#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpw h ARG 2 N 0.00 0.00 -2.81 2.12 2.43 -2.02 -3.26 114.38 110.84 1xpw h ARG 2 Ca 0.00 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.56 1xpw h ARG 2 Cb 0.00 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.15 1xpw h ARG 2 CO 0.00 0.00 -0.74 -1.59 -1.51 0.00 0.00 179.97 176.14 1xpw s LYS 3 N -4.04 1.78 0.07 0.20 -2.85 -1.24 -3.00 119.74 110.66 1xpw s LYS 3 Ca -0.03 -2.76 -0.08 0.00 -1.00 0.00 0.00 55.97 52.09 1xpw s LYS 3 Cb 0.12 -2.58 -0.05 0.00 -2.06 0.00 0.00 37.83 33.25 1xpw s LYS 3 CO 0.45 -1.31 0.36 -1.50 0.10 0.00 0.00 175.35 173.45 1xpw s ILE 4 N -0.72 5.16 -0.75 3.79 2.07 -0.39 -4.66 121.20 125.70 1xpw s ILE 4 Ca 0.27 0.31 -0.26 0.00 -1.41 0.00 0.00 60.65 59.56 1xpw s ILE 4 Cb -0.03 -3.62 -0.02 0.00 0.13 0.00 0.00 42.46 38.91 1xpw s ILE 4 CO -0.16 0.27 1.81 -1.81 -1.91 0.00 0.00 174.94 173.14 1xpw s ASP 5 N -1.85 5.39 -0.01 4.50 1.11 -1.26 -3.26 116.67 121.29 1xpw s ASP 5 Ca 0.33 -0.18 0.05 0.00 0.18 0.00 0.00 52.55 52.92 1xpw s ASP 5 Cb -0.13 -2.54 0.15 0.00 1.07 0.00 0.00 42.92 41.46 1xpw s ASP 5 CO 0.19 -2.40 1.09 0.18 1.18 0.00 0.00 175.17 175.41 1xpw n LEU 6 N 12.61 1.03 0.00 1.23 4.77 0.13 -3.10 117.00 133.68 1xpw n LEU 6 Ca 0.26 -0.52 0.12 0.00 -0.03 0.00 0.00 56.01 55.84 1xpw n LEU 6 Cb 0.50 -0.16 0.18 0.00 -2.33 0.00 0.00 43.42 41.61 1xpw n LEU 6 CO 0.67 0.24 0.36 0.00 -1.33 0.00 0.00 177.39 177.33 1xpw s LEU 8 N -3.00 4.43 0.59 0.00 1.43 -1.18 -4.31 118.68 116.64 1xpw s LEU 8 Ca 0.10 2.55 0.35 0.00 -1.03 0.00 0.00 54.13 56.10 1xpw s LEU 8 Cb 0.17 -3.63 1.82 0.00 0.03 0.00 0.00 46.19 44.59 1xpw s LEU 8 CO 0.73 -0.52 2.18 0.77 0.23 0.00 0.00 176.35 179.74 1xpw h SER 9 N 4.38 0.00 0.90 2.29 4.64 -0.38 -0.55 113.55 124.84 1xpw h SER 9 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1xpw h SER 9 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1xpw h SER 9 CO 0.72 0.04 0.00 -1.20 -0.87 0.00 0.00 176.83 175.52 1xpw n SER 10 N -3.32 0.32 -0.79 4.97 7.64 -1.26 -1.54 113.62 119.64 1xpw n SER 10 Ca -0.02 0.55 0.12 0.00 1.01 0.00 0.00 58.87 60.54 1xpw n SER 10 Cb 0.18 -0.63 0.29 0.00 -1.01 0.00 0.00 64.21 63.04 1xpw n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xpw n GLU 11 N -1.83 2.07 -1.32 1.43 -0.58 -0.22 -4.93 120.64 115.26 1xpw n GLU 11 Ca 0.05 -1.58 0.00 0.00 -0.42 0.00 0.00 57.16 55.21 1xpw n GLU 11 Cb 0.29 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1xpw n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xpw n GLY 12 N 1.29 0.58 3.56 0.62 0.00 -0.59 -4.94 105.19 105.72 1xpw n GLY 12 Ca 0.17 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.83 6.13 -0.03 1.61 0.01 -1.20 -4.23 113.70 113.17 1xpw s SER 13 Ca 0.00 -0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 1xpw s SER 13 Cb 0.00 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 1xpw s SER 13 CO 0.00 -0.22 0.10 -1.61 0.41 0.00 0.00 173.24 171.92 1xpw s GLU 14 N 1.91 3.16 -0.05 12.44 8.01 -0.63 -4.23 118.70 139.31 1xpw s GLU 14 Ca 0.10 -0.41 -0.20 0.00 0.01 0.00 0.00 54.97 54.47 1xpw s GLU 14 Cb -0.16 -2.93 -0.05 0.00 -4.31 0.00 0.00 34.13 26.68 1xpw s GLU 14 CO 0.11 0.67 0.55 0.14 0.01 0.00 0.00 175.26 176.74 1xpw s VAL 15 N -1.17 5.02 0.27 2.63 -7.23 -1.26 -1.03 120.40 117.64 1xpw s VAL 15 Ca 0.22 1.14 0.03 0.00 -1.81 0.00 0.00 61.98 61.55 1xpw s VAL 15 Cb -0.12 -3.89 -0.06 0.00 0.56 0.00 0.00 36.38 32.88 1xpw s VAL 15 CO 0.13 0.38 0.05 -0.51 -0.31 0.00 0.00 175.10 174.84 1xpw s ILE 16 N 0.10 0.92 0.00 -0.62 2.07 0.48 -4.95 121.20 119.20 1xpw s ILE 16 Ca 0.29 -2.01 0.00 0.00 -1.41 0.00 0.00 60.65 57.52 1xpw s ILE 16 Cb -0.17 -2.59 0.00 0.00 0.13 0.00 0.00 42.46 39.83 1xpw s ILE 16 CO 0.15 -0.11 0.00 -0.11 -1.91 0.00 0.00 174.94 172.96 1xpw n LEU 17 N -0.52 0.00 -2.83 8.50 7.94 -1.26 -2.28 117.00 126.55 1xpw n LEU 17 Ca -0.02 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.86 1xpw n LEU 17 Cb 0.66 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.59 1xpw n LEU 17 CO 0.39 0.00 -0.47 0.00 -1.11 0.00 0.00 177.39 176.20 1xpw n ALA 18 N 2.82 -2.86 0.21 1.96 0.00 -1.26 -4.83 120.51 116.55 1xpw n ALA 18 Ca 0.00 0.96 0.15 0.00 0.00 0.00 0.00 53.44 54.55 1xpw n ALA 18 Cb 0.00 -2.05 0.80 0.00 0.00 0.00 0.00 19.45 18.19 1xpw n ALA 18 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xpw h THR 19 N 3.86 0.62 -1.68 0.00 1.35 -1.77 -3.35 112.91 111.94 1xpw h THR 19 Ca -0.19 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.44 1xpw h THR 19 Cb 0.60 0.89 -0.28 0.00 -1.73 0.00 0.00 68.15 67.64 1xpw h THR 19 CO 0.04 0.00 -0.57 -0.55 -0.25 0.00 0.00 175.52 174.18 1xpw s SER 20 N -6.17 0.37 -0.44 5.36 0.15 -1.26 -5.04 113.70 106.66 1xpw s SER 20 Ca -0.05 -0.84 -0.19 0.00 0.70 0.00 0.00 55.95 55.57 1xpw s SER 20 Cb 0.16 1.05 0.03 0.00 -1.71 0.00 0.00 66.02 65.55 1xpw s SER 20 CO 0.59 -0.30 0.55 -0.55 1.20 0.00 0.00 173.24 174.74 1xpw s SER 21 N 2.08 6.25 0.12 5.45 0.15 -1.26 -4.94 113.70 121.55 1xpw s SER 21 Ca 0.13 -0.59 -0.05 0.00 0.70 0.00 0.00 55.95 56.15 1xpw s SER 21 Cb -0.12 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.86 1xpw s SER 21 CO -0.18 -0.71 0.35 -0.62 1.20 0.00 0.00 173.24 173.28 1xpw s ASP 22 N 2.04 6.49 0.24 5.45 -1.08 -0.96 -5.00 116.67 123.84 1xpw s ASP 22 Ca 0.17 0.57 -0.07 0.00 -0.52 0.00 0.00 52.55 52.70 1xpw s ASP 22 Cb -0.16 -2.08 0.26 0.00 -1.46 0.00 0.00 42.92 39.47 1xpw s ASP 22 CO 0.15 0.09 1.89 -0.33 0.52 0.00 0.00 175.17 177.49 1xpw h GLU 23 N 2.99 1.13 -0.19 4.34 3.07 -2.00 -2.62 114.58 121.30 1xpw h GLU 23 Ca -0.46 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 1xpw h GLU 23 Cb 1.17 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1xpw h GLU 23 CO 0.72 0.75 0.00 1.63 -1.40 0.00 0.00 179.01 180.71 1xpw n LYS 24 N -4.50 1.73 -3.35 2.33 5.02 -1.26 -4.52 118.16 113.61 1xpw n LYS 24 Ca 0.11 -1.71 -0.26 0.00 -2.02 0.00 0.00 58.31 54.44 1xpw n LYS 24 Cb 0.07 -1.31 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 1xpw n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xpw n HIS 25 N 0.84 0.93 -3.66 2.13 8.25 -1.01 -4.81 115.22 117.89 1xpw n HIS 25 Ca 0.11 -3.74 -0.32 0.00 -0.26 0.00 0.00 57.72 53.51 1xpw n HIS 25 Cb 0.41 -0.32 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 1xpw n HIS 25 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1xpw s PRO 26 N -1.34 3.63 0.00 -0.41 0.04 -1.06 -2.27 135.00 133.59 1xpw s PRO 26 Ca 0.35 -0.07 0.21 0.00 0.04 0.00 0.00 61.00 61.53 1xpw s PRO 26 Cb 0.12 -2.85 1.23 0.00 0.04 0.00 0.00 34.50 33.04 1xpw s PRO 26 CO -0.11 0.47 1.67 -2.30 0.04 0.00 0.00 177.00 176.78 1xpw n PRO 27 N 0.14 0.80 -0.16 0.56 -0.02 -1.26 -3.62 135.00 131.43 1xpw n PRO 27 Ca -0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.40 1xpw n PRO 27 Cb 0.52 -1.41 0.14 0.00 -0.02 0.00 0.00 33.50 32.73 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 0.91 -0.01 -0.52 4.57 -1.98 -2.50 114.58 115.06 1xpw h GLU 28 Ca 0.00 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1xpw h GLU 28 Cb 0.00 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1xpw h GLU 28 CO 0.00 0.85 0.00 0.09 -1.18 0.00 0.00 179.01 178.77 1xpw n ASN 29 N -4.24 0.12 0.10 1.04 4.13 -1.24 -2.76 115.26 112.42 1xpw n ASN 29 Ca 0.04 -1.23 -0.02 0.00 1.68 0.00 0.00 54.58 55.04 1xpw n ASN 29 Cb 0.27 -0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.47 1xpw n ASN 29 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1xpw h ILE 30 N 0.18 1.32 -0.01 2.41 2.04 -1.45 -3.26 117.51 118.74 1xpw h ILE 30 Ca 0.00 -2.83 0.00 0.00 1.00 0.00 0.00 64.86 63.03 1xpw h ILE 30 Cb 0.04 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1xpw h ILE 30 CO 0.00 0.74 -0.27 2.30 0.00 0.00 0.00 178.15 180.92 1xpw n ILE 31 N -3.31 0.00 -0.04 -0.67 -5.35 -1.11 -4.13 119.36 104.74 1xpw n ILE 31 Ca 0.01 -0.36 -0.02 0.00 -0.27 0.00 0.00 62.75 62.11 1xpw n ILE 31 Cb 0.83 1.14 -0.15 0.00 -1.74 0.00 0.00 39.64 39.73 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1xpw n ASP 32 N -0.25 0.21 -0.19 7.28 5.75 -1.19 0.25 116.55 128.40 1xpw n ASP 32 Ca 0.05 0.09 -0.03 0.00 -0.01 0.00 0.00 54.79 54.90 1xpw n ASP 32 Cb 0.26 1.09 -0.01 0.00 -1.03 0.00 0.00 41.12 41.42 1xpw n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xpw n GLY 33 N 1.53 0.58 3.85 6.12 0.00 -1.23 -4.95 105.19 111.09 1xpw n GLY 33 Ca -0.19 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1xpw n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xpw s ASN 34 N -2.49 6.68 0.00 1.61 0.01 -1.26 -4.96 114.94 114.53 1xpw s ASN 34 Ca 0.00 0.81 0.00 0.00 -0.71 0.00 0.00 52.86 52.96 1xpw s ASN 34 Cb 0.00 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.47 1xpw s ASN 34 CO 0.00 0.32 0.34 -2.65 -1.51 0.00 0.00 177.10 173.60 1xpw n PRO 35 N 1.70 0.65 0.07 -0.60 -0.02 -1.26 -4.19 135.00 131.34 1xpw n PRO 35 Ca -0.14 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.31 1xpw n PRO 35 Cb 0.53 -1.31 -0.01 0.00 -0.02 0.00 0.00 33.50 32.69 1xpw n PRO 35 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xpw h GLU 36 N 0.34 -0.16 -4.85 -0.52 4.57 -1.96 -3.47 114.58 108.52 1xpw h GLU 36 Ca 0.00 0.01 -0.43 0.00 -1.18 0.00 0.00 59.36 57.76 1xpw h GLU 36 Cb 0.31 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 28.80 1xpw h GLU 36 CO 0.00 -0.11 -0.52 0.99 -1.18 0.00 0.00 179.01 178.19 1xpw s THR 37 N -3.20 0.08 0.04 0.32 2.01 -1.26 -5.18 115.64 108.45 1xpw s THR 37 Ca -0.02 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 59.95 1xpw s THR 37 Cb 0.00 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1xpw s THR 37 CO 0.07 0.00 0.02 0.72 -0.69 0.00 0.00 174.62 174.74 1xpw s PHE 38 N -3.59 0.33 -0.44 4.92 -0.12 -1.26 -4.81 117.98 113.01 1xpw s PHE 38 Ca 0.39 -0.72 -0.21 0.00 -0.05 0.00 0.00 56.93 56.33 1xpw s PHE 38 Cb 0.04 -0.24 0.03 0.00 -0.63 0.00 0.00 43.02 42.21 1xpw s PHE 38 CO 0.23 -0.32 0.69 -0.46 -0.05 0.00 0.00 175.22 175.30 1xpw s TRP 39 N -2.78 3.04 0.00 3.49 -0.00 -0.26 -4.36 118.94 118.06 1xpw s TRP 39 Ca -0.04 -0.00 0.02 0.00 -0.00 0.00 0.00 56.10 56.09 1xpw s TRP 39 Cb -0.00 -3.45 -0.03 0.00 -0.00 0.00 0.00 33.47 29.98 1xpw s TRP 39 CO -0.06 -0.91 -0.03 -0.08 -0.00 0.00 0.00 176.95 175.87 1xpw s THR 40 N 2.97 3.93 0.39 5.86 -1.32 -1.26 -0.44 115.64 125.76 1xpw s THR 40 Ca 0.25 -0.68 -0.24 0.00 -1.21 0.00 0.00 61.69 59.81 1xpw s THR 40 Cb -0.14 -2.73 -0.09 0.00 -1.51 0.00 0.00 72.50 68.03 1xpw s THR 40 CO 0.20 0.39 1.02 0.42 -2.21 0.00 0.00 174.62 174.44 1xpw s THR 41 N -1.04 3.86 -1.12 5.08 -4.23 0.03 -4.93 115.64 113.28 1xpw s THR 41 Ca 0.18 1.40 0.23 0.00 -1.18 0.00 0.00 61.69 62.33 1xpw s THR 41 Cb -0.11 -3.72 0.25 0.00 1.34 0.00 0.00 72.50 70.26 1xpw s THR 41 CO 0.09 -0.01 1.74 0.35 -0.54 0.00 0.00 174.62 176.25 1xpw n THR 42 N -0.06 0.38 0.00 3.99 -2.24 -1.26 -4.54 114.28 110.55 1xpw n THR 42 Ca 0.05 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1xpw n THR 42 Cb 0.50 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.81 1.02 2.99 3.38 0.00 -1.26 -5.03 105.19 107.10 1xpw n GLY 43 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1xpw n GLY 43 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1xpw n MET 44 N -1.96 3.58 -2.27 1.61 0.00 -1.26 -5.05 117.12 111.77 1xpw n MET 44 Ca 0.00 -4.54 -0.38 0.00 0.00 0.00 0.00 57.70 52.78 1xpw n MET 44 Cb 0.00 -2.45 -0.02 0.00 0.00 0.00 0.00 33.22 30.75 1xpw n MET 44 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1xpw s PHE 45 N -2.16 3.01 0.31 1.12 0.08 -1.26 -4.09 117.98 114.99 1xpw s PHE 45 Ca 0.32 1.54 -0.10 0.00 0.12 0.00 0.00 56.93 58.80 1xpw s PHE 45 Cb 0.01 -3.41 -0.07 0.00 -0.57 0.00 0.00 43.02 38.98 1xpw s PHE 45 CO 0.00 -1.41 0.66 -1.25 -0.10 0.00 0.00 175.22 173.12 1xpw s PRO 46 N -2.37 3.82 -0.06 0.24 0.04 -1.26 -5.09 135.00 130.33 1xpw s PRO 46 Ca 0.58 0.38 0.03 0.00 0.04 0.00 0.00 61.00 62.03 1xpw s PRO 46 Cb -0.31 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 31.72 1xpw s PRO 46 CO 0.39 0.16 -0.13 -0.65 0.04 0.00 0.00 177.00 176.80 1xpw s GLN 47 N -3.29 1.67 0.29 4.56 -0.21 -0.55 -4.99 119.66 117.14 1xpw s GLN 47 Ca 0.50 -0.44 0.06 0.00 0.02 0.00 0.00 55.36 55.49 1xpw s GLN 47 Cb -0.11 -1.39 -0.06 0.00 1.00 0.00 0.00 33.01 32.45 1xpw s GLN 47 CO 0.25 0.07 -0.02 -1.83 -2.12 0.00 0.00 175.29 171.64 1xpw s GLU 48 N 0.52 1.58 -0.02 2.91 -1.05 -1.26 -1.49 118.70 119.89 1xpw s GLU 48 Ca -0.12 -1.83 -0.24 0.00 -0.15 0.00 0.00 54.97 52.64 1xpw s GLU 48 Cb -0.15 -1.06 0.05 0.00 -0.44 0.00 0.00 34.13 32.54 1xpw s GLU 48 CO 0.03 -0.04 0.51 -0.59 0.95 0.00 0.00 175.26 176.13 1xpw s PHE 49 N -3.11 -0.44 -0.05 4.83 -0.71 -0.61 -2.10 117.98 115.80 1xpw s PHE 49 Ca 0.31 0.70 0.06 0.00 -1.04 0.00 0.00 56.93 56.96 1xpw s PHE 49 Cb 0.06 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 1xpw s PHE 49 CO 0.13 -0.53 -0.22 0.42 -1.34 0.00 0.00 175.22 173.67 1xpw s ILE 50 N -1.45 2.36 -0.09 -4.49 1.01 -0.97 -0.74 121.20 116.83 1xpw s ILE 50 Ca -0.11 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.61 1xpw s ILE 50 Cb -0.02 -1.87 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 1xpw s ILE 50 CO 0.06 0.58 -0.23 -0.63 0.00 0.00 0.00 174.94 174.72 1xpw s ILE 51 N -0.42 1.94 -0.21 2.92 1.01 0.43 -0.39 121.20 126.49 1xpw s ILE 51 Ca 0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1xpw s ILE 51 Cb -0.12 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 1xpw s ILE 51 CO 0.01 0.53 0.00 0.00 0.00 0.00 0.00 174.94 175.49 1xpw h PHE 53 N 7.58 0.00 0.00 0.00 0.04 -0.85 -1.67 116.94 122.05 1xpw h PHE 53 Ca -0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.41 1xpw h PHE 53 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1xpw h PHE 53 CO 0.59 0.00 0.00 1.58 -0.60 0.00 0.00 178.31 179.88 1xpw n HIS 54 N -2.55 0.00 -3.81 -0.55 -0.00 -1.25 -4.31 115.22 102.74 1xpw n HIS 54 Ca 0.03 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.14 1xpw n HIS 54 Cb 0.36 -0.58 -0.02 0.00 -0.12 0.00 0.00 29.99 29.63 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 -0.44 1.72 -0.51 1.57 -2.85 -1.26 -4.08 119.74 113.90 1xpw s LYS 55 Ca 0.00 -0.94 -0.25 0.00 -1.00 0.00 0.00 55.97 53.78 1xpw s LYS 55 Cb 0.00 0.60 0.03 0.00 -2.06 0.00 0.00 37.83 36.41 1xpw s LYS 55 CO 0.00 -0.78 0.96 -1.01 0.10 0.00 0.00 175.35 174.62 1xpw s HIS 56 N -3.90 2.84 0.13 1.78 3.76 -0.18 -4.40 115.29 115.32 1xpw s HIS 56 Ca 0.10 0.26 0.08 0.00 -0.15 0.00 0.00 55.06 55.35 1xpw s HIS 56 Cb -0.05 -4.08 -0.04 0.00 1.11 0.00 0.00 32.58 29.52 1xpw s HIS 56 CO 0.05 -1.24 -0.13 0.14 -0.85 0.00 0.00 174.74 172.70 1xpw s VAL 57 N 3.97 3.12 -0.35 -0.90 -7.23 -1.19 -0.04 120.40 117.78 1xpw s VAL 57 Ca 0.36 -1.45 -0.14 0.00 -1.81 0.00 0.00 61.98 58.94 1xpw s VAL 57 Cb -0.11 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 1xpw s VAL 57 CO 0.24 0.06 0.28 -0.60 -0.31 0.00 0.00 175.10 174.76 1xpw s ARG 58 N -2.33 3.47 -0.17 4.82 3.52 0.32 -2.79 118.95 125.79 1xpw s ARG 58 Ca 0.21 -0.62 -0.20 0.00 -0.13 0.00 0.00 55.73 54.99 1xpw s ARG 58 Cb -0.10 -3.82 -0.03 0.00 -1.56 0.00 0.00 34.95 29.44 1xpw s ARG 58 CO 0.13 -0.49 0.60 0.42 -0.81 0.00 0.00 175.30 175.15 1xpw s ILE 59 N 1.80 5.06 -0.21 4.11 1.01 0.67 -1.85 121.20 131.79 1xpw s ILE 59 Ca 0.08 1.15 0.07 0.00 0.00 0.00 0.00 60.65 61.95 1xpw s ILE 59 Cb -0.17 -3.92 -0.18 0.00 0.01 0.00 0.00 42.46 38.19 1xpw s ILE 59 CO 0.11 0.16 -0.10 1.21 0.00 0.00 0.00 174.94 176.32 1xpw n GLU 60 N 4.70 0.77 -3.55 2.79 4.07 0.16 -1.76 120.64 127.82 1xpw n GLU 60 Ca -0.03 0.08 -0.15 0.00 -0.06 0.00 0.00 57.16 57.00 1xpw n GLU 60 Cb 0.50 -1.46 -0.06 0.00 -0.06 0.00 0.00 31.44 30.36 1xpw n GLU 60 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1xpw s ARG 61 N -2.45 0.87 -0.18 5.31 3.52 -0.91 -2.78 118.95 122.32 1xpw s ARG 61 Ca -0.22 0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.62 1xpw s ARG 61 Cb 0.07 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 1xpw s ARG 61 CO 0.62 -0.27 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.18 1xpw s LEU 62 N -1.09 2.38 -0.62 -0.88 1.02 0.49 -0.34 118.68 119.63 1xpw s LEU 62 Ca -0.07 -0.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.32 1xpw s LEU 62 Cb -0.00 -1.55 0.08 0.00 0.02 0.00 0.00 46.19 44.74 1xpw s LEU 62 CO 0.06 0.02 0.83 -0.69 0.02 0.00 0.00 176.35 176.59 1xpw s VAL 63 N 1.20 4.57 -0.43 -1.59 1.01 0.48 -0.40 120.40 125.24 1xpw s VAL 63 Ca 0.02 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1xpw s VAL 63 Cb -0.14 -4.58 0.02 0.00 0.00 0.00 0.00 36.38 31.69 1xpw s VAL 63 CO -0.07 -1.28 0.54 -0.63 0.00 0.00 0.00 175.10 173.66 1xpw s ILE 64 N 3.37 4.96 -0.55 2.22 -1.09 0.16 -0.43 121.20 129.84 1xpw s ILE 64 Ca 0.17 -0.12 -0.18 0.00 -2.23 0.00 0.00 60.65 58.29 1xpw s ILE 64 Cb -0.20 -4.13 0.09 0.00 -1.58 0.00 0.00 42.46 36.64 1xpw s ILE 64 CO 0.09 -0.51 0.62 -1.10 -1.23 0.00 0.00 174.94 172.80 1xpw s GLN 65 N 2.48 3.05 0.17 2.79 -0.21 -0.62 -0.91 119.66 126.41 1xpw s GLN 65 Ca 0.17 -1.25 -0.06 0.00 0.02 0.00 0.00 55.36 54.25 1xpw s GLN 65 Cb -0.16 -4.21 -0.02 0.00 1.00 0.00 0.00 33.01 29.62 1xpw s GLN 65 CO 0.16 -1.37 0.20 -1.12 -2.12 0.00 0.00 175.29 171.05 1xpw s SER 66 N 3.24 0.13 -0.11 5.90 0.01 -1.19 -0.45 113.70 121.24 1xpw s SER 66 Ca 0.11 -1.06 -0.02 0.00 1.31 0.00 0.00 55.95 56.29 1xpw s SER 66 Cb -0.23 0.39 0.04 0.00 0.21 0.00 0.00 66.02 66.43 1xpw s SER 66 CO 0.07 -0.85 0.01 -0.47 0.41 0.00 0.00 173.24 172.41 1xpw s TYR 67 N -4.02 0.76 -0.32 2.43 5.04 0.16 -3.60 117.35 117.80 1xpw s TYR 67 Ca 0.23 -0.35 -0.05 0.00 -2.44 0.00 0.00 57.07 54.45 1xpw s TYR 67 Cb 0.05 -0.86 0.01 0.00 0.35 0.00 0.00 41.96 41.50 1xpw s TYR 67 CO 0.03 -0.41 0.17 1.19 -1.34 0.00 0.00 175.55 175.19 1xpw n PHE 68 N 5.12 -3.49 -3.51 4.97 3.72 -1.26 -1.63 117.46 121.39 1xpw n PHE 68 Ca -0.08 1.51 0.00 0.00 -0.05 0.00 0.00 57.45 58.83 1xpw n PHE 68 Cb 0.49 -3.69 0.00 0.00 -0.94 0.00 0.00 39.48 35.34 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 0.48 0.00 0.00 -4.37 0.31 -1.26 -4.10 118.33 109.39 1xpw n VAL 69 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1xpw n VAL 69 Cb 0.18 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 -0.04 0.00 -2.76 5.55 7.27 -0.95 -1.26 117.38 125.20 1xpw n GLN 70 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1xpw n GLN 70 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 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 0.53 4.26 -0.36 1.69 2.01 -0.88 -3.80 115.64 119.10 1xpw s THR 71 Ca 0.00 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.14 1xpw s THR 71 Cb 0.00 -4.85 0.00 0.00 0.01 0.00 0.00 72.50 67.67 1xpw s THR 71 CO 0.00 -1.66 0.23 -0.22 -0.69 0.00 0.00 174.62 172.29 1xpw s LEU 72 N 4.11 4.64 -0.42 4.42 2.96 -0.30 -1.16 118.68 132.94 1xpw s LEU 72 Ca 0.34 -0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 53.40 1xpw s LEU 72 Cb -0.07 -2.10 0.03 0.00 0.50 0.00 0.00 46.19 44.55 1xpw s LEU 72 CO -0.01 -0.32 0.33 -0.75 -1.32 0.00 0.00 176.35 174.29 1xpw s LYS 73 N 1.66 2.99 -0.37 1.98 2.20 0.43 -0.55 119.74 128.09 1xpw s LYS 73 Ca 0.05 -1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 54.49 1xpw s LYS 73 Cb -0.18 -3.99 -0.00 0.00 -1.51 0.00 0.00 37.83 32.14 1xpw s LYS 73 CO 0.09 -0.80 0.36 0.42 -0.36 0.00 0.00 175.35 175.06 1xpw s ILE 74 N 1.75 5.17 0.00 5.43 1.01 -0.15 -0.66 121.20 133.75 1xpw s ILE 74 Ca 0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.48 1xpw s ILE 74 Cb -0.19 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 1xpw s ILE 74 CO 0.10 -0.18 0.32 -0.70 0.00 0.00 0.00 174.94 174.49 1xpw s GLU 75 N 1.98 3.71 -0.02 2.79 2.56 0.45 -1.18 118.70 129.00 1xpw s GLU 75 Ca 0.11 0.13 0.06 0.00 0.00 0.00 0.00 54.97 55.27 1xpw s GLU 75 Cb -0.17 -3.12 -0.01 0.00 2.00 0.00 0.00 34.13 32.82 1xpw s GLU 75 CO 0.12 0.66 -0.18 0.21 -0.56 0.00 0.00 175.26 175.51 1xpw s LYS 76 N -1.45 1.51 -0.01 4.30 2.20 0.48 -0.59 119.74 126.18 1xpw s LYS 76 Ca 0.25 -0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1xpw s LYS 76 Cb -0.14 -1.45 -0.00 0.00 -1.51 0.00 0.00 37.83 34.73 1xpw s LYS 76 CO 0.14 0.39 0.04 0.45 -0.36 0.00 0.00 175.35 176.01 1xpw s SER 77 N -0.41 0.04 -0.08 1.43 0.15 -0.47 -0.41 113.70 113.93 1xpw s SER 77 Ca 0.07 -0.10 0.13 0.00 0.70 0.00 0.00 55.95 56.75 1xpw s SER 77 Cb -0.07 0.11 0.41 0.00 -1.71 0.00 0.00 66.02 64.76 1xpw s SER 77 CO -0.01 -0.13 1.34 0.35 1.20 0.00 0.00 173.24 175.98 1xpw n THR 78 N 2.47 1.58 -2.20 6.45 -2.24 -1.26 -0.72 114.28 118.36 1xpw n THR 78 Ca -0.17 -1.39 -0.27 0.00 -2.27 0.00 0.00 64.05 59.96 1xpw n THR 78 Cb 0.58 0.16 0.06 0.00 -2.10 0.00 0.00 70.33 69.03 1xpw n THR 78 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xpw s SER 79 N -1.40 5.09 0.12 3.42 0.15 -1.26 -4.78 113.70 115.03 1xpw s SER 79 Ca 0.32 0.63 0.25 0.00 0.70 0.00 0.00 55.95 57.85 1xpw s SER 79 Cb 0.22 -1.39 0.44 0.00 -1.71 0.00 0.00 66.02 63.58 1xpw s SER 79 CO 0.13 -1.44 1.41 0.29 1.20 0.00 0.00 173.24 174.83 1xpw n LYS 80 N -2.87 0.26 -3.82 5.44 5.02 -1.26 -4.66 118.16 116.28 1xpw n LYS 80 Ca 0.07 0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 1xpw n LYS 80 Cb 0.59 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 1xpw n LYS 80 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xpw s GLU 81 N -3.14 3.51 -0.06 1.97 0.41 -1.26 -4.99 118.70 115.14 1xpw s GLU 81 Ca 0.07 -0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.33 1xpw s GLU 81 Cb 0.14 -2.96 0.06 0.00 -1.78 0.00 0.00 34.13 29.58 1xpw s GLU 81 CO 0.70 0.55 1.60 -0.35 -0.49 0.00 0.00 175.26 177.27 1xpw n PRO 82 N 0.17 1.16 -4.16 0.39 -0.04 -1.26 -4.83 135.00 126.43 1xpw n PRO 82 Ca -0.04 -0.33 -0.10 0.00 -0.04 0.00 0.00 63.50 62.99 1xpw n PRO 82 Cb 0.51 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.43 0.54 -0.12 0.52 -7.23 -1.26 -5.03 120.40 107.38 1xpw s VAL 83 Ca 0.06 -1.91 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 1xpw s VAL 83 Cb 0.05 -1.72 0.03 0.00 0.56 0.00 0.00 36.38 35.31 1xpw s VAL 83 CO 0.00 -0.83 0.17 -0.67 -0.31 0.00 0.00 175.10 173.46 1xpw n ASP 84 N -0.03 -1.81 -4.19 4.85 2.03 -1.26 -4.91 116.55 111.23 1xpw n ASP 84 Ca -0.11 1.13 -0.23 0.00 0.52 0.00 0.00 54.79 56.09 1xpw n ASP 84 Cb 0.61 -4.36 -0.14 0.00 -0.72 0.00 0.00 41.12 36.51 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 -0.51 1.52 0.16 -0.67 0.40 -1.26 -4.75 117.98 112.87 1xpw s PHE 85 Ca -0.19 -0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 55.72 1xpw s PHE 85 Cb 0.01 -0.92 -0.06 0.00 0.51 0.00 0.00 43.02 42.57 1xpw s PHE 85 CO 0.53 0.05 0.43 -1.21 0.70 0.00 0.00 175.22 175.72 1xpw s GLU 86 N -1.03 3.69 -0.22 0.44 0.41 0.45 -4.88 118.70 117.55 1xpw s GLU 86 Ca 0.05 0.05 -0.29 0.00 -0.41 0.00 0.00 54.97 54.36 1xpw s GLU 86 Cb -0.08 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 1xpw s GLU 86 CO 0.01 0.43 1.12 1.14 -0.49 0.00 0.00 175.26 177.47 1xpw s GLN 87 N -2.62 4.22 -0.01 1.61 1.03 -1.26 -0.39 119.66 122.25 1xpw s GLN 87 Ca 0.42 1.41 -0.01 0.00 0.04 0.00 0.00 55.36 57.23 1xpw s GLN 87 Cb -0.12 -3.69 -0.00 0.00 0.03 0.00 0.00 33.01 29.22 1xpw s GLN 87 CO 0.23 -0.70 -0.01 1.87 -2.54 0.00 0.00 175.29 174.14 1xpw n TRP 88 N 6.51 0.01 -3.58 9.60 -0.00 -0.32 -4.89 117.44 124.76 1xpw n TRP 88 Ca 0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.34 1xpw n TRP 88 Cb 0.46 -0.08 -0.14 0.00 -0.00 0.00 0.00 31.31 31.54 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 -1.07 0.26 -0.39 5.87 1.01 -0.91 -5.00 121.20 120.97 1xpw s ILE 89 Ca -0.01 -1.16 -0.11 0.00 0.00 0.00 0.00 60.65 59.37 1xpw s ILE 89 Cb 0.00 -1.21 0.04 0.00 0.01 0.00 0.00 42.46 41.30 1xpw s ILE 89 CO 0.01 -0.77 0.23 -1.83 0.00 0.00 0.00 174.94 172.58 1xpw s GLU 90 N 1.72 2.76 0.14 2.79 -1.05 -1.26 -0.97 118.70 122.84 1xpw s GLU 90 Ca 0.11 -1.21 -0.18 0.00 -0.15 0.00 0.00 54.97 53.55 1xpw s GLU 90 Cb -0.18 -3.76 0.04 0.00 -0.44 0.00 0.00 34.13 29.79 1xpw s GLU 90 CO -0.26 -0.79 0.46 -1.59 0.95 0.00 0.00 175.26 174.03 1xpw s LYS 91 N 1.52 1.16 -0.43 -4.83 0.00 0.29 -4.92 119.74 112.52 1xpw s LYS 91 Ca 0.02 -0.67 0.02 0.00 0.00 0.00 0.00 55.97 55.35 1xpw s LYS 91 Cb -0.21 0.50 0.12 0.00 0.00 0.00 0.00 37.83 38.25 1xpw s LYS 91 CO 0.05 -0.47 0.18 0.16 0.00 0.00 0.00 175.35 175.27 1xpw s ASP 92 N -2.80 4.75 -0.41 0.03 -4.77 -1.25 -1.15 116.67 111.07 1xpw s ASP 92 Ca 0.03 -2.47 0.02 0.00 -3.30 0.00 0.00 52.55 46.83 1xpw s ASP 92 Cb 0.01 -1.68 0.12 0.00 -1.09 0.00 0.00 42.92 40.27 1xpw s ASP 92 CO -0.11 -0.36 0.18 -1.48 0.70 0.00 0.00 175.17 174.10 1xpw s LEU 93 N 0.47 3.36 -0.31 2.11 0.05 -1.25 -4.96 118.68 118.15 1xpw s LEU 93 Ca 0.13 -2.41 -0.02 0.00 0.05 0.00 0.00 54.13 51.88 1xpw s LEU 93 Cb -0.22 -1.25 0.10 0.00 -2.05 0.00 0.00 46.19 42.78 1xpw s LEU 93 CO -0.05 -0.31 0.13 -0.69 -0.55 0.00 0.00 176.35 174.88 1xpw s VAL 94 N 0.59 0.34 -0.63 1.48 1.01 -1.26 -4.96 120.40 116.97 1xpw s VAL 94 Ca 0.14 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1xpw s VAL 94 Cb -0.22 -1.28 0.16 0.00 0.00 0.00 0.00 36.38 35.04 1xpw s VAL 94 CO -0.07 -0.74 0.45 -1.38 0.00 0.00 0.00 175.10 173.36 1xpw s HIS 95 N 1.77 3.43 -0.21 5.22 -3.43 -1.26 -5.03 115.29 115.78 1xpw s HIS 95 Ca 0.10 -2.67 -0.02 0.00 -0.80 0.00 0.00 55.06 51.68 1xpw s HIS 95 Cb -0.17 -3.23 0.06 0.00 -1.43 0.00 0.00 32.58 27.81 1xpw s HIS 95 CO -0.28 -0.85 0.02 0.95 -2.00 0.00 0.00 174.74 172.57 1xpw s THR 96 N -0.02 0.83 -0.48 -5.38 -4.23 -1.26 -4.93 115.64 100.17 1xpw s THR 96 Ca 0.17 -0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 59.76 1xpw s THR 96 Cb -0.20 -1.30 0.12 0.00 1.34 0.00 0.00 72.50 72.46 1xpw s THR 96 CO -0.04 -0.22 0.38 -1.83 -0.54 0.00 0.00 174.62 172.37 1xpw s GLU 97 N 1.71 2.61 -1.45 3.99 -1.05 -1.26 -4.64 118.70 118.61 1xpw s GLU 97 Ca -0.02 -1.72 -0.09 0.00 -0.15 0.00 0.00 54.97 52.99 1xpw s GLU 97 Cb -0.18 -4.00 0.05 0.00 -0.44 0.00 0.00 34.13 29.55 1xpw s GLU 97 CO -0.09 -1.20 0.71 0.41 0.95 0.00 0.00 175.26 176.04 1xpw n GLY 98 N 4.99 -0.51 2.84 -3.83 0.00 -1.26 -4.96 105.19 102.46 1xpw n GLY 98 Ca -0.09 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.07 -0.01 -0.67 1.61 0.74 -1.26 -5.10 119.66 108.91 1xpw s GLN 99 Ca 0.44 0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.67 1xpw s GLN 99 Cb -0.22 -0.09 0.04 0.00 1.10 0.00 0.00 33.01 33.85 1xpw s GLN 99 CO 0.55 -0.06 1.14 -1.17 -0.55 0.00 0.00 175.29 175.20 1xpw s LEU 100 N 0.39 3.65 -0.42 3.68 2.96 -1.26 -4.82 118.68 122.86 1xpw s LEU 100 Ca -0.03 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 53.22 1xpw s LEU 100 Cb -0.05 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 44.00 1xpw s LEU 100 CO -0.01 -1.59 0.49 -1.58 -1.32 0.00 0.00 176.35 172.33 1xpw s GLN 101 N 4.93 3.16 -0.60 1.98 2.00 -1.24 -5.00 119.66 124.90 1xpw s GLN 101 Ca 0.32 -0.65 -0.19 0.00 -2.00 0.00 0.00 55.36 52.85 1xpw s GLN 101 Cb -0.11 -3.96 0.11 0.00 0.80 0.00 0.00 33.01 29.85 1xpw s GLN 101 CO 0.16 -0.88 0.71 0.54 -0.50 0.00 0.00 175.29 175.32 1xpw s ASN 102 N 1.85 6.20 -0.05 6.67 2.20 -1.25 -3.17 114.94 127.39 1xpw s ASN 102 Ca 0.15 -1.48 -0.17 0.00 -0.94 0.00 0.00 52.86 50.42 1xpw s ASN 102 Cb -0.16 -2.30 -0.05 0.00 -2.00 0.00 0.00 41.25 36.74 1xpw s ASN 102 CO 0.15 -1.10 0.46 -0.70 -2.94 0.00 0.00 177.10 172.97 1xpw s GLU 103 N 2.61 4.16 -0.60 3.55 2.56 -0.08 -4.74 118.70 126.16 1xpw s GLU 103 Ca 0.12 0.47 -0.19 0.00 0.00 0.00 0.00 54.97 55.37 1xpw s GLU 103 Cb -0.24 -3.33 0.11 0.00 2.00 0.00 0.00 34.13 32.67 1xpw s GLU 103 CO 0.06 0.43 0.72 -1.21 -0.56 0.00 0.00 175.26 174.69 1xpw s GLU 104 N -0.26 3.07 -0.58 4.30 2.02 -1.26 -0.67 118.70 125.32 1xpw s GLU 104 Ca 0.25 -1.35 -0.23 0.00 0.02 0.00 0.00 54.97 53.67 1xpw s GLU 104 Cb -0.16 -4.28 0.05 0.00 0.10 0.00 0.00 34.13 29.84 1xpw s GLU 104 CO 0.13 -1.55 0.92 0.42 0.02 0.00 0.00 175.26 175.20 1xpw s ILE 105 N 2.67 4.41 -0.83 -1.63 1.01 0.46 -4.88 121.20 122.40 1xpw s ILE 105 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 1xpw s ILE 105 Cb -0.23 -4.57 0.03 0.00 0.01 0.00 0.00 42.46 37.70 1xpw s ILE 105 CO 0.06 -1.20 1.39 -0.69 0.00 0.00 0.00 174.94 174.49 1xpw s VAL 106 N 3.88 3.76 -0.01 2.92 1.01 -1.26 -0.38 120.40 130.32 1xpw s VAL 106 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1xpw s VAL 106 Cb -0.14 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.35 1xpw s VAL 106 CO 0.16 -1.81 -0.01 0.00 0.00 0.00 0.00 175.10 173.43 1xpw s ALA 107 N 5.80 0.15 -0.23 5.51 0.00 -1.12 -4.97 121.76 126.91 1xpw s ALA 107 Ca 0.41 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 1xpw s ALA 107 Cb -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1xpw s ALA 107 CO 0.07 0.02 0.20 -1.01 0.00 0.00 0.00 175.76 175.03 1xpw s HIS 108 N 0.13 3.34 -0.28 0.00 3.76 -1.26 -3.46 115.29 117.52 1xpw s HIS 108 Ca -0.01 0.32 -0.22 0.00 -0.15 0.00 0.00 55.06 55.00 1xpw s HIS 108 Cb -0.03 -2.30 0.12 0.00 1.11 0.00 0.00 32.58 31.48 1xpw s HIS 108 CO -0.00 0.09 0.97 0.20 -0.85 0.00 0.00 174.74 175.14 1xpw s GLY 109 N 0.95 -0.18 -0.09 -2.22 0.00 -0.72 -4.99 107.32 100.07 1xpw s GLY 109 Ca 0.10 2.74 -0.17 0.00 0.00 0.00 0.00 44.72 47.39 1xpw s GLY 109 CO 0.04 2.08 0.44 -1.35 0.00 0.00 0.00 173.10 174.31 1xpw s SER 110 N 0.66 6.70 0.11 1.64 1.04 -1.26 -0.23 113.70 122.35 1xpw s SER 110 Ca -0.01 0.83 -0.18 0.00 0.48 0.00 0.00 55.95 57.07 1xpw s SER 110 Cb -0.05 -2.27 0.04 0.00 0.10 0.00 0.00 66.02 63.85 1xpw s SER 110 CO -0.09 0.10 0.43 0.00 0.98 0.00 0.00 173.24 174.66 1xpw s ALA 111 N 0.12 -1.04 -0.02 5.32 0.00 -1.12 -4.72 121.76 120.29 1xpw s ALA 111 Ca 0.24 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1xpw s ALA 111 Cb -0.15 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1xpw s ALA 111 CO 0.11 -0.61 -0.01 0.25 0.00 0.00 0.00 175.76 175.50 1xpw n THR 112 N -0.06 0.16 -4.64 0.00 -2.24 0.10 -3.15 114.28 104.44 1xpw n THR 112 Ca -0.17 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.26 1xpw n THR 112 Cb 0.63 -0.80 -0.17 0.00 -2.10 0.00 0.00 70.33 67.90 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 -2.06 1.83 -0.12 4.78 1.51 -0.87 -0.16 117.35 122.26 1xpw s TYR 113 Ca -0.02 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 1xpw s TYR 113 Cb 0.01 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.54 1xpw s TYR 113 CO 0.08 -0.37 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.49 1xpw s LEU 114 N 0.73 2.64 -0.36 -1.29 1.43 0.21 -1.37 118.68 120.67 1xpw s LEU 114 Ca -0.12 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1xpw s LEU 114 Cb -0.16 -1.58 0.08 0.00 0.03 0.00 0.00 46.19 44.56 1xpw s LEU 114 CO 0.03 0.18 0.11 -0.60 0.23 0.00 0.00 176.35 176.30 1xpw s ARG 115 N 0.24 2.21 -0.56 1.70 3.52 0.24 -0.43 118.95 125.88 1xpw s ARG 115 Ca -0.10 -1.55 -0.21 0.00 -0.13 0.00 0.00 55.73 53.74 1xpw s ARG 115 Cb -0.16 -3.41 0.06 0.00 -1.56 0.00 0.00 34.95 29.88 1xpw s ARG 115 CO 0.06 -0.86 0.80 -0.06 -0.81 0.00 0.00 175.30 174.42 1xpw s PHE 116 N 1.20 2.89 -0.46 5.12 0.40 0.08 -0.41 117.98 126.80 1xpw s PHE 116 Ca 0.02 -0.43 -0.15 0.00 -0.60 0.00 0.00 56.93 55.77 1xpw s PHE 116 Cb -0.21 -3.91 0.06 0.00 0.51 0.00 0.00 43.02 39.47 1xpw s PHE 116 CO -0.02 -1.28 0.38 0.42 0.70 0.00 0.00 175.22 175.41 1xpw s ILE 117 N 3.33 5.23 -0.61 0.64 1.01 0.16 -1.58 121.20 129.37 1xpw s ILE 117 Ca 0.21 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 1xpw s ILE 117 Cb -0.17 -4.08 0.08 0.00 0.01 0.00 0.00 42.46 38.29 1xpw s ILE 117 CO 0.13 -0.52 0.85 -0.63 0.00 0.00 0.00 174.94 174.78 1xpw s ILE 118 N 1.68 4.53 -0.05 2.92 1.01 -0.56 -0.43 121.20 130.31 1xpw s ILE 118 Ca 0.05 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 1xpw s ILE 118 Cb -0.23 -4.58 -0.11 0.00 0.01 0.00 0.00 42.46 37.55 1xpw s ILE 118 CO 0.08 -1.26 0.69 0.58 0.00 0.00 0.00 174.94 175.03 1xpw h VAL 119 N 5.95 0.42 -4.25 2.92 2.07 -1.40 -1.46 116.25 120.50 1xpw h VAL 119 Ca -0.29 -0.90 -0.25 0.00 0.82 0.00 0.00 66.70 66.09 1xpw h VAL 119 Cb 1.08 0.71 -0.15 0.00 -1.52 0.00 0.00 31.29 31.41 1xpw h VAL 119 CO 1.13 0.11 -0.64 -0.44 0.02 0.00 0.00 177.57 177.75 1xpw s SER 120 N -5.25 0.57 0.06 0.57 0.01 -1.24 -3.99 113.70 104.43 1xpw s SER 120 Ca -0.10 -1.28 -0.02 0.00 1.31 0.00 0.00 55.95 55.86 1xpw s SER 120 Cb 0.01 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 1xpw s SER 120 CO 0.34 -0.73 0.00 0.00 0.41 0.00 0.00 173.24 173.25 1xpw s ALA 121 N -3.96 0.44 0.51 1.44 0.00 -1.26 -2.06 121.76 116.86 1xpw s ALA 121 Ca 0.30 -1.15 0.16 0.00 0.00 0.00 0.00 51.96 51.27 1xpw s ALA 121 Cb 0.07 0.32 1.24 0.00 0.00 0.00 0.00 23.12 24.75 1xpw s ALA 121 CO 0.07 -0.39 2.13 0.74 0.00 0.00 0.00 175.76 178.31 1xpw h PHE 122 N 3.09 0.00 -4.50 0.00 -1.00 -1.43 -3.45 116.94 109.66 1xpw h PHE 122 Ca -0.34 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.06 1xpw h PHE 122 Cb 1.15 -0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.63 1xpw h PHE 122 CO 0.51 0.02 -0.28 -3.47 -1.61 0.00 0.00 178.31 173.48 1xpw n ASP 123 N -4.52 2.41 0.18 2.17 2.03 -1.26 -5.04 116.55 112.51 1xpw n ASP 123 Ca -0.03 -2.32 0.08 0.00 0.52 0.00 0.00 54.79 53.04 1xpw n ASP 123 Cb 0.11 0.31 0.10 0.00 -0.72 0.00 0.00 41.12 40.91 1xpw n ASP 123 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1xpw h HIS 124 N 1.22 0.00 -3.24 -0.67 6.17 -1.96 -3.43 115.15 113.24 1xpw h HIS 124 Ca -0.24 0.00 -0.66 0.00 0.71 0.00 0.00 60.37 60.18 1xpw h HIS 124 Cb 0.75 0.00 -0.31 0.00 2.52 0.00 0.00 27.41 30.37 1xpw h HIS 124 CO 0.00 0.23 -0.80 -0.06 0.71 0.00 0.00 177.93 178.01 1xpw s PHE 125 N -3.10 2.83 -0.28 5.26 0.08 -1.26 -4.35 117.98 117.16 1xpw s PHE 125 Ca 0.05 -1.20 -0.07 0.00 0.12 0.00 0.00 56.93 55.83 1xpw s PHE 125 Cb 0.06 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1xpw s PHE 125 CO 0.71 -0.60 0.09 0.00 -0.10 0.00 0.00 175.22 175.32 1xpw s ALA 126 N 1.14 3.12 -0.08 5.36 0.00 -1.26 -4.74 121.76 125.29 1xpw s ALA 126 Ca 0.01 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1xpw s ALA 126 Cb -0.14 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1xpw s ALA 126 CO -0.05 -0.76 -0.10 -1.12 0.00 0.00 0.00 175.76 173.73 1xpw s SER 127 N 1.56 4.35 -0.01 0.00 0.01 -0.64 -0.79 113.70 118.17 1xpw s SER 127 Ca 0.04 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.21 1xpw s SER 127 Cb -0.16 -1.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.84 1xpw s SER 127 CO 0.03 0.30 -0.17 0.54 0.41 0.00 0.00 173.24 174.35 1xpw s VAL 128 N -0.45 1.34 -0.20 3.43 0.11 0.41 0.41 120.40 125.45 1xpw s VAL 128 Ca 0.06 -0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 58.23 1xpw s VAL 128 Cb -0.12 -1.12 -0.08 0.00 -1.53 0.00 0.00 36.38 33.53 1xpw s VAL 128 CO 0.02 0.38 -0.29 1.57 -3.33 0.00 0.00 175.10 173.45 1xpw n HIS 129 N 2.69 0.21 -3.62 1.54 -0.00 0.41 -1.11 115.22 115.34 1xpw n HIS 129 Ca -0.15 0.09 -0.04 0.00 0.46 0.00 0.00 57.72 58.09 1xpw n HIS 129 Cb 0.54 -0.72 -0.06 0.00 -0.12 0.00 0.00 29.99 29.63 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 -6.38 -0.77 -0.54 0.26 0.15 -1.19 -3.38 113.70 101.86 1xpw s SER 130 Ca -0.30 1.18 -0.17 0.00 0.70 0.00 0.00 55.95 57.37 1xpw s SER 130 Cb 0.07 1.45 0.11 0.00 -1.71 0.00 0.00 66.02 65.94 1xpw s SER 130 CO 0.43 -0.18 0.54 0.68 1.20 0.00 0.00 173.24 175.91 1xpw s VAL 131 N 1.75 5.09 -0.07 4.45 -7.23 -1.26 -1.59 120.40 121.54 1xpw s VAL 131 Ca -0.08 -1.23 -0.19 0.00 -1.81 0.00 0.00 61.98 58.66 1xpw s VAL 131 Cb -0.05 -4.34 -0.05 0.00 0.56 0.00 0.00 36.38 32.50 1xpw s VAL 131 CO -0.18 -0.89 0.52 -0.44 -0.31 0.00 0.00 175.10 173.81 1xpw s SER 132 N 3.39 6.81 -0.32 4.85 0.01 0.43 -4.62 113.70 124.25 1xpw s SER 132 Ca 0.06 0.96 -0.09 0.00 1.31 0.00 0.00 55.95 58.19 1xpw s SER 132 Cb -0.27 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1xpw s SER 132 CO 0.05 0.05 0.14 0.00 0.41 0.00 0.00 173.24 173.89 1xpw s ALA 133 N 0.25 3.21 -0.13 1.44 0.00 -1.26 -0.39 121.76 124.88 1xpw s ALA 133 Ca 0.28 -1.47 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1xpw s ALA 133 Cb -0.16 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1xpw s ALA 133 CO 0.13 -1.00 0.39 -1.21 0.00 0.00 0.00 175.76 174.07 1xpw s GLU 134 N 1.57 4.27 0.00 0.00 2.02 0.54 0.22 118.70 127.31 1xpw s GLU 134 Ca 0.03 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1xpw s GLU 134 Cb -0.17 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.64 1xpw s GLU 134 CO 0.05 0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.97 1xpw n GLY 135 N 3.22 -0.69 3.05 -1.39 0.00 -1.20 0.36 105.19 108.53 1xpw n GLY 135 Ca -0.10 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1xpw n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpw s THR 136 N -3.00 0.50 0.23 2.61 2.01 -0.77 -1.27 115.64 115.95 1xpw s THR 136 Ca 0.00 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 1xpw s THR 136 Cb 0.00 -0.56 -0.09 0.00 0.01 0.00 0.00 72.50 71.86 1xpw s THR 136 CO 0.00 -0.32 1.37 0.54 -0.69 0.00 0.00 174.62 175.51 1xpw s VAL 137 N -1.22 2.93 -0.20 3.82 0.11 -1.26 -0.52 120.40 124.05 1xpw s VAL 137 Ca -0.09 0.78 -0.20 0.00 -2.93 0.00 0.00 61.98 59.54 1xpw s VAL 137 Cb -0.09 -3.50 -0.17 0.00 -1.53 0.00 0.00 36.38 31.09 1xpw s VAL 137 CO 0.00 0.12 0.14 0.52 -3.33 0.00 0.00 175.10 172.56 1xpw n VAL 138 N 2.39 1.52 -3.68 2.04 0.31 0.94 -4.81 118.33 117.05 1xpw n VAL 138 Ca 0.06 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.29 1xpw n VAL 138 Cb 0.42 -2.08 -0.10 0.00 -0.91 0.00 0.00 33.84 31.17 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 -6.75 -0.46 -0.06 4.52 0.15 -0.55 -5.03 113.70 105.52 1xpw s SER 139 Ca -0.28 0.98 -0.30 0.00 0.70 0.00 0.00 55.95 57.06 1xpw s SER 139 Cb 0.06 1.05 -0.02 0.00 -1.71 0.00 0.00 66.02 65.39 1xpw s SER 139 CO 0.54 -0.21 0.99 0.21 1.20 0.00 0.00 173.24 175.97 1xpw s ASN 140 N 1.88 7.29 -0.93 5.45 3.84 -1.26 -1.00 114.94 130.21 1xpw s ASN 140 Ca -0.07 1.58 -0.24 0.00 0.21 0.00 0.00 52.86 54.34 1xpw s ASN 140 Cb -0.10 -2.56 0.04 0.00 -0.55 0.00 0.00 41.25 38.08 1xpw s ASN 140 CO -0.13 -0.36 1.44 -0.22 -2.79 0.00 0.00 177.10 175.03 1xpw s LEU 141 N 1.58 3.39 -0.21 3.21 0.20 -1.26 -4.74 118.68 120.85 1xpw s LEU 141 Ca 0.50 -1.11 0.15 0.00 0.69 0.00 0.00 54.13 54.36 1xpw s LEU 141 Cb -0.19 -2.57 0.76 0.00 -0.43 0.00 0.00 46.19 43.76 1xpw s LEU 141 CO 0.22 -1.68 1.68 -1.54 -0.29 0.00 0.00 176.35 174.74 1xpw n SER 142 N 9.36 5.29 0.00 3.68 3.41 -1.26 -4.93 113.62 129.18 1xpw n SER 142 Ca 0.25 -2.89 0.16 0.00 -0.26 0.00 0.00 58.87 56.13 1xpw n SER 142 Cb 0.50 -0.65 0.94 0.00 -0.26 0.00 0.00 64.21 64.75 1xpw n SER 142 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68