 0.00 174.62 175.51 1xpw s VAL 137 N -2.69 3.30 -0.27 2.29 -7.23 -1.26 -0.41 120.40 114.14 1xpw s VAL 137 Ca -0.04 1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 61.24 1xpw s VAL 137 Cb -0.00 -3.78 -0.12 0.00 0.56 0.00 0.00 36.38 33.03 1xpw s VAL 137 CO -0.04 0.26 -0.33 0.52 -0.31 0.00 0.00 175.10 175.20 1xpw n VAL 138 N 1.56 1.46 -3.75 1.32 0.31 0.61 -4.85 118.33 114.99 1xpw n VAL 138 Ca 0.01 -0.39 -0.21 0.00 -0.01 0.00 0.00 64.34 63.73 1xpw n VAL 138 Cb 0.44 -1.81 -0.18 0.00 -0.91 0.00 0.00 33.84 31.38 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 -7.29 1.33 -0.04 4.52 0.15 -0.64 -5.05 113.70 106.68 1xpw s SER 139 Ca -0.37 -0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.10 1xpw s SER 139 Cb 0.14 -0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 1xpw s SER 139 CO 0.48 -0.21 0.44 0.20 1.20 0.00 0.00 173.24 175.35 1xpw s ASN 140 N 1.96 6.77 0.00 5.45 -0.87 -1.26 -2.67 114.94 124.33 1xpw s ASN 140 Ca 0.04 0.92 0.18 0.00 -1.57 0.00 0.00 52.86 52.43 1xpw s ASN 140 Cb -0.12 -2.27 0.93 0.00 -0.02 0.00 0.00 41.25 39.77 1xpw s ASN 140 CO -0.04 0.21 1.56 0.00 -2.57 0.00 0.00 177.10 176.26 1xpw n LEU 141 N 2.48 0.00 0.00 0.60 -0.00 -1.26 -2.69 117.00 116.13 1xpw n LEU 141 Ca -0.11 0.28 0.01 0.00 -0.00 0.00 0.00 56.01 56.19 1xpw n LEU 141 Cb 0.52 -0.28 0.07 0.00 -0.00 0.00 0.00 43.42 43.72 1xpw n LEU 141 CO 0.40 -0.11 0.53 -1.20 -0.00 0.00 0.00 177.39 177.01 1xpw n SER 142 N -1.28 0.00 0.00 1.45 7.64 -1.26 -5.24 113.62 114.93 1xpw n SER 142 Ca 0.09 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.09 1xpw n SER 142 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1xpw n SER 142 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83