#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 3.59 -2.52 2.12 1.74 -1.26 -4.98 116.66 115.35 1xpw n ARG 2 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1xpw n ARG 2 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 1xpw n ARG 2 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xpw n LYS 3 N 0.00 -1.24 -3.54 5.56 5.02 -0.30 -4.99 118.16 118.66 1xpw n LYS 3 Ca 0.00 0.61 -0.37 0.00 -2.02 0.00 0.00 58.31 56.53 1xpw n LYS 3 Cb 0.00 -4.06 -0.07 0.00 -0.02 0.00 0.00 35.03 30.88 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xpw s ILE 4 N -3.19 5.24 -0.87 -0.18 2.07 -0.77 -4.81 121.20 118.69 1xpw s ILE 4 Ca 0.23 0.63 -0.25 0.00 -1.41 0.00 0.00 60.65 59.85 1xpw s ILE 4 Cb -0.03 -3.65 -0.04 0.00 0.13 0.00 0.00 42.46 38.87 1xpw s ILE 4 CO 0.44 0.46 1.91 -1.81 -1.91 0.00 0.00 174.94 174.03 1xpw s ASP 5 N -0.10 5.22 0.00 4.50 1.01 -1.26 -3.23 116.67 122.82 1xpw s ASP 5 Ca 0.19 -0.57 0.09 0.00 0.71 0.00 0.00 52.55 52.96 1xpw s ASP 5 Cb -0.14 -2.56 0.39 0.00 1.01 0.00 0.00 42.92 41.63 1xpw s ASP 5 CO 0.07 -2.64 1.27 0.18 0.21 0.00 0.00 175.17 174.27 1xpw n LEU 6 N 13.56 0.56 -0.05 1.23 4.77 0.52 -3.26 117.00 134.33 1xpw n LEU 6 Ca 0.37 -0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 1xpw n LEU 6 Cb 0.48 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 1xpw n LEU 6 CO 0.62 0.13 -0.81 0.00 -1.33 0.00 0.00 177.39 176.00 1xpw s LEU 8 N -5.94 4.38 0.61 0.00 1.43 -1.18 -4.41 118.68 113.58 1xpw s LEU 8 Ca -0.09 2.83 0.38 0.00 -1.03 0.00 0.00 54.13 56.22 1xpw s LEU 8 Cb 0.07 -3.65 2.02 0.00 0.03 0.00 0.00 46.19 44.66 1xpw s LEU 8 CO 0.81 -0.69 2.25 -1.28 0.23 0.00 0.00 176.35 177.67 1xpw h SER 9 N 3.46 0.00 1.06 2.29 0.87 -1.85 0.10 113.55 119.49 1xpw h SER 9 Ca -0.49 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1xpw h SER 9 Cb 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1xpw h SER 9 CO 0.67 0.02 -0.01 0.28 -0.53 0.00 0.00 176.83 177.26 1xpw h SER 10 N 0.00 0.00 -0.11 6.23 0.02 -1.92 -2.23 113.55 115.54 1xpw h SER 10 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xpw h SER 10 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1xpw h SER 10 CO 0.00 0.01 0.00 -0.62 -1.14 0.00 0.00 176.83 175.08 1xpw n GLU 11 N -3.10 1.86 -0.55 3.45 -0.58 0.35 -4.92 120.64 117.15 1xpw n GLU 11 Ca 0.01 -1.27 0.00 0.00 -0.42 0.00 0.00 57.16 55.47 1xpw n GLU 11 Cb 0.32 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 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 1.22 0.70 3.78 0.62 0.00 -0.84 -5.02 105.19 105.65 1xpw n GLY 12 Ca 0.17 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1xpw n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xpw s SER 13 N -2.20 4.49 -0.04 1.61 1.04 -1.22 -4.73 113.70 112.65 1xpw s SER 13 Ca 0.00 1.58 -0.04 0.00 0.48 0.00 0.00 55.95 57.97 1xpw s SER 13 Cb 0.00 -2.32 0.01 0.00 0.10 0.00 0.00 66.02 63.80 1xpw s SER 13 CO 0.00 -2.01 0.10 -0.70 0.98 0.00 0.00 173.24 171.62 1xpw s GLU 14 N -5.00 0.14 -0.48 4.02 2.56 -0.49 -4.72 118.70 114.73 1xpw s GLU 14 Ca 0.61 0.11 -0.12 0.00 0.00 0.00 0.00 54.97 55.56 1xpw s GLU 14 Cb -0.16 0.07 0.10 0.00 2.00 0.00 0.00 34.13 36.14 1xpw s GLU 14 CO 0.56 -0.02 0.37 0.54 -0.56 0.00 0.00 175.26 176.15 1xpw s VAL 15 N -0.04 4.65 -0.17 3.70 0.11 -1.26 -0.58 120.40 126.81 1xpw s VAL 15 Ca -0.01 -1.49 -0.06 0.00 -2.93 0.00 0.00 61.98 57.49 1xpw s VAL 15 Cb -0.01 -3.94 -0.04 0.00 -1.53 0.00 0.00 36.38 30.86 1xpw s VAL 15 CO 0.00 -0.70 0.04 -0.51 -3.33 0.00 0.00 175.10 170.60 1xpw s ILE 16 N 1.49 4.57 0.09 7.04 2.07 0.50 -4.92 121.20 132.03 1xpw s ILE 16 Ca 0.04 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1xpw s ILE 16 Cb -0.26 -3.03 0.00 0.00 0.13 0.00 0.00 42.46 39.30 1xpw s ILE 16 CO 0.02 0.49 0.00 -0.11 -1.91 0.00 0.00 174.94 173.43 1xpw n LEU 17 N 3.36 -3.95 -3.71 8.50 0.00 -1.26 -1.54 117.00 118.39 1xpw n LEU 17 Ca -0.17 1.52 -0.12 0.00 0.00 0.00 0.00 56.01 57.24 1xpw n LEU 17 Cb 0.52 -2.02 -0.10 0.00 0.00 0.00 0.00 43.42 41.82 1xpw n LEU 17 CO 0.34 -0.89 0.07 0.00 0.00 0.00 0.00 177.39 176.92 1xpw s ALA 18 N -0.25 -1.04 0.46 1.96 0.00 -1.26 -2.03 121.76 119.61 1xpw s ALA 18 Ca 0.00 1.34 0.17 0.00 0.00 0.00 0.00 51.96 53.47 1xpw s ALA 18 Cb 0.00 -0.80 1.13 0.00 0.00 0.00 0.00 23.12 23.46 1xpw s ALA 18 CO 0.00 -0.23 2.03 1.15 0.00 0.00 0.00 175.76 178.71 1xpw h THR 19 N 4.97 1.00 -4.52 0.00 2.02 -1.53 -3.42 112.91 111.44 1xpw h THR 19 Ca -0.31 -0.53 -0.68 0.00 0.77 0.00 0.00 66.41 65.66 1xpw h THR 19 Cb 1.18 1.30 -0.30 0.00 -1.74 0.00 0.00 68.15 68.59 1xpw h THR 19 CO 0.27 0.15 -0.88 -0.44 0.37 0.00 0.00 175.52 174.98 1xpw s SER 20 N -6.83 2.90 -0.01 4.18 0.01 -1.26 -4.95 113.70 107.73 1xpw s SER 20 Ca -0.04 -0.45 -0.25 0.00 1.31 0.00 0.00 55.95 56.52 1xpw s SER 20 Cb 0.15 -0.36 0.06 0.00 0.21 0.00 0.00 66.02 66.08 1xpw s SER 20 CO 0.67 0.30 0.56 -0.55 0.41 0.00 0.00 173.24 174.63 1xpw s SER 21 N -0.54 -0.50 0.06 2.44 0.15 -1.26 -4.82 113.70 109.22 1xpw s SER 21 Ca 0.08 0.43 -0.07 0.00 0.70 0.00 0.00 55.95 57.09 1xpw s SER 21 Cb -0.10 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1xpw s SER 21 CO -0.01 -0.61 0.15 -0.62 1.20 0.00 0.00 173.24 173.35 1xpw s ASP 22 N -1.46 0.14 0.15 5.45 2.15 -1.21 -5.04 116.67 116.85 1xpw s ASP 22 Ca -0.10 -0.57 0.17 0.00 0.43 0.00 0.00 52.55 52.48 1xpw s ASP 22 Cb -0.01 0.28 -0.06 0.00 -0.30 0.00 0.00 42.92 42.84 1xpw s ASP 22 CO 0.05 -0.61 1.05 -0.33 -0.17 0.00 0.00 175.17 175.16 1xpw h GLU 23 N 3.22 0.00 0.01 4.34 4.39 -2.02 -2.90 114.58 121.61 1xpw h GLU 23 Ca -0.33 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.06 1xpw h GLU 23 Cb 1.19 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.78 1xpw h GLU 23 CO 0.53 0.33 -1.88 1.63 -1.16 0.00 0.00 179.01 178.46 1xpw n LYS 24 N -2.98 0.65 -3.71 2.33 5.02 -1.26 -4.58 118.16 113.64 1xpw n LYS 24 Ca -0.05 0.23 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 1xpw n LYS 24 Cb 0.78 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.94 1xpw n LYS 24 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xpw s HIS 25 N -2.57 2.27 0.43 2.13 3.76 -1.25 -5.08 115.29 114.98 1xpw s HIS 25 Ca -0.07 -2.68 -0.21 0.00 -0.15 0.00 0.00 55.06 51.95 1xpw s HIS 25 Cb 0.07 -1.94 -0.10 0.00 1.11 0.00 0.00 32.58 31.72 1xpw s HIS 25 CO 0.82 -0.73 0.97 -2.14 -0.85 0.00 0.00 174.74 172.81 1xpw s PRO 26 N -0.21 4.17 0.00 8.40 0.02 -1.09 -3.34 135.00 142.95 1xpw s PRO 26 Ca 0.23 1.19 0.22 0.00 0.02 0.00 0.00 61.00 62.65 1xpw s PRO 26 Cb -0.13 -2.21 1.11 0.00 0.02 0.00 0.00 34.50 33.28 1xpw s PRO 26 CO -0.08 -0.09 1.70 -0.35 -0.33 0.00 0.00 177.00 177.85 1xpw n PRO 27 N -0.61 0.32 0.07 5.54 -0.04 -1.26 -3.44 135.00 135.59 1xpw n PRO 27 Ca 0.07 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 1xpw n PRO 27 Cb 0.53 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.92 1xpw n PRO 27 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xpw n GLU 28 N -1.27 0.12 0.00 0.54 2.13 -1.26 -1.85 120.64 119.04 1xpw n GLU 28 Ca 0.11 0.32 0.13 0.00 0.66 0.00 0.00 57.16 58.37 1xpw n GLU 28 Cb 0.17 -1.71 0.27 0.00 0.27 0.00 0.00 31.44 30.44 1xpw n GLU 28 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1xpw n ASN 29 N -1.94 1.66 -0.02 4.31 4.13 -1.22 -4.27 115.26 117.90 1xpw n ASN 29 Ca 0.03 -1.33 -0.03 0.00 1.68 0.00 0.00 54.58 54.92 1xpw n ASN 29 Cb 0.23 0.18 0.20 0.00 -1.54 0.00 0.00 39.78 38.85 1xpw n ASN 29 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1xpw h ILE 30 N 2.25 1.25 0.00 2.41 2.10 -1.62 -2.76 117.51 121.13 1xpw h ILE 30 Ca 0.00 -1.11 -0.15 0.00 1.08 0.00 0.00 64.86 64.68 1xpw h ILE 30 Cb 0.64 1.15 -0.02 0.00 -1.09 0.00 0.00 36.82 37.49 1xpw h ILE 30 CO 0.00 0.37 -0.75 0.16 -1.08 0.00 0.00 178.15 176.85 1xpw h ILE 31 N 0.53 1.15 0.00 2.19 3.07 -1.78 -3.21 117.51 119.46 1xpw h ILE 31 Ca 0.09 -2.64 0.00 0.00 1.55 0.00 0.00 64.86 63.86 1xpw h ILE 31 Cb 0.55 2.56 0.00 0.00 -0.27 0.00 0.00 36.82 39.66 1xpw h ILE 31 CO 0.03 0.65 -0.26 -0.78 -1.05 0.00 0.00 178.15 176.75 1xpw h ASP 32 N 0.00 0.00 -2.77 2.16 3.58 -1.73 -3.12 116.42 114.54 1xpw h ASP 32 Ca -0.02 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 1xpw h ASP 32 Cb 1.54 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.62 1xpw h ASP 32 CO 0.09 0.01 -0.11 0.61 -2.88 0.00 0.00 179.24 176.97 1xpw n GLY 33 N 1.20 0.44 3.72 -0.78 0.00 -1.06 -4.83 105.19 103.88 1xpw n GLY 33 Ca 0.04 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.14 7.16 0.11 1.61 0.02 -1.20 -4.97 114.94 114.55 1xpw s ASN 34 Ca 0.02 1.40 -0.14 0.00 -1.02 0.00 0.00 52.86 53.12 1xpw s ASN 34 Cb -0.00 -2.48 -0.05 0.00 0.02 0.00 0.00 41.25 38.73 1xpw s ASN 34 CO 0.10 -0.15 1.48 1.55 0.02 0.00 0.00 177.10 180.10 1xpw h PRO 35 N 6.60 0.74 0.23 -0.60 0.13 -1.94 -3.36 132.00 133.79 1xpw h PRO 35 Ca -0.41 -0.34 -0.01 0.00 -0.87 0.00 0.00 66.00 64.37 1xpw h PRO 35 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1xpw h PRO 35 CO 0.75 0.95 -0.11 0.93 -0.23 0.00 0.00 178.00 180.29 1xpw h GLU 36 N 0.52 -0.29 -5.13 0.86 3.07 -1.99 -3.43 114.58 108.19 1xpw h GLU 36 Ca 0.07 0.02 -0.65 0.00 -0.50 0.00 0.00 59.36 58.30 1xpw h GLU 36 Cb 0.74 0.07 -0.16 0.00 -0.84 0.00 0.00 28.75 28.56 1xpw h GLU 36 CO 0.06 -0.20 -0.14 0.99 -1.40 0.00 0.00 179.01 178.32 1xpw s THR 37 N -2.53 5.08 0.33 1.13 2.01 -1.26 -5.04 115.64 115.36 1xpw s THR 37 Ca -0.04 0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.25 1xpw s THR 37 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1xpw s THR 37 CO 0.13 -0.15 0.14 0.72 -0.69 0.00 0.00 174.62 174.78 1xpw s PHE 38 N 2.24 1.68 -0.24 4.92 -0.71 -1.26 -4.15 117.98 120.46 1xpw s PHE 38 Ca 0.16 -1.31 -0.17 0.00 -1.04 0.00 0.00 56.93 54.57 1xpw s PHE 38 Cb -0.16 -0.96 -0.03 0.00 -1.21 0.00 0.00 43.02 40.66 1xpw s PHE 38 CO 0.12 -0.43 0.47 -0.46 -1.34 0.00 0.00 175.22 173.58 1xpw s TRP 39 N -3.49 3.30 0.37 3.49 -0.00 -1.25 -4.83 118.94 116.53 1xpw s TRP 39 Ca 0.33 0.61 0.05 0.00 -0.00 0.00 0.00 56.10 57.10 1xpw s TRP 39 Cb 0.05 -2.64 -0.07 0.00 -0.00 0.00 0.00 33.47 30.80 1xpw s TRP 39 CO 0.17 -0.19 0.03 -0.08 -0.00 0.00 0.00 176.95 176.89 1xpw s THR 40 N 1.95 1.57 0.03 5.86 -1.32 -1.26 -2.34 115.64 120.13 1xpw s THR 40 Ca 0.20 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.69 1xpw s THR 40 Cb -0.15 -2.87 -0.04 0.00 -1.51 0.00 0.00 72.50 67.92 1xpw s THR 40 CO 0.09 0.00 0.08 -0.89 -2.21 0.00 0.00 174.62 171.69 1xpw s THR 41 N -3.00 4.64 -0.29 5.08 2.01 -0.95 -4.76 115.64 118.36 1xpw s THR 41 Ca 0.35 -0.57 0.21 0.00 0.31 0.00 0.00 61.69 61.99 1xpw s THR 41 Cb 0.09 -3.17 0.14 0.00 0.01 0.00 0.00 72.50 69.57 1xpw s THR 41 CO 0.16 0.25 1.34 0.71 -0.69 0.00 0.00 174.62 176.39 1xpw h THR 42 N 2.92 0.23 0.00 -0.82 1.35 -1.92 -3.45 112.91 111.22 1xpw h THR 42 Ca -0.48 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1xpw h THR 42 Cb 1.17 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1xpw h THR 42 CO 0.64 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 1xpw n GLY 43 N 1.18 0.89 2.73 5.82 0.00 -1.26 -4.98 105.19 109.57 1xpw n GLY 43 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1xpw n GLY 43 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xpw s MET 44 N 0.21 0.48 0.01 1.61 0.00 -1.26 -5.00 119.30 115.35 1xpw s MET 44 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 55.69 55.68 1xpw s MET 44 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 34.83 33.47 1xpw s MET 44 CO 0.00 -0.44 0.03 -0.06 0.00 0.00 0.00 175.02 174.55 1xpw s PHE 45 N 1.99 3.14 0.36 4.11 0.08 -1.26 -3.55 117.98 122.84 1xpw s PHE 45 Ca 0.03 0.11 -0.23 0.00 0.12 0.00 0.00 56.93 56.96 1xpw s PHE 45 Cb -0.14 -1.68 -0.10 0.00 -0.57 0.00 0.00 43.02 40.53 1xpw s PHE 45 CO -0.06 0.50 0.92 -1.25 -0.10 0.00 0.00 175.22 175.22 1xpw s PRO 46 N -1.72 4.39 -0.31 0.24 0.05 -1.26 -5.14 135.00 131.23 1xpw s PRO 46 Ca 0.22 1.17 -0.08 0.00 0.05 0.00 0.00 61.00 62.36 1xpw s PRO 46 Cb -0.12 -2.54 0.01 0.00 0.05 0.00 0.00 34.50 31.90 1xpw s PRO 46 CO 0.13 0.16 0.11 1.14 0.05 0.00 0.00 177.00 178.59 1xpw s GLN 47 N -2.54 3.08 0.21 4.56 -2.07 -0.79 -4.89 119.66 117.22 1xpw s GLN 47 Ca 0.54 -0.88 0.09 0.00 -1.82 0.00 0.00 55.36 53.30 1xpw s GLN 47 Cb -0.14 -3.46 -0.05 0.00 -1.09 0.00 0.00 33.01 28.27 1xpw s GLN 47 CO 0.19 -0.48 -0.17 -1.83 -1.32 0.00 0.00 175.29 171.68 1xpw s GLU 48 N 1.52 1.41 -0.12 9.60 -1.05 -1.26 -0.40 118.70 128.40 1xpw s GLU 48 Ca 0.03 -1.59 -0.21 0.00 -0.15 0.00 0.00 54.97 53.04 1xpw s GLU 48 Cb -0.18 -1.35 0.05 0.00 -0.44 0.00 0.00 34.13 32.21 1xpw s GLU 48 CO 0.04 0.25 0.53 -0.59 0.95 0.00 0.00 175.26 176.43 1xpw s PHE 49 N -2.61 -0.52 -0.20 4.83 -0.71 -0.87 -1.27 117.98 116.63 1xpw s PHE 49 Ca 0.23 1.11 -0.05 0.00 -1.04 0.00 0.00 56.93 57.18 1xpw s PHE 49 Cb -0.03 0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.99 1xpw s PHE 49 CO 0.09 -0.39 -0.01 0.42 -1.34 0.00 0.00 175.22 173.99 1xpw s ILE 50 N -0.45 3.89 -0.26 -4.49 1.01 -0.59 -0.54 121.20 119.77 1xpw s ILE 50 Ca -0.06 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 1xpw s ILE 50 Cb -0.03 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1xpw s ILE 50 CO 0.04 0.43 0.11 -0.63 0.00 0.00 0.00 174.94 174.89 1xpw s ILE 51 N 1.03 4.66 -0.12 2.92 1.01 0.47 -0.37 121.20 130.80 1xpw s ILE 51 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1xpw s ILE 51 Cb -0.14 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1xpw s ILE 51 CO 0.01 0.31 -0.07 0.00 0.00 0.00 0.00 174.94 175.20 1xpw h PHE 53 N 6.27 0.00 0.00 0.00 0.04 -1.28 -1.29 116.94 120.68 1xpw h PHE 53 Ca -0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1xpw h PHE 53 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1xpw h PHE 53 CO 0.54 0.36 0.00 0.72 -0.60 0.00 0.00 178.31 179.33 1xpw n HIS 54 N -3.11 0.00 -4.38 -0.55 8.25 -1.26 -4.51 115.22 109.67 1xpw n HIS 54 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 1xpw n HIS 54 Cb 0.69 -0.28 -0.10 0.00 1.12 0.00 0.00 29.99 31.42 1xpw n HIS 54 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1xpw s LYS 55 N 0.00 1.41 -0.52 -0.41 -2.85 -1.26 -4.74 119.74 111.37 1xpw s LYS 55 Ca 0.00 -1.65 -0.26 0.00 -1.00 0.00 0.00 55.97 53.06 1xpw s LYS 55 Cb 0.00 -1.17 0.03 0.00 -2.06 0.00 0.00 37.83 34.64 1xpw s LYS 55 CO 0.00 0.15 0.99 -1.01 0.10 0.00 0.00 175.35 175.59 1xpw s HIS 56 N -2.96 2.81 0.27 1.78 3.76 -0.81 -4.68 115.29 115.47 1xpw s HIS 56 Ca 0.25 0.26 0.11 0.00 -0.15 0.00 0.00 55.06 55.53 1xpw s HIS 56 Cb 0.00 -4.14 -0.05 0.00 1.11 0.00 0.00 32.58 29.50 1xpw s HIS 56 CO 0.09 -1.29 -0.17 0.14 -0.85 0.00 0.00 174.74 172.66 1xpw s VAL 57 N 4.08 2.27 -0.13 -0.90 -7.23 -1.22 -0.28 120.40 116.99 1xpw s VAL 57 Ca 0.36 -2.33 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1xpw s VAL 57 Cb -0.10 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.55 1xpw s VAL 57 CO 0.24 -0.40 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.89 1xpw s ARG 58 N -3.56 2.15 0.10 4.82 3.52 0.39 -1.95 118.95 124.42 1xpw s ARG 58 Ca 0.29 -0.51 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 1xpw s ARG 58 Cb -0.03 -1.94 -0.07 0.00 -1.56 0.00 0.00 34.95 31.35 1xpw s ARG 58 CO 0.14 -0.17 0.56 0.42 -0.81 0.00 0.00 175.30 175.43 1xpw s ILE 59 N 1.32 4.78 -0.23 4.11 1.01 0.90 -0.41 121.20 132.67 1xpw s ILE 59 Ca 0.00 1.09 -0.18 0.00 0.00 0.00 0.00 60.65 61.55 1xpw s ILE 59 Cb -0.14 -3.84 -0.16 0.00 0.01 0.00 0.00 42.46 38.34 1xpw s ILE 59 CO -0.07 0.45 -0.01 1.21 0.00 0.00 0.00 174.94 176.52 1xpw n GLU 60 N 1.41 0.57 -3.49 2.79 4.07 -0.72 -2.65 120.64 122.62 1xpw n GLU 60 Ca -0.09 0.45 -0.15 0.00 -0.06 0.00 0.00 57.16 57.32 1xpw n GLU 60 Cb 0.51 -1.65 -0.04 0.00 -0.06 0.00 0.00 31.44 30.20 1xpw n GLU 60 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1xpw s ARG 61 N -2.42 1.09 -0.10 5.31 1.70 -0.84 -2.02 118.95 121.67 1xpw s ARG 61 Ca -0.32 -0.06 0.01 0.00 -0.47 0.00 0.00 55.73 54.88 1xpw s ARG 61 Cb 0.09 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.96 1xpw s ARG 61 CO 0.55 -0.41 -0.11 -0.51 -1.08 0.00 0.00 175.30 173.74 1xpw s LEU 62 N -1.85 2.88 -0.38 -1.89 1.02 0.29 -1.54 118.68 117.21 1xpw s LEU 62 Ca -0.05 -0.20 -0.17 0.00 0.02 0.00 0.00 54.13 53.73 1xpw s LEU 62 Cb -0.00 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.58 1xpw s LEU 62 CO -0.00 0.26 0.44 -0.69 0.02 0.00 0.00 176.35 176.37 1xpw s VAL 63 N -0.20 5.09 -0.34 -1.59 1.01 0.08 -0.32 120.40 124.13 1xpw s VAL 63 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1xpw s VAL 63 Cb -0.13 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1xpw s VAL 63 CO 0.03 -0.28 0.10 -0.63 0.00 0.00 0.00 175.10 174.31 1xpw s ILE 64 N 2.18 3.61 -0.50 2.22 -1.09 -0.03 -1.46 121.20 126.13 1xpw s ILE 64 Ca 0.14 -1.25 -0.14 0.00 -2.23 0.00 0.00 60.65 57.16 1xpw s ILE 64 Cb -0.16 -3.08 0.10 0.00 -1.58 0.00 0.00 42.46 37.74 1xpw s ILE 64 CO 0.13 -0.21 0.42 -1.10 -1.23 0.00 0.00 174.94 172.95 1xpw s GLN 65 N 1.36 2.88 -0.07 2.79 -0.21 0.39 -2.08 119.66 124.71 1xpw s GLN 65 Ca -0.02 -1.58 -0.19 0.00 0.02 0.00 0.00 55.36 53.60 1xpw s GLN 65 Cb -0.20 -4.14 0.04 0.00 1.00 0.00 0.00 33.01 29.71 1xpw s GLN 65 CO 0.02 -1.18 0.44 -1.54 -2.12 0.00 0.00 175.29 170.91 1xpw s SER 66 N 3.00 -0.38 0.17 5.90 1.04 -1.26 0.17 113.70 122.34 1xpw s SER 66 Ca 0.04 0.48 0.06 0.00 0.48 0.00 0.00 55.95 57.01 1xpw s SER 66 Cb -0.27 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1xpw s SER 66 CO 0.04 -0.40 -0.13 -0.47 0.98 0.00 0.00 173.24 173.26 1xpw s TYR 67 N -0.83 1.50 0.00 5.02 5.04 -0.17 -4.67 117.35 123.24 1xpw s TYR 67 Ca -0.09 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 53.90 1xpw s TYR 67 Cb -0.03 -0.73 0.00 0.00 0.35 0.00 0.00 41.96 41.55 1xpw s TYR 67 CO 0.04 0.22 0.00 1.19 -1.34 0.00 0.00 175.55 175.67 1xpw n PHE 68 N -0.19 0.00 -2.29 4.97 3.72 -1.26 -2.43 117.46 119.97 1xpw n PHE 68 Ca -0.10 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 1xpw n PHE 68 Cb 0.60 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 1xpw n PHE 68 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xpw s VAL 69 N -2.16 3.23 0.00 -4.37 1.01 -1.26 -0.02 120.40 116.82 1xpw s VAL 69 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1xpw s VAL 69 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1xpw s VAL 69 CO 0.00 0.23 0.00 1.67 0.00 0.00 0.00 175.10 177.00 1xpw n GLN 70 N 1.72 0.00 -3.20 2.72 7.27 -0.92 -4.28 117.38 120.69 1xpw n GLN 70 Ca 0.02 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.65 1xpw n GLN 70 Cb 0.43 -0.10 -0.06 0.00 2.41 0.00 0.00 30.24 32.92 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 -0.60 4.95 -0.28 1.69 2.01 0.29 -0.78 115.64 122.93 1xpw s THR 71 Ca 0.00 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1xpw s THR 71 Cb 0.00 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.21 1xpw s THR 71 CO 0.00 -0.85 0.01 -0.22 -0.69 0.00 0.00 174.62 172.88 1xpw s LEU 72 N 2.38 3.58 -0.26 4.42 2.96 -0.26 -0.85 118.68 130.66 1xpw s LEU 72 Ca 0.11 -0.83 -0.09 0.00 -0.22 0.00 0.00 54.13 53.10 1xpw s LEU 72 Cb -0.22 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1xpw s LEU 72 CO 0.09 -0.17 0.12 -0.75 -1.32 0.00 0.00 176.35 174.31 1xpw s LYS 73 N 1.40 3.79 -0.44 1.98 2.20 0.42 -0.52 119.74 128.57 1xpw s LYS 73 Ca 0.01 -0.41 -0.16 0.00 -0.36 0.00 0.00 55.97 55.05 1xpw s LYS 73 Cb -0.17 -3.45 0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1xpw s LYS 73 CO -0.01 -0.16 0.37 0.42 -0.36 0.00 0.00 175.35 175.60 1xpw s ILE 74 N 1.62 5.22 -0.20 5.43 1.01 0.59 -0.37 121.20 134.50 1xpw s ILE 74 Ca 0.06 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 1xpw s ILE 74 Cb -0.15 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1xpw s ILE 74 CO 0.06 -0.46 0.15 -0.70 0.00 0.00 0.00 174.94 173.99 1xpw s GLU 75 N 1.73 4.17 -0.09 2.79 2.12 0.28 -1.69 118.70 128.02 1xpw s GLU 75 Ca 0.05 -0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.17 1xpw s GLU 75 Cb -0.21 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1xpw s GLU 75 CO 0.09 0.25 -0.01 0.21 -0.54 0.00 0.00 175.26 175.26 1xpw s LYS 76 N 0.50 2.97 0.00 4.30 2.20 0.49 -0.41 119.74 129.79 1xpw s LYS 76 Ca 0.09 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1xpw s LYS 76 Cb -0.12 -2.76 -0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1xpw s LYS 76 CO -0.00 0.68 -0.01 0.45 -0.36 0.00 0.00 175.35 176.10 1xpw s SER 77 N -0.82 0.14 -0.13 1.43 0.15 0.13 -0.97 113.70 113.64 1xpw s SER 77 Ca 0.12 -0.06 0.15 0.00 0.70 0.00 0.00 55.95 56.87 1xpw s SER 77 Cb -0.11 -0.01 0.43 0.00 -1.71 0.00 0.00 66.02 64.62 1xpw s SER 77 CO 0.02 -0.01 1.33 0.35 1.20 0.00 0.00 173.24 176.14 1xpw n THR 78 N 2.95 1.92 -2.66 6.45 -2.24 -1.26 -0.71 114.28 118.73 1xpw n THR 78 Ca -0.13 -1.71 -0.30 0.00 -2.27 0.00 0.00 64.05 59.64 1xpw n THR 78 Cb 0.59 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.82 6.43 0.37 3.42 0.01 -1.26 -4.77 113.70 116.08 1xpw s SER 79 Ca 0.35 1.15 0.23 0.00 1.31 0.00 0.00 55.95 58.99 1xpw s SER 79 Cb 0.27 -2.33 0.30 0.00 0.21 0.00 0.00 66.02 64.47 1xpw s SER 79 CO 0.09 -0.51 1.50 0.50 0.41 0.00 0.00 173.24 175.23 1xpw h LYS 80 N 0.80 0.00 -6.20 12.44 3.64 -1.95 -3.42 116.57 121.87 1xpw h LYS 80 Ca -0.47 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.37 1xpw h LYS 80 Cb 1.19 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1xpw h LYS 80 CO 0.63 0.00 -0.55 -1.21 -2.27 0.00 0.00 179.45 176.05 1xpw s GLU 81 N -3.23 2.90 -0.11 1.90 0.41 -1.26 -5.00 118.70 114.30 1xpw s GLU 81 Ca 0.06 -0.96 -0.04 0.00 -0.41 0.00 0.00 54.97 53.62 1xpw s GLU 81 Cb 0.07 -2.60 -0.14 0.00 -1.78 0.00 0.00 34.13 29.67 1xpw s GLU 81 CO 0.69 0.44 2.29 -2.30 -0.49 0.00 0.00 175.26 175.90 1xpw n PRO 82 N -0.73 1.28 -4.26 0.39 -0.02 -1.26 -4.79 135.00 125.60 1xpw n PRO 82 Ca -0.08 -0.69 -0.16 0.00 -2.02 0.00 0.00 63.50 60.55 1xpw n PRO 82 Cb 0.56 -1.87 -0.09 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.03 0.14 -0.30 -1.45 -7.23 -1.26 -5.01 120.40 107.31 1xpw s VAL 83 Ca 0.39 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1xpw s VAL 83 Cb 0.18 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1xpw s VAL 83 CO -0.00 0.00 0.07 -0.67 -0.31 0.00 0.00 175.10 174.19 1xpw n ASP 84 N -0.72 -7.90 -4.55 4.85 2.03 -1.26 -4.57 116.55 104.43 1xpw n ASP 84 Ca 0.03 1.24 -0.31 0.00 0.52 0.00 0.00 54.79 56.26 1xpw n ASP 84 Cb 0.65 -5.00 -0.11 0.00 -0.72 0.00 0.00 41.12 35.94 1xpw n ASP 84 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1xpw s PHE 85 N -1.69 2.78 -0.04 -0.67 0.08 -1.26 -4.53 117.98 112.65 1xpw s PHE 85 Ca 0.03 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1xpw s PHE 85 Cb -0.01 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.91 1xpw s PHE 85 CO 0.72 0.34 -0.03 -2.00 -0.10 0.00 0.00 175.22 174.15 1xpw s GLU 86 N -1.49 0.73 -0.46 0.44 2.12 -0.14 -4.98 118.70 114.92 1xpw s GLU 86 Ca 0.17 -0.06 -0.28 0.00 0.36 0.00 0.00 54.97 55.16 1xpw s GLU 86 Cb -0.11 -0.80 -0.01 0.00 0.26 0.00 0.00 34.13 33.48 1xpw s GLU 86 CO 0.07 -0.11 1.64 -0.65 -0.54 0.00 0.00 175.26 175.67 1xpw s GLN 87 N 1.04 3.23 -0.21 4.30 -0.21 -1.26 -0.38 119.66 126.17 1xpw s GLN 87 Ca -0.09 0.93 -0.18 0.00 0.02 0.00 0.00 55.36 56.04 1xpw s GLN 87 Cb -0.14 -4.18 -0.14 0.00 1.00 0.00 0.00 33.01 29.55 1xpw s GLN 87 CO -0.01 -1.99 0.01 1.87 -2.12 0.00 0.00 175.29 173.05 1xpw n TRP 88 N 10.32 0.77 -4.11 0.91 -0.00 -1.03 -4.93 117.44 119.37 1xpw n TRP 88 Ca 0.19 0.33 -0.14 0.00 -0.00 0.00 0.00 57.50 57.87 1xpw n TRP 88 Cb 0.49 -0.99 -0.13 0.00 -0.00 0.00 0.00 31.31 30.68 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 -2.39 0.54 -0.04 5.87 1.01 -0.68 -5.04 121.20 120.46 1xpw s ILE 89 Ca -0.28 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 1xpw s ILE 89 Cb 0.07 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 42.02 1xpw s ILE 89 CO 0.50 -0.19 0.04 -0.70 0.00 0.00 0.00 174.94 174.59 1xpw s GLU 90 N -1.07 0.09 -0.02 2.79 2.12 -1.26 -0.30 118.70 121.05 1xpw s GLU 90 Ca -0.05 0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.58 1xpw s GLU 90 Cb -0.07 -0.58 0.01 0.00 0.26 0.00 0.00 34.13 33.75 1xpw s GLU 90 CO 0.00 -0.30 -0.04 0.21 -0.54 0.00 0.00 175.26 174.60 1xpw s LYS 91 N 1.97 0.48 -0.18 4.30 2.20 0.33 -5.01 119.74 123.83 1xpw s LYS 91 Ca 0.03 -0.11 -0.07 0.00 -0.36 0.00 0.00 55.97 55.46 1xpw s LYS 91 Cb -0.12 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.64 1xpw s LYS 91 CO -0.03 0.01 0.05 0.16 -0.36 0.00 0.00 175.35 175.18 1xpw s ASP 92 N 0.36 5.50 0.33 1.43 -4.77 -1.26 -1.10 116.67 117.16 1xpw s ASP 92 Ca -0.04 0.04 -0.27 0.00 -3.30 0.00 0.00 52.55 48.98 1xpw s ASP 92 Cb -0.07 -1.94 -0.09 0.00 -1.09 0.00 0.00 42.92 39.73 1xpw s ASP 92 CO -0.00 0.17 1.10 -0.22 0.70 0.00 0.00 175.17 176.91 1xpw s LEU 93 N 0.40 4.39 -0.22 2.11 2.96 0.04 -5.01 118.68 123.35 1xpw s LEU 93 Ca 0.02 2.23 -0.14 0.00 -0.22 0.00 0.00 54.13 56.02 1xpw s LEU 93 Cb -0.13 -3.83 -0.04 0.00 0.50 0.00 0.00 46.19 42.69 1xpw s LEU 93 CO 0.01 -0.31 0.31 -0.69 -1.32 0.00 0.00 176.35 174.35 1xpw s VAL 94 N -1.33 5.25 -0.91 1.68 1.01 -1.26 -4.81 120.40 120.03 1xpw s VAL 94 Ca 0.50 0.50 -0.24 0.00 0.00 0.00 0.00 61.98 62.74 1xpw s VAL 94 Cb -0.29 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1xpw s VAL 94 CO 0.37 0.27 1.68 -2.28 0.00 0.00 0.00 175.10 175.14 1xpw s HIS 95 N 1.33 2.14 -0.36 5.22 2.46 -1.26 -4.81 115.29 120.00 1xpw s HIS 95 Ca 0.14 -0.03 -0.28 0.00 0.47 0.00 0.00 55.06 55.36 1xpw s HIS 95 Cb -0.14 -4.37 0.02 0.00 -0.13 0.00 0.00 32.58 27.95 1xpw s HIS 95 CO 0.07 -1.90 1.04 0.95 -2.47 0.00 0.00 174.74 172.43 1xpw s THR 96 N 7.50 4.48 -0.11 0.89 -4.23 -1.26 -4.99 115.64 117.91 1xpw s THR 96 Ca 0.57 1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 62.25 1xpw s THR 96 Cb -0.04 -4.43 -0.03 0.00 1.34 0.00 0.00 72.50 69.34 1xpw s THR 96 CO -0.02 -0.60 1.34 -0.70 -0.54 0.00 0.00 174.62 174.11 1xpw s GLU 97 N 3.75 4.25 0.00 3.99 2.56 -1.26 -1.93 118.70 130.06 1xpw s GLU 97 Ca 0.44 1.79 0.00 0.00 0.00 0.00 0.00 54.97 57.20 1xpw s GLU 97 Cb -0.11 -3.74 0.00 0.00 2.00 0.00 0.00 34.13 32.27 1xpw s GLU 97 CO 0.19 -0.67 0.00 0.41 -0.56 0.00 0.00 175.26 174.63 1xpw n GLY 98 N 3.67 0.88 3.01 -1.50 0.00 -1.26 -5.02 105.19 104.96 1xpw n GLY 98 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.31 1.63 -0.31 1.61 -0.21 -0.81 -5.10 119.66 116.15 1xpw s GLN 99 Ca 0.00 -0.38 -0.29 0.00 0.02 0.00 0.00 55.36 54.71 1xpw s GLN 99 Cb 0.00 -1.37 0.02 0.00 1.00 0.00 0.00 33.01 32.65 1xpw s GLN 99 CO 0.00 0.00 1.07 -1.17 -2.12 0.00 0.00 175.29 173.07 1xpw s LEU 100 N 0.74 3.94 -0.79 2.90 0.20 -1.26 -4.39 118.68 120.03 1xpw s LEU 100 Ca -0.13 1.06 -0.24 0.00 0.69 0.00 0.00 54.13 55.50 1xpw s LEU 100 Cb -0.16 -3.53 0.05 0.00 -0.43 0.00 0.00 46.19 42.13 1xpw s LEU 100 CO 0.03 -0.86 1.21 -1.58 -0.29 0.00 0.00 176.35 174.86 1xpw s GLN 101 N 3.61 3.28 -0.25 1.98 0.74 -1.26 -4.97 119.66 122.79 1xpw s GLN 101 Ca 0.45 -0.72 -0.29 0.00 0.05 0.00 0.00 55.36 54.85 1xpw s GLN 101 Cb -0.12 -4.49 -0.01 0.00 1.10 0.00 0.00 33.01 29.48 1xpw s GLN 101 CO 0.15 -2.03 1.38 -0.80 -0.55 0.00 0.00 175.29 173.44 1xpw s ASN 102 N 3.95 6.64 -0.24 6.67 -0.87 -1.26 -4.57 114.94 125.27 1xpw s ASN 102 Ca 0.33 1.41 -0.08 0.00 -1.57 0.00 0.00 52.86 52.96 1xpw s ASN 102 Cb -0.09 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.57 1xpw s ASN 102 CO 0.06 -1.07 0.08 -0.70 -2.57 0.00 0.00 177.10 172.91 1xpw s GLU 103 N 4.18 3.73 -0.52 -0.60 2.56 -0.88 -4.98 118.70 122.19 1xpw s GLU 103 Ca 0.60 -0.44 -0.18 0.00 0.00 0.00 0.00 54.97 54.95 1xpw s GLU 103 Cb -0.20 -3.34 0.08 0.00 2.00 0.00 0.00 34.13 32.67 1xpw s GLU 103 CO 0.23 -0.12 0.56 -1.83 -0.56 0.00 0.00 175.26 173.55 1xpw s GLU 104 N 1.44 3.05 -0.68 4.30 -1.05 -1.26 -0.85 118.70 123.65 1xpw s GLU 104 Ca 0.06 -1.21 -0.24 0.00 -0.15 0.00 0.00 54.97 53.43 1xpw s GLU 104 Cb -0.15 -4.17 0.06 0.00 -0.44 0.00 0.00 34.13 29.43 1xpw s GLU 104 CO 0.04 -1.25 1.07 0.42 0.95 0.00 0.00 175.26 176.49 1xpw s ILE 105 N 2.25 4.13 -0.50 1.83 1.01 0.56 -4.88 121.20 125.59 1xpw s ILE 105 Ca 0.10 -0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 1xpw s ILE 105 Cb -0.23 -4.76 0.01 0.00 0.01 0.00 0.00 42.46 37.50 1xpw s ILE 105 CO 0.08 -1.57 1.42 0.54 0.00 0.00 0.00 174.94 175.41 1xpw s VAL 106 N 4.60 3.83 -0.16 2.92 0.11 -1.26 -0.54 120.40 129.90 1xpw s VAL 106 Ca 0.27 0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 60.03 1xpw s VAL 106 Cb -0.14 -4.34 0.08 0.00 -1.53 0.00 0.00 36.38 30.45 1xpw s VAL 106 CO 0.12 -1.00 0.28 0.00 -3.33 0.00 0.00 175.10 171.18 1xpw s ALA 107 N 5.87 -0.63 -0.45 1.54 0.00 -0.85 -4.98 121.76 122.25 1xpw s ALA 107 Ca 0.56 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 1xpw s ALA 107 Cb -0.12 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 21.91 1xpw s ALA 107 CO 0.28 -0.78 0.38 -1.01 0.00 0.00 0.00 175.76 174.64 1xpw s HIS 108 N 2.44 3.22 0.06 0.00 3.76 -1.26 -3.94 115.29 119.57 1xpw s HIS 108 Ca 0.03 -0.73 -0.27 0.00 -0.15 0.00 0.00 55.06 53.94 1xpw s HIS 108 Cb -0.13 -2.96 0.09 0.00 1.11 0.00 0.00 32.58 30.69 1xpw s HIS 108 CO -0.10 -0.73 0.92 0.20 -0.85 0.00 0.00 174.74 174.18 1xpw s GLY 109 N 2.20 -0.37 -0.02 -2.22 0.00 -1.08 -4.99 107.32 100.83 1xpw s GLY 109 Ca 0.06 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.43 1xpw s GLY 109 CO 0.09 0.20 -0.01 -0.56 0.00 0.00 0.00 173.10 172.82 1xpw s SER 110 N -2.68 5.06 0.16 1.64 0.01 -1.26 -0.07 113.70 116.56 1xpw s SER 110 Ca 0.08 0.00 -0.22 0.00 1.31 0.00 0.00 55.95 57.13 1xpw s SER 110 Cb -0.01 -1.32 0.06 0.00 0.21 0.00 0.00 66.02 64.96 1xpw s SER 110 CO -0.05 0.30 0.56 0.00 0.41 0.00 0.00 173.24 174.47 1xpw s ALA 111 N -1.03 -1.46 -0.00 1.44 0.00 -0.82 -4.78 121.76 115.11 1xpw s ALA 111 Ca 0.18 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1xpw s ALA 111 Cb -0.11 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 1xpw s ALA 111 CO 0.08 -0.75 -0.00 0.25 0.00 0.00 0.00 175.76 175.34 1xpw n THR 112 N -0.35 0.03 -4.68 0.00 -2.24 0.12 -3.43 114.28 103.73 1xpw n THR 112 Ca -0.17 -0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1xpw n THR 112 Cb 0.65 -0.77 -0.17 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.01 2.02 -0.14 4.78 1.51 -0.60 -0.84 117.35 122.08 1xpw s TYR 113 Ca -0.00 -0.88 0.02 0.00 -1.01 0.00 0.00 57.07 55.19 1xpw s TYR 113 Cb 0.00 -1.42 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1xpw s TYR 113 CO 0.02 -0.42 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.32 1xpw s LEU 114 N 0.75 2.00 -0.25 -1.29 1.43 -0.33 -0.69 118.68 120.29 1xpw s LEU 114 Ca -0.11 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.35 1xpw s LEU 114 Cb -0.16 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1xpw s LEU 114 CO 0.02 0.05 0.07 -0.60 0.23 0.00 0.00 176.35 176.12 1xpw s ARG 115 N 0.92 3.60 -0.56 1.70 3.52 0.45 -0.39 118.95 128.19 1xpw s ARG 115 Ca -0.05 -0.51 -0.19 0.00 -0.13 0.00 0.00 55.73 54.84 1xpw s ARG 115 Cb -0.15 -3.32 0.09 0.00 -1.56 0.00 0.00 34.95 30.01 1xpw s ARG 115 CO -0.03 -0.21 0.69 -0.06 -0.81 0.00 0.00 175.30 174.88 1xpw s PHE 116 N 1.60 3.00 -0.52 5.12 0.40 0.30 -0.56 117.98 127.33 1xpw s PHE 116 Ca 0.06 -0.79 -0.17 0.00 -0.60 0.00 0.00 56.93 55.43 1xpw s PHE 116 Cb -0.15 -3.85 0.08 0.00 0.51 0.00 0.00 43.02 39.61 1xpw s PHE 116 CO 0.03 -1.22 0.54 0.42 0.70 0.00 0.00 175.22 175.69 1xpw s ILE 117 N 2.72 5.05 -0.79 0.64 1.09 0.50 -2.05 121.20 128.36 1xpw s ILE 117 Ca 0.13 -0.97 -0.22 0.00 -1.10 0.00 0.00 60.65 58.49 1xpw s ILE 117 Cb -0.22 -4.28 0.07 0.00 -1.06 0.00 0.00 42.46 36.97 1xpw s ILE 117 CO 0.08 -0.80 1.13 -0.63 -0.10 0.00 0.00 174.94 174.63 1xpw s ILE 118 N 2.11 4.26 0.12 2.92 1.01 0.46 -0.44 121.20 131.64 1xpw s ILE 118 Ca 0.08 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 1xpw s ILE 118 Cb -0.24 -4.80 -0.08 0.00 0.01 0.00 0.00 42.46 37.34 1xpw s ILE 118 CO 0.07 -1.61 1.41 0.58 0.00 0.00 0.00 174.94 175.40 1xpw h VAL 119 N 6.07 1.28 -3.70 2.92 2.07 -1.27 -2.09 116.25 121.54 1xpw h VAL 119 Ca -0.11 -1.64 -0.10 0.00 0.82 0.00 0.00 66.70 65.67 1xpw h VAL 119 Cb 1.05 1.60 -0.16 0.00 -1.52 0.00 0.00 31.29 32.26 1xpw h VAL 119 CO 1.22 0.54 -0.38 -0.55 0.02 0.00 0.00 177.57 178.41 1xpw s SER 120 N -6.83 0.09 0.22 0.57 0.15 -1.23 -4.60 113.70 102.06 1xpw s SER 120 Ca -0.11 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.02 1xpw s SER 120 Cb 0.10 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1xpw s SER 120 CO 0.87 -0.65 0.16 0.00 1.20 0.00 0.00 173.24 174.82 1xpw s ALA 121 N -3.26 1.30 -0.63 5.45 0.00 -1.26 -0.55 121.76 122.81 1xpw s ALA 121 Ca 0.00 -1.77 0.25 0.00 0.00 0.00 0.00 51.96 50.44 1xpw s ALA 121 Cb 0.02 1.40 0.63 0.00 0.00 0.00 0.00 23.12 25.17 1xpw s ALA 121 CO -0.08 -0.60 1.68 0.74 0.00 0.00 0.00 175.76 177.50 1xpw h PHE 122 N 2.53 0.00 -3.02 0.00 0.04 -0.71 -3.44 116.94 112.33 1xpw h PHE 122 Ca -0.34 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.32 1xpw h PHE 122 Cb 1.25 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.37 1xpw h PHE 122 CO 0.60 0.00 -0.10 -3.47 -0.60 0.00 0.00 178.31 174.73 1xpw n ASP 123 N -2.49 0.47 0.12 2.17 -0.08 -1.26 -5.03 116.55 110.46 1xpw n ASP 123 Ca 0.05 -1.47 0.12 0.00 -1.51 0.00 0.00 54.79 51.98 1xpw n ASP 123 Cb 0.46 0.29 0.46 0.00 2.34 0.00 0.00 41.12 44.67 1xpw n ASP 123 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1xpw n HIS 124 N -0.17 0.89 -3.74 -0.67 8.25 -1.26 -4.79 115.22 113.73 1xpw n HIS 124 Ca 0.00 0.31 -0.10 0.00 -0.26 0.00 0.00 57.72 57.67 1xpw n HIS 124 Cb 0.13 -1.00 -0.06 0.00 1.12 0.00 0.00 29.99 30.18 1xpw n HIS 124 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1xpw s PHE 125 N -3.23 -0.06 0.24 4.41 -0.71 -1.26 -4.06 117.98 113.30 1xpw s PHE 125 Ca 0.07 -0.25 0.10 0.00 -1.04 0.00 0.00 56.93 55.81 1xpw s PHE 125 Cb 0.11 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 1xpw s PHE 125 CO 0.49 -0.60 -0.06 0.00 -1.34 0.00 0.00 175.22 173.70 1xpw s ALA 126 N -3.54 3.02 -0.07 1.99 0.00 -1.26 -4.84 121.76 117.06 1xpw s ALA 126 Ca 0.02 -1.62 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 1xpw s ALA 126 Cb 0.02 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1xpw s ALA 126 CO -0.10 0.34 -0.00 -1.12 0.00 0.00 0.00 175.76 174.88 1xpw s SER 127 N -3.34 1.63 -0.13 0.00 0.01 -1.02 -2.23 113.70 108.62 1xpw s SER 127 Ca 0.29 -0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.40 1xpw s SER 127 Cb -0.07 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 1xpw s SER 127 CO 0.17 -0.19 0.05 0.54 0.41 0.00 0.00 173.24 174.23 1xpw s VAL 128 N 1.95 4.73 -0.17 3.43 0.11 -0.99 -0.99 120.40 128.47 1xpw s VAL 128 Ca 0.05 -0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 58.87 1xpw s VAL 128 Cb -0.12 -3.06 -0.05 0.00 -1.53 0.00 0.00 36.38 31.62 1xpw s VAL 128 CO -0.05 0.56 -0.31 1.57 -3.33 0.00 0.00 175.10 173.54 1xpw n HIS 129 N 2.57 0.16 -3.73 1.54 -0.00 0.13 -3.83 115.22 112.05 1xpw n HIS 129 Ca -0.18 0.07 -0.12 0.00 0.46 0.00 0.00 57.72 57.95 1xpw n HIS 129 Cb 0.53 -0.53 -0.12 0.00 -0.12 0.00 0.00 29.99 29.76 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 -5.81 -0.36 0.02 0.26 0.01 -1.11 -4.62 113.70 102.09 1xpw s SER 130 Ca -0.26 0.67 0.06 0.00 1.31 0.00 0.00 55.95 57.73 1xpw s SER 130 Cb 0.04 0.59 -0.02 0.00 0.21 0.00 0.00 66.02 66.84 1xpw s SER 130 CO 0.38 -0.15 -0.19 0.68 0.41 0.00 0.00 173.24 174.37 1xpw s VAL 131 N 0.90 1.51 -0.05 3.43 -7.23 -1.26 -0.46 120.40 117.24 1xpw s VAL 131 Ca -0.06 -0.99 -0.04 0.00 -1.81 0.00 0.00 61.98 59.08 1xpw s VAL 131 Cb -0.07 -1.29 0.02 0.00 0.56 0.00 0.00 36.38 35.60 1xpw s VAL 131 CO -0.06 0.28 0.13 -0.94 -0.31 0.00 0.00 175.10 174.19 1xpw s SER 132 N -0.84 -0.12 -0.45 4.85 1.04 -0.54 -4.77 113.70 112.87 1xpw s SER 132 Ca 0.07 0.27 -0.10 0.00 0.48 0.00 0.00 55.95 56.66 1xpw s SER 132 Cb -0.08 0.23 0.10 0.00 0.10 0.00 0.00 66.02 66.37 1xpw s SER 132 CO 0.01 -0.08 0.32 0.00 0.98 0.00 0.00 173.24 174.47 1xpw s ALA 133 N 0.47 3.38 -0.50 5.32 0.00 -1.26 -0.74 121.76 128.42 1xpw s ALA 133 Ca -0.03 -2.32 -0.17 0.00 0.00 0.00 0.00 51.96 49.44 1xpw s ALA 133 Cb -0.05 -2.80 0.08 0.00 0.00 0.00 0.00 23.12 20.35 1xpw s ALA 133 CO -0.02 -1.78 0.50 -1.21 0.00 0.00 0.00 175.76 173.25 1xpw s GLU 134 N 1.43 3.02 0.00 0.00 2.02 -0.59 -0.36 118.70 124.23 1xpw s GLU 134 Ca 0.04 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.75 1xpw s GLU 134 Cb -0.25 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 29.82 1xpw s GLU 134 CO 0.01 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.53 1xpw n GLY 135 N 5.21 3.82 3.13 -1.39 0.00 -1.20 -1.76 105.19 113.01 1xpw n GLY 135 Ca -0.11 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 2.06 0.13 -0.12 2.61 -4.23 0.45 -1.15 115.64 115.39 1xpw s THR 136 Ca 0.00 -1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 59.31 1xpw s THR 136 Cb 0.00 -0.91 -0.05 0.00 1.34 0.00 0.00 72.50 72.88 1xpw s THR 136 CO 0.00 -0.58 0.36 -0.69 -0.54 0.00 0.00 174.62 173.17 1xpw s VAL 137 N -2.64 5.24 -0.15 2.29 1.01 -1.26 -0.46 120.40 124.42 1xpw s VAL 137 Ca -0.05 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 1xpw s VAL 137 Cb -0.01 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1xpw s VAL 137 CO -0.05 0.41 -0.06 0.58 0.00 0.00 0.00 175.10 175.99 1xpw h VAL 138 N 4.51 0.25 -3.89 2.92 2.07 -0.98 -3.47 116.25 117.65 1xpw h VAL 138 Ca -0.43 -1.30 -0.21 0.00 0.82 0.00 0.00 66.70 65.58 1xpw h VAL 138 Cb 1.18 0.58 -0.24 0.00 -1.52 0.00 0.00 31.29 31.29 1xpw h VAL 138 CO 0.73 0.08 -0.71 -0.94 0.02 0.00 0.00 177.57 176.75 1xpw s SER 139 N -5.99 0.22 0.58 0.57 1.04 -0.90 -5.03 113.70 104.19 1xpw s SER 139 Ca -0.17 -0.32 0.10 0.00 0.48 0.00 0.00 55.95 56.04 1xpw s SER 139 Cb 0.03 0.05 0.09 0.00 0.10 0.00 0.00 66.02 66.29 1xpw s SER 139 CO 0.30 -0.18 0.80 0.21 0.98 0.00 0.00 173.24 175.36 1xpw s ASN 140 N -0.92 5.06 0.65 7.02 2.47 -1.26 -1.93 114.94 126.03 1xpw s ASN 140 Ca -0.09 -0.89 -0.16 0.00 0.42 0.00 0.00 52.86 52.14 1xpw s ASN 140 Cb -0.06 0.37 -0.00 0.00 -1.45 0.00 0.00 41.25 40.10 1xpw s ASN 140 CO -0.01 -1.38 1.16 -0.76 -3.72 0.00 0.00 177.10 172.39 1xpw s LEU 141 N -4.68 3.46 -0.19 3.21 1.43 -1.26 -4.85 118.68 115.80 1xpw s LEU 141 Ca 0.62 2.19 -0.04 0.00 -1.03 0.00 0.00 54.13 55.87 1xpw s LEU 141 Cb -0.05 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.67 1xpw s LEU 141 CO 0.39 -1.76 0.17 -0.55 0.23 0.00 0.00 176.35 174.84 1xpw s SER 142 N -2.15 1.68 0.00 2.29 0.15 -1.26 -5.17 113.70 109.25 1xpw s SER 142 Ca 0.72 -0.34 0.28 0.00 0.70 0.00 0.00 55.95 57.31 1xpw s SER 142 Cb -0.25 0.16 1.14 0.00 -1.71 0.00 0.00 66.02 65.36 1xpw s SER 142 CO 0.39 -0.33 1.79 -1.20 1.20 0.00 0.00 173.24 175.09