#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpw h PRO -1 N 0.00 0.56 0.45 -0.67 0.11 -2.06 -0.42 132.00 129.97 3dpw h PRO -1 Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3dpw h PRO -1 Cb 0.00 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 3dpw h PRO -1 CO 0.00 0.37 -0.42 1.98 -0.21 0.00 0.00 178.00 179.72 3dpw h MET 0 N 0.58 -0.84 -0.68 1.05 -1.53 -2.03 -1.70 114.93 109.77 3dpw h MET 0 Ca 0.43 0.06 0.07 0.00 -3.44 0.00 0.00 59.70 56.81 3dpw h MET 0 Cb 0.81 0.19 -0.06 0.00 -0.55 0.00 0.00 31.60 31.99 3dpw h MET 0 CO -0.18 -0.56 0.37 0.28 0.14 0.00 0.00 176.91 176.96 3dpw h VAL 1 N -0.88 0.94 -0.68 -5.77 2.07 -1.83 -2.08 116.25 108.02 3dpw h VAL 1 Ca -0.04 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.33 3dpw h VAL 1 Cb 0.77 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3dpw h VAL 1 CO -0.05 0.12 0.45 -1.28 0.02 0.00 0.00 177.57 176.84 3dpw h SER 2 N 0.67 0.55 -0.04 0.57 0.87 -0.99 -1.82 113.55 113.36 3dpw h SER 2 Ca 0.31 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 3dpw h SER 2 Cb 0.23 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3dpw h SER 2 CO -0.20 0.34 0.01 0.50 -0.53 0.00 0.00 176.83 176.95 3dpw h LYS 3 N 0.62 0.05 -0.06 2.24 3.64 -0.58 0.18 116.57 122.66 3dpw h LYS 3 Ca 0.31 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.44 3dpw h LYS 3 Cb 0.40 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3dpw h LYS 3 CO -0.10 0.22 -0.87 0.78 -2.27 0.00 0.00 179.45 177.20 3dpw h GLY 4 N -0.12 0.78 1.43 5.01 0.00 -1.44 -2.64 103.07 106.08 3dpw h GLY 4 Ca 0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 47.33 46.05 3dpw h GLY 4 CO -0.00 1.10 0.09 -2.09 0.00 0.00 0.00 176.54 175.64 3dpw h GLU 5 N 0.38 0.72 -0.73 4.80 4.81 -1.40 -1.32 114.58 121.84 3dpw h GLU 5 Ca -0.09 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 3dpw h GLU 5 Cb 1.52 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 3dpw h GLU 5 CO 0.17 0.67 0.26 0.93 -0.73 0.00 0.00 179.01 180.32 3dpw h GLU 6 N 0.70 1.10 0.00 1.92 5.08 -0.42 -2.34 114.58 120.61 3dpw h GLU 6 Ca 0.15 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3dpw h GLU 6 Cb 0.29 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3dpw h GLU 6 CO 0.00 0.91 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.58 3dpw h LEU 7 N 1.06 0.00 -2.43 1.33 3.38 -0.93 -3.32 115.31 114.41 3dpw h LEU 7 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3dpw h LEU 7 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3dpw h LEU 7 CO -0.02 0.27 0.00 0.49 0.09 0.00 0.00 178.44 179.27 3dpw n PHE 8 N -3.53 0.41 0.20 1.13 3.01 -0.62 -4.80 117.46 113.25 3dpw n PHE 8 Ca -0.01 -0.33 0.07 0.00 1.01 0.00 0.00 57.45 58.19 3dpw n PHE 8 Cb 0.42 -0.01 0.34 0.00 -0.01 0.00 0.00 39.48 40.22 3dpw n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dpw h THR 9 N 2.77 0.74 -1.11 4.37 1.35 -1.53 -3.37 112.91 116.14 3dpw h THR 9 Ca 0.00 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 3dpw h THR 9 Cb 0.75 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3dpw h THR 9 CO 0.00 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 3dpw n GLY 10 N 0.34 4.56 3.67 5.82 0.00 -1.26 -4.75 105.19 113.57 3dpw n GLY 10 Ca 0.00 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 3dpw n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dpw s VAL 11 N 2.14 5.06 -0.18 1.61 1.01 -1.26 -4.41 120.40 124.37 3dpw s VAL 11 Ca 0.00 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 3dpw s VAL 11 Cb 0.00 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3dpw s VAL 11 CO 0.00 0.16 -0.06 -0.69 0.00 0.00 0.00 175.10 174.51 3dpw s VAL 12 N 1.62 3.49 0.45 2.92 1.01 0.07 -4.96 120.40 125.00 3dpw s VAL 12 Ca 0.28 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 3dpw s VAL 12 Cb -0.16 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 3dpw s VAL 12 CO 0.11 0.47 1.17 -2.84 0.00 0.00 0.00 175.10 174.01 3dpw s PRO 13 N 0.84 3.82 -0.04 2.72 0.02 -1.26 -1.50 135.00 139.59 3dpw s PRO 13 Ca -0.02 1.80 0.06 0.00 0.02 0.00 0.00 61.00 62.86 3dpw s PRO 13 Cb -0.15 -2.46 -0.01 0.00 0.02 0.00 0.00 34.50 31.90 3dpw s PRO 13 CO 0.01 -0.51 -0.22 0.42 -0.33 0.00 0.00 177.00 176.38 3dpw s ILE 14 N -1.51 1.77 -0.04 2.83 1.01 0.55 -0.76 121.20 125.03 3dpw s ILE 14 Ca 0.62 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 60.39 3dpw s ILE 14 Cb -0.29 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 3dpw s ILE 14 CO 0.36 0.50 -0.17 -0.22 0.00 0.00 0.00 174.94 175.41 3dpw s LEU 15 N -0.20 1.91 -0.04 2.97 2.96 -0.49 -1.95 118.68 123.85 3dpw s LEU 15 Ca -0.00 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3dpw s LEU 15 Cb -0.12 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.61 3dpw s LEU 15 CO 0.02 0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.39 3dpw s VAL 16 N 0.05 1.06 -0.07 1.68 1.01 -0.17 -1.54 120.40 122.42 3dpw s VAL 16 Ca -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3dpw s VAL 16 Cb -0.12 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.35 3dpw s VAL 16 CO 0.02 0.32 -0.01 -1.61 0.00 0.00 0.00 175.10 173.83 3dpw s GLU 17 N 0.31 0.67 -0.07 2.72 0.41 -0.51 -1.30 118.70 120.93 3dpw s GLU 17 Ca -0.07 0.06 0.03 0.00 -0.41 0.00 0.00 54.97 54.58 3dpw s GLU 17 Cb -0.12 -0.97 0.01 0.00 -1.78 0.00 0.00 34.13 31.27 3dpw s GLU 17 CO 0.02 -0.27 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.19 3dpw s LEU 18 N 1.80 1.78 -0.26 1.80 0.20 0.09 -0.03 118.68 124.06 3dpw s LEU 18 Ca 0.03 -0.37 -0.08 0.00 0.69 0.00 0.00 54.13 54.40 3dpw s LEU 18 Cb -0.13 -0.98 -0.03 0.00 -0.43 0.00 0.00 46.19 44.63 3dpw s LEU 18 CO -0.05 0.08 0.09 -1.81 -0.29 0.00 0.00 176.35 174.37 3dpw s ASP 19 N 0.52 5.29 0.15 3.68 1.01 -0.24 -1.03 116.67 126.05 3dpw s ASP 19 Ca -0.15 -0.21 0.06 0.00 0.71 0.00 0.00 52.55 52.96 3dpw s ASP 19 Cb -0.16 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 3dpw s ASP 19 CO 0.05 -0.05 -0.12 -0.83 0.21 0.00 0.00 175.17 174.43 3dpw s GLY 20 N 1.63 1.14 -0.25 0.21 0.00 0.29 -0.89 107.32 109.46 3dpw s GLY 20 Ca 0.06 -1.46 -0.04 0.00 0.00 0.00 0.00 44.72 43.28 3dpw s GLY 20 CO 0.05 -1.55 0.46 -0.35 0.00 0.00 0.00 173.10 171.71 3dpw s ASP 21 N -2.98 -0.36 -0.20 1.64 -1.08 -0.93 -0.78 116.67 111.98 3dpw s ASP 21 Ca 0.15 0.65 0.01 0.00 -0.52 0.00 0.00 52.55 52.84 3dpw s ASP 21 Cb -0.00 1.51 0.02 0.00 -1.46 0.00 0.00 42.92 42.99 3dpw s ASP 21 CO 0.03 -0.27 -0.16 -0.69 0.52 0.00 0.00 175.17 174.59 3dpw s VAL 22 N 2.66 2.25 -1.62 1.11 1.01 -0.64 -0.57 120.40 124.60 3dpw s VAL 22 Ca 0.10 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 3dpw s VAL 22 Cb -0.14 -2.03 0.09 0.00 0.00 0.00 0.00 36.38 34.30 3dpw s VAL 22 CO -0.17 0.41 0.46 0.59 0.00 0.00 0.00 175.10 176.40 3dpw n ASN 23 N 4.61 -1.19 0.00 3.32 4.13 0.33 -1.22 115.26 125.24 3dpw n ASN 23 Ca -0.19 -1.12 0.00 0.00 1.68 0.00 0.00 54.58 54.95 3dpw n ASN 23 Cb 0.49 -2.34 0.00 0.00 -1.54 0.00 0.00 39.78 36.39 3dpw n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dpw n GLY 24 N -1.79 2.18 3.55 7.41 0.00 -1.26 -4.97 105.19 110.30 3dpw n GLY 24 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3dpw n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dpw s HIS 25 N -2.10 1.53 0.21 1.61 3.76 -0.36 -5.00 115.29 114.94 3dpw s HIS 25 Ca 0.00 0.98 -0.22 0.00 -0.15 0.00 0.00 55.06 55.67 3dpw s HIS 25 Cb 0.00 -3.95 -0.08 0.00 1.11 0.00 0.00 32.58 29.65 3dpw s HIS 25 CO 0.00 -2.26 0.76 0.15 -0.85 0.00 0.00 174.74 172.53 3dpw s LYS 26 N 7.37 4.39 0.11 1.40 1.02 -1.26 -1.62 119.74 131.15 3dpw s LYS 26 Ca 0.75 1.01 -0.25 0.00 0.02 0.00 0.00 55.97 57.50 3dpw s LYS 26 Cb -0.13 -3.02 0.08 0.00 -0.52 0.00 0.00 37.83 34.24 3dpw s LYS 26 CO 0.19 0.45 0.66 -0.59 -0.92 0.00 0.00 175.35 175.15 3dpw s PHE 27 N -1.39 -0.51 -0.00 3.18 -0.71 0.04 -4.96 117.98 113.63 3dpw s PHE 27 Ca 0.41 0.38 0.05 0.00 -1.04 0.00 0.00 56.93 56.73 3dpw s PHE 27 Cb -0.19 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 3dpw s PHE 27 CO 0.23 -0.77 -0.17 -1.12 -1.34 0.00 0.00 175.22 172.05 3dpw s SER 28 N -2.55 2.01 -0.03 1.98 0.01 -1.26 -0.54 113.70 113.31 3dpw s SER 28 Ca 0.01 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 56.95 3dpw s SER 28 Cb -0.01 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.02 3dpw s SER 28 CO -0.10 0.18 -0.12 -0.69 0.41 0.00 0.00 173.24 172.93 3dpw s VAL 29 N -0.49 1.00 -0.07 3.43 1.01 -0.20 -1.70 120.40 123.38 3dpw s VAL 29 Ca 0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3dpw s VAL 29 Cb -0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3dpw s VAL 29 CO -0.00 0.30 -0.14 -0.44 0.00 0.00 0.00 175.10 174.82 3dpw s SER 30 N 0.17 3.98 0.07 3.32 0.01 -0.64 -0.74 113.70 119.87 3dpw s SER 30 Ca -0.04 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.02 3dpw s SER 30 Cb -0.10 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.03 3dpw s SER 30 CO 0.01 0.29 -0.12 -0.83 0.41 0.00 0.00 173.24 173.00 3dpw s GLY 31 N -0.39 0.78 0.03 3.44 0.00 -0.42 0.53 107.32 111.29 3dpw s GLY 31 Ca 0.04 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.79 3dpw s GLY 31 CO 0.02 -1.02 -0.05 -0.54 0.00 0.00 0.00 173.10 171.51 3dpw s GLU 32 N -1.89 0.39 0.00 2.90 2.02 -0.17 -1.00 118.70 120.96 3dpw s GLU 32 Ca -0.02 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.33 3dpw s GLU 32 Cb -0.09 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.08 3dpw s GLU 32 CO 0.02 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.70 3dpw n GLY 33 N 1.63 -0.89 3.26 -1.39 0.00 -0.82 -0.25 105.19 106.73 3dpw n GLY 33 Ca -0.23 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 3dpw n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dpw s GLU 34 N -0.46 0.79 0.06 1.61 -1.05 -0.95 -0.33 118.70 118.36 3dpw s GLU 34 Ca 0.00 -0.41 0.07 0.00 -0.15 0.00 0.00 54.97 54.48 3dpw s GLU 34 Cb 0.00 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 3dpw s GLU 34 CO 0.00 -0.25 -0.19 0.20 0.95 0.00 0.00 175.26 175.97 3dpw s GLY 35 N -1.88 1.06 -0.36 -3.83 0.00 -0.56 -1.60 107.32 100.14 3dpw s GLY 35 Ca -0.07 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.60 3dpw s GLY 35 CO -0.01 -1.02 0.19 -0.35 0.00 0.00 0.00 173.10 171.91 3dpw s ASP 36 N -1.41 3.39 0.43 1.64 -1.08 0.11 -0.75 116.67 119.01 3dpw s ASP 36 Ca 0.05 -2.08 0.22 0.00 -0.52 0.00 0.00 52.55 50.22 3dpw s ASP 36 Cb -0.09 -0.63 0.89 0.00 -1.46 0.00 0.00 42.92 41.63 3dpw s ASP 36 CO 0.02 -0.33 1.82 0.00 0.52 0.00 0.00 175.17 177.20 3dpw h ALA 37 N 7.31 1.05 -0.87 3.66 0.00 -1.74 -1.10 119.26 127.57 3dpw h ALA 37 Ca -0.03 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.77 3dpw h ALA 37 Cb 0.97 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3dpw h ALA 37 CO 0.38 0.34 0.56 1.15 0.00 0.00 0.00 179.25 181.68 3dpw h THR 38 N 0.00 0.87 -0.29 0.00 2.02 -1.86 -2.60 112.91 111.06 3dpw h THR 38 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3dpw h THR 38 Cb 0.75 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3dpw h THR 38 CO 0.03 0.13 0.00 -1.22 0.37 0.00 0.00 175.52 174.84 3dpw n TYR 39 N -4.55 0.37 -3.02 3.16 4.01 -0.96 -4.89 117.16 111.27 3dpw n TYR 39 Ca 0.16 -0.25 -0.21 0.00 -0.16 0.00 0.00 57.90 57.44 3dpw n TYR 39 Cb 0.43 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.46 3dpw n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dpw n GLY 40 N 1.03 -0.50 3.65 2.72 0.00 -0.88 -4.76 105.19 106.46 3dpw n GLY 40 Ca 0.14 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3dpw n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dpw s LYS 41 N -5.67 3.71 -0.04 1.61 2.20 -0.47 -0.86 119.74 120.22 3dpw s LYS 41 Ca 0.27 -0.36 0.07 0.00 -0.36 0.00 0.00 55.97 55.59 3dpw s LYS 41 Cb -0.13 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 3dpw s LYS 41 CO 0.33 0.39 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.96 3dpw s LEU 42 N 0.01 2.05 -0.21 5.43 1.02 0.70 -0.71 118.68 126.98 3dpw s LEU 42 Ca 0.05 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 53.72 3dpw s LEU 42 Cb -0.12 -1.31 0.06 0.00 0.02 0.00 0.00 46.19 44.84 3dpw s LEU 42 CO 0.01 0.27 -0.01 -0.89 0.02 0.00 0.00 176.35 175.75 3dpw s THR 43 N -0.34 1.03 0.04 5.49 2.01 -0.63 -1.54 115.64 121.70 3dpw s THR 43 Ca 0.02 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.23 3dpw s THR 43 Cb -0.12 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3dpw s THR 43 CO 0.01 -0.12 -0.15 -0.76 -0.69 0.00 0.00 174.62 172.92 3dpw s LEU 44 N 1.63 2.18 -0.11 4.42 1.43 0.06 -2.24 118.68 126.05 3dpw s LEU 44 Ca -0.03 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3dpw s LEU 44 Cb -0.18 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.42 3dpw s LEU 44 CO -0.07 0.04 -0.18 -0.75 0.23 0.00 0.00 176.35 175.61 3dpw s LYS 45 N -1.20 2.53 -0.14 1.70 2.20 0.65 -0.56 119.74 124.93 3dpw s LYS 45 Ca 0.02 -0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 3dpw s LYS 45 Cb -0.08 -2.05 -0.04 0.00 -1.51 0.00 0.00 37.83 34.15 3dpw s LYS 45 CO 0.01 0.01 0.04 -0.06 -0.36 0.00 0.00 175.35 175.00 3dpw s PHE 46 N 0.77 3.26 -0.12 4.03 0.08 0.31 -0.99 117.98 125.30 3dpw s PHE 46 Ca -0.10 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.13 3dpw s PHE 46 Cb -0.16 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.36 3dpw s PHE 46 CO 0.01 0.34 -0.20 0.42 -0.10 0.00 0.00 175.22 175.69 3dpw s ILE 47 N -0.29 1.88 -0.20 0.64 1.01 0.19 -1.63 121.20 122.80 3dpw s ILE 47 Ca 0.08 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 3dpw s ILE 47 Cb -0.12 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.68 3dpw s ILE 47 CO 0.02 0.52 1.10 0.00 0.00 0.00 0.00 174.94 176.57 3dpw n THR 49 N 5.26 0.00 -1.01 0.00 -2.24 -0.69 -4.09 114.28 111.50 3dpw n THR 49 Ca 0.12 -0.44 0.08 0.00 -2.27 0.00 0.00 64.05 61.55 3dpw n THR 49 Cb 0.46 1.36 0.25 0.00 -2.10 0.00 0.00 70.33 70.30 3dpw n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dpw n THR 50 N 1.02 2.27 0.00 4.28 -2.24 -1.26 -4.98 114.28 113.37 3dpw n THR 50 Ca 0.14 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.99 3dpw n THR 50 Cb 0.56 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3dpw n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dpw n GLY 51 N -0.58 1.00 3.68 3.38 0.00 -1.26 -4.94 105.19 106.46 3dpw n GLY 51 Ca 0.21 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3dpw n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dpw s LYS 52 N 0.00 4.38 0.01 1.61 2.20 -1.26 -4.42 119.74 122.27 3dpw s LYS 52 Ca 0.00 1.27 -0.32 0.00 -0.36 0.00 0.00 55.97 56.56 3dpw s LYS 52 Cb 0.00 -3.55 -0.11 0.00 -1.51 0.00 0.00 37.83 32.66 3dpw s LYS 52 CO 0.00 -0.32 1.88 -0.11 -0.36 0.00 0.00 175.35 176.44 3dpw n LEU 53 N 5.07 3.77 -0.35 5.43 7.94 -1.26 -4.90 117.00 132.69 3dpw n LEU 53 Ca 0.07 0.96 0.04 0.00 -1.11 0.00 0.00 56.01 55.97 3dpw n LEU 53 Cb 0.49 -1.46 0.11 0.00 0.53 0.00 0.00 43.42 43.09 3dpw n LEU 53 CO 0.51 0.05 0.59 -0.81 -1.11 0.00 0.00 177.39 176.62 3dpw n PRO 54 N 6.45 1.44 -4.12 1.96 -0.04 -1.26 -4.78 135.00 134.66 3dpw n PRO 54 Ca 0.20 -0.69 -0.09 0.00 -0.04 0.00 0.00 63.50 62.88 3dpw n PRO 54 Cb 0.35 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 3dpw n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dpw s VAL 55 N -1.75 0.46 0.11 0.52 -7.23 -1.26 -4.62 120.40 106.63 3dpw s VAL 55 Ca 0.14 -1.72 -0.31 0.00 -1.81 0.00 0.00 61.98 58.27 3dpw s VAL 55 Cb 0.07 -1.41 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 3dpw s VAL 55 CO 0.10 -0.84 1.56 -2.84 -0.31 0.00 0.00 175.10 172.77 3dpw s PRO 56 N -3.45 4.23 0.25 4.82 0.02 -1.26 -4.95 135.00 134.66 3dpw s PRO 56 Ca 0.06 2.28 -0.10 0.00 0.02 0.00 0.00 61.00 63.26 3dpw s PRO 56 Cb 0.04 -3.36 0.39 0.00 0.02 0.00 0.00 34.50 31.58 3dpw s PRO 56 CO -0.06 -0.63 1.47 0.91 -0.33 0.00 0.00 177.00 178.37 3dpw n TRP 57 N 4.68 0.27 -0.25 6.54 7.02 -1.26 -1.36 117.44 133.08 3dpw n TRP 57 Ca 0.14 1.15 0.32 0.00 -1.02 0.00 0.00 57.50 58.09 3dpw n TRP 57 Cb 0.40 -1.00 0.73 0.00 -2.42 0.00 0.00 31.31 29.02 3dpw n TRP 57 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 3dpw h PRO 58 N 0.00 0.01 0.00 -0.99 0.11 -1.89 -0.40 132.00 128.83 3dpw h PRO 58 Ca 0.43 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.53 3dpw h PRO 58 Cb 0.66 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 3dpw h PRO 58 CO -0.96 0.01 -0.03 1.79 -0.21 0.00 0.00 178.00 178.59 3dpw h THR 59 N 0.01 0.09 0.00 -1.15 1.35 -1.61 -2.95 112.91 108.65 3dpw h THR 59 Ca 0.49 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3dpw h THR 59 Cb 1.97 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 3dpw h THR 59 CO -0.01 0.03 -0.98 0.18 -0.25 0.00 0.00 175.52 174.48 3dpw n LEU 60 N -3.16 0.77 -0.14 3.87 4.77 -0.17 -4.63 117.00 118.32 3dpw n LEU 60 Ca -0.00 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.64 3dpw n LEU 60 Cb 0.26 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3dpw n LEU 60 CO 0.26 0.18 0.77 0.58 -1.33 0.00 0.00 177.39 177.85 3dpw h VAL 61 N 0.00 0.53 0.00 4.08 2.07 -1.48 -1.10 116.25 120.36 3dpw h VAL 61 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3dpw h VAL 61 Cb 0.57 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3dpw h VAL 61 CO 0.00 0.00 -0.20 0.71 0.02 0.00 0.00 177.57 178.10 3dpw h THR 62 N -0.01 1.05 -0.14 2.57 1.35 -1.82 -2.95 112.91 112.96 3dpw h THR 62 Ca 0.22 -0.72 -0.22 0.00 -0.55 0.00 0.00 66.41 65.14 3dpw h THR 62 Cb 0.34 1.40 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 3dpw h THR 62 CO -0.47 0.20 -0.77 0.74 -0.25 0.00 0.00 175.52 174.97 3dpw h THR 63 N 0.00 1.30 0.00 6.82 2.02 -1.53 -3.46 112.91 118.06 3dpw h THR 63 Ca -0.00 -2.01 -0.13 0.00 0.77 0.00 0.00 66.41 65.04 3dpw h THR 63 Cb 0.38 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 3dpw h THR 63 CO 0.03 0.63 0.42 0.49 0.37 0.00 0.00 175.52 177.46 3dpw n PHE 64 N -3.91 0.18 0.00 3.16 3.72 -0.62 -5.07 117.46 114.92 3dpw n PHE 64 Ca -0.07 -0.89 0.00 0.00 -0.05 0.00 0.00 57.45 56.44 3dpw n PHE 64 Cb 0.74 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 3dpw n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dpw n LEU 68 N 2.99 0.00 0.33 4.37 4.77 -1.26 -5.08 117.00 123.12 3dpw n LEU 68 Ca 0.24 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.43 3dpw n LEU 68 Cb 0.40 0.00 1.15 0.00 -2.33 0.00 0.00 43.42 42.64 3dpw n LEU 68 CO 0.26 0.00 1.18 0.24 -1.33 0.00 0.00 177.39 177.74 3dpw h MET 69 N 0.00 0.00 0.00 3.23 2.86 -2.00 -1.96 114.93 117.07 3dpw h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dpw h MET 69 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dpw h MET 69 CO 0.00 0.00 0.11 0.00 1.06 0.00 0.00 176.91 178.08 3dpw n PHE 71 N -2.60 0.12 -1.71 0.00 3.72 -0.74 -4.70 117.46 111.56 3dpw n PHE 71 Ca -0.02 -0.06 -0.43 0.00 -0.05 0.00 0.00 57.45 56.89 3dpw n PHE 71 Cb 0.15 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 3dpw n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dpw n ALA 72 N 0.53 1.57 -2.68 4.37 0.00 -0.75 -3.97 120.51 119.58 3dpw n ALA 72 Ca 0.17 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.56 3dpw n ALA 72 Cb 0.41 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 3dpw n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dpw s ARG 73 N -1.33 3.30 -0.21 0.00 3.52 -0.39 -4.76 118.95 119.08 3dpw s ARG 73 Ca 0.60 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 3dpw s ARG 73 Cb -0.57 -4.09 -0.00 0.00 -1.56 0.00 0.00 34.95 28.73 3dpw s ARG 73 CO 0.57 -1.61 1.19 0.71 -0.81 0.00 0.00 175.30 175.36 3dpw s TYR 74 N 4.18 2.99 0.62 5.12 1.51 -1.26 -0.97 117.35 129.53 3dpw s TYR 74 Ca 0.30 1.14 -0.18 0.00 -1.01 0.00 0.00 57.07 57.32 3dpw s TYR 74 Cb -0.13 -3.49 -0.06 0.00 -0.11 0.00 0.00 41.96 38.17 3dpw s TYR 74 CO 0.18 -1.30 0.70 -2.30 -1.11 0.00 0.00 175.55 171.72 3dpw n PRO 75 N 6.62 0.60 -0.26 -1.71 -0.02 -1.26 -4.79 135.00 134.18 3dpw n PRO 75 Ca 0.13 0.24 0.04 0.00 -2.02 0.00 0.00 63.50 61.89 3dpw n PRO 75 Cb 0.45 -1.91 0.17 0.00 -0.02 0.00 0.00 33.50 32.20 3dpw n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dpw h ASP 76 N 0.18 0.41 0.21 2.55 3.58 -2.00 -1.12 116.42 120.23 3dpw h ASP 76 Ca -0.47 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.07 3dpw h ASP 76 Cb 1.38 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.45 3dpw h ASP 76 CO 0.47 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 177.03 3dpw n HIS 77 N -4.91 0.00 0.03 0.28 1.44 -1.26 -2.40 115.22 108.39 3dpw n HIS 77 Ca 0.13 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.88 3dpw n HIS 77 Cb 0.36 -0.45 0.08 0.00 0.12 0.00 0.00 29.99 30.10 3dpw n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dpw n MET 78 N -1.45 1.98 0.27 -1.40 2.81 -0.43 -4.78 117.12 114.12 3dpw n MET 78 Ca 0.02 -1.59 0.13 0.00 -1.81 0.00 0.00 57.70 54.45 3dpw n MET 78 Cb 0.07 -1.18 0.75 0.00 -0.71 0.00 0.00 33.22 32.15 3dpw n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dpw h LYS 79 N 1.49 0.00 0.00 0.03 1.57 -1.40 0.10 116.57 118.36 3dpw h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dpw h LYS 79 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3dpw h LYS 79 CO 0.00 0.11 0.00 1.04 -0.57 0.00 0.00 179.45 180.03 3dpw n GLN 80 N -3.63 0.05 -0.09 3.15 6.02 -1.26 -3.00 117.38 118.63 3dpw n GLN 80 Ca -0.02 0.28 0.10 0.00 -0.01 0.00 0.00 57.00 57.35 3dpw n GLN 80 Cb 0.23 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.13 3dpw n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dpw n HIS 81 N -1.43 0.24 -2.92 1.08 8.25 0.36 -4.67 115.22 116.13 3dpw n HIS 81 Ca 0.03 -0.14 -0.44 0.00 -0.26 0.00 0.00 57.72 56.91 3dpw n HIS 81 Cb 0.11 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 3dpw n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dpw s ASP 82 N -1.49 6.82 0.26 0.41 -1.08 -1.16 -4.48 116.67 115.94 3dpw s ASP 82 Ca 0.29 -2.44 -0.05 0.00 -0.52 0.00 0.00 52.55 49.84 3dpw s ASP 82 Cb 0.18 -2.41 0.32 0.00 -1.46 0.00 0.00 42.92 39.55 3dpw s ASP 82 CO 0.26 -0.95 1.92 0.15 0.52 0.00 0.00 175.17 177.07 3dpw h PHE 83 N 8.13 1.24 -0.30 -5.34 3.57 -1.89 -3.09 116.94 119.26 3dpw h PHE 83 Ca 0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3dpw h PHE 83 Cb 0.96 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3dpw h PHE 83 CO 1.15 0.74 0.09 0.74 -2.23 0.00 0.00 178.31 178.80 3dpw h PHE 84 N 1.30 0.48 -0.10 0.41 0.04 -1.88 -2.21 116.94 114.98 3dpw h PHE 84 Ca 0.38 -0.05 -0.23 0.00 2.80 0.00 0.00 57.97 60.88 3dpw h PHE 84 Cb -0.06 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 37.96 3dpw h PHE 84 CO -0.00 0.51 -0.84 0.87 -0.60 0.00 0.00 178.31 178.25 3dpw h LYS 85 N 0.32 0.68 -0.76 1.51 1.57 -1.84 -3.19 116.57 114.86 3dpw h LYS 85 Ca 0.10 -0.60 0.22 0.00 -1.87 0.00 0.00 60.65 58.49 3dpw h LYS 85 Cb 0.25 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3dpw h LYS 85 CO -0.00 1.21 0.54 0.66 -0.57 0.00 0.00 179.45 181.29 3dpw h SER 86 N 0.45 0.03 0.93 0.86 4.64 -1.41 -1.51 113.55 117.54 3dpw h SER 86 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3dpw h SER 86 Cb 1.46 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 3dpw h SER 86 CO 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 3dpw n ALA 87 N -2.67 2.32 -2.12 5.18 0.00 -0.85 -4.79 120.51 117.58 3dpw n ALA 87 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 3dpw n ALA 87 Cb 0.81 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 3dpw n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dpw s MET 88 N -2.95 3.78 0.18 0.00 1.00 -0.57 -0.87 119.30 119.87 3dpw s MET 88 Ca 0.15 0.55 0.26 0.00 0.00 0.00 0.00 55.69 56.65 3dpw s MET 88 Cb 0.19 -2.33 0.89 0.00 0.00 0.00 0.00 34.83 33.58 3dpw s MET 88 CO 0.51 -0.12 1.80 -0.35 0.00 0.00 0.00 175.02 176.86 3dpw n PRO 89 N -1.49 0.21 -0.05 2.03 -0.04 -1.26 -4.84 135.00 129.57 3dpw n PRO 89 Ca 0.03 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 3dpw n PRO 89 Cb 0.54 -1.76 0.50 0.00 -0.04 0.00 0.00 33.50 32.74 3dpw n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dpw h GLU 90 N 0.00 0.40 0.00 0.54 3.07 -1.92 -2.74 114.58 113.93 3dpw h GLU 90 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3dpw h GLU 90 Cb 0.68 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3dpw h GLU 90 CO 0.00 0.26 0.00 0.41 -1.40 0.00 0.00 179.01 178.28 3dpw n GLY 91 N -1.51 -1.94 3.19 -3.84 0.00 -0.04 -4.63 105.19 96.42 3dpw n GLY 91 Ca 0.08 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 3dpw n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dpw s TYR 92 N -0.09 0.15 -0.21 1.61 -0.85 -0.30 -0.77 117.35 116.88 3dpw s TYR 92 Ca 0.00 -0.52 -0.11 0.00 -0.52 0.00 0.00 57.07 55.91 3dpw s TYR 92 Cb 0.00 -0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.22 3dpw s TYR 92 CO 0.00 -0.50 0.19 0.08 -1.52 0.00 0.00 175.55 173.80 3dpw s VAL 93 N -3.47 5.35 -0.22 -3.49 1.01 -0.13 -0.78 120.40 118.69 3dpw s VAL 93 Ca 0.02 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 3dpw s VAL 93 Cb 0.03 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3dpw s VAL 93 CO -0.09 0.37 -0.04 -1.58 0.00 0.00 0.00 175.10 173.76 3dpw s GLN 94 N 0.78 3.39 -0.01 2.72 0.74 0.71 -1.87 119.66 126.12 3dpw s GLN 94 Ca 0.10 -0.62 0.08 0.00 0.05 0.00 0.00 55.36 54.97 3dpw s GLN 94 Cb -0.13 -3.00 -0.02 0.00 1.10 0.00 0.00 33.01 30.96 3dpw s GLN 94 CO 0.03 -0.18 -0.26 -1.21 -0.55 0.00 0.00 175.29 173.12 3dpw s GLU 95 N 1.42 2.06 0.08 1.67 2.02 0.22 -1.38 118.70 124.79 3dpw s GLU 95 Ca 0.05 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.10 3dpw s GLU 95 Cb -0.14 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 3dpw s GLU 95 CO -0.03 0.55 -0.07 1.03 0.02 0.00 0.00 175.26 176.76 3dpw s ARG 96 N -0.73 0.74 -0.18 1.61 0.52 -0.63 -1.36 118.95 118.92 3dpw s ARG 96 Ca 0.10 -1.14 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 3dpw s ARG 96 Cb -0.10 -0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.12 3dpw s ARG 96 CO -0.00 0.01 -0.19 0.99 0.02 0.00 0.00 175.30 176.14 3dpw s THR 97 N -2.79 2.22 -0.37 0.02 2.01 -0.59 -1.52 115.64 114.62 3dpw s THR 97 Ca 0.04 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 3dpw s THR 97 Cb -0.00 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.60 3dpw s THR 97 CO -0.03 0.53 0.20 -0.63 -0.69 0.00 0.00 174.62 174.00 3dpw s ILE 98 N 1.20 4.57 -0.51 1.82 1.01 0.13 -1.45 121.20 127.98 3dpw s ILE 98 Ca 0.03 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.65 3dpw s ILE 98 Cb -0.14 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.85 3dpw s ILE 98 CO -0.10 -0.20 0.77 -0.36 0.00 0.00 0.00 174.94 175.05 3dpw s PHE 99 N 1.56 2.95 -0.28 3.97 0.08 0.37 -1.50 117.98 125.12 3dpw s PHE 99 Ca 0.02 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 56.60 3dpw s PHE 99 Cb -0.19 -3.73 0.01 0.00 -0.57 0.00 0.00 43.02 38.55 3dpw s PHE 99 CO 0.07 -1.12 1.08 -0.06 -0.10 0.00 0.00 175.22 175.09 3dpw s PHE 100 N 3.23 3.17 0.11 0.36 0.40 -0.46 -0.88 117.98 123.91 3dpw s PHE 100 Ca 0.24 1.26 -0.35 0.00 -0.60 0.00 0.00 56.93 57.47 3dpw s PHE 100 Cb -0.15 -3.56 -0.15 0.00 0.51 0.00 0.00 43.02 39.66 3dpw s PHE 100 CO 0.17 -0.77 1.46 1.17 0.70 0.00 0.00 175.22 177.96 3dpw n LYS 101 N 6.71 1.61 -1.63 0.44 3.00 -0.33 -1.01 118.16 126.96 3dpw n LYS 101 Ca 0.12 0.58 -0.19 0.00 -0.00 0.00 0.00 58.31 58.83 3dpw n LYS 101 Cb 0.47 -2.29 -0.07 0.00 0.00 0.00 0.00 35.03 33.14 3dpw n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dpw n ASP 102 N 3.06 -5.29 -0.05 3.14 8.00 -1.26 -4.82 116.55 119.33 3dpw n ASP 102 Ca 0.18 0.42 0.00 0.00 0.71 0.00 0.00 54.79 56.10 3dpw n ASP 102 Cb 0.23 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 3dpw n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dpw n ASP 103 N -1.10 0.00 -2.26 -2.24 -0.08 -0.18 -4.94 116.55 105.76 3dpw n ASP 103 Ca -0.19 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.04 3dpw n ASP 103 Cb 0.62 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.08 3dpw n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dpw n GLY 104 N 0.00 -0.47 3.00 0.27 0.00 -1.18 -4.59 105.19 102.22 3dpw n GLY 104 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 3dpw n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpw s ASN 105 N -1.00 0.35 -0.12 1.61 2.20 -0.74 -1.36 114.94 115.88 3dpw s ASN 105 Ca 0.00 -0.54 -0.06 0.00 -0.94 0.00 0.00 52.86 51.32 3dpw s ASN 105 Cb 0.00 0.10 -0.04 0.00 -2.00 0.00 0.00 41.25 39.31 3dpw s ASN 105 CO 0.00 -0.30 0.12 -0.31 -2.94 0.00 0.00 177.10 173.67 3dpw s TYR 106 N -1.60 3.54 -0.14 1.54 2.02 -0.56 -1.41 117.35 120.74 3dpw s TYR 106 Ca -0.14 0.49 0.02 0.00 -0.37 0.00 0.00 57.07 57.07 3dpw s TYR 106 Cb -0.09 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.56 3dpw s TYR 106 CO -0.01 0.70 -0.21 0.15 -1.57 0.00 0.00 175.55 174.61 3dpw s LYS 107 N -1.00 3.06 0.05 -0.62 1.02 0.25 0.20 119.74 122.70 3dpw s LYS 107 Ca 0.15 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.36 3dpw s LYS 107 Cb -0.12 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 3dpw s LYS 107 CO 0.04 0.02 -0.17 0.95 -0.92 0.00 0.00 175.35 175.26 3dpw s THR 108 N 0.75 1.36 -0.07 2.17 -4.23 -0.58 -0.65 115.64 114.40 3dpw s THR 108 Ca -0.08 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.26 3dpw s THR 108 Cb -0.16 -1.22 0.03 0.00 1.34 0.00 0.00 72.50 72.49 3dpw s THR 108 CO -0.00 0.04 -0.02 -0.60 -0.54 0.00 0.00 174.62 173.49 3dpw s ARG 109 N -1.31 0.75 -0.02 3.99 3.52 0.02 -1.60 118.95 124.29 3dpw s ARG 109 Ca 0.04 0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.70 3dpw s ARG 109 Cb -0.09 -0.98 -0.01 0.00 -1.56 0.00 0.00 34.95 32.32 3dpw s ARG 109 CO 0.02 -0.23 -0.15 0.00 -0.81 0.00 0.00 175.30 174.13 3dpw s ALA 110 N 1.63 1.26 -0.20 6.12 0.00 -0.48 -0.91 121.76 129.20 3dpw s ALA 110 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 3dpw s ALA 110 Cb -0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3dpw s ALA 110 CO -0.04 0.28 -0.02 -1.21 0.00 0.00 0.00 175.76 174.77 3dpw s GLU 111 N -0.20 3.55 -0.20 0.00 2.02 -0.35 -0.21 118.70 123.32 3dpw s GLU 111 Ca 0.03 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 3dpw s GLU 111 Cb -0.07 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.14 3dpw s GLU 111 CO 0.00 0.00 -0.11 0.08 0.02 0.00 0.00 175.26 175.26 3dpw s VAL 112 N 1.00 2.89 0.08 2.63 1.01 0.04 -2.02 120.40 126.04 3dpw s VAL 112 Ca 0.01 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 3dpw s VAL 112 Cb -0.14 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.04 3dpw s VAL 112 CO 0.01 0.47 0.91 -1.59 0.00 0.00 0.00 175.10 174.91 3dpw s LYS 113 N 1.28 1.03 0.30 2.72 -2.85 -0.46 -1.14 119.74 120.61 3dpw s LYS 113 Ca 0.03 -0.49 -0.28 0.00 -1.00 0.00 0.00 55.97 54.23 3dpw s LYS 113 Cb -0.14 0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 35.94 3dpw s LYS 113 CO -0.05 -0.47 1.03 -0.06 0.10 0.00 0.00 175.35 175.90 3dpw s PHE 114 N -3.23 3.64 -0.39 1.78 0.08 -1.03 -1.29 117.98 117.53 3dpw s PHE 114 Ca 0.09 1.76 0.03 0.00 0.12 0.00 0.00 56.93 58.92 3dpw s PHE 114 Cb -0.01 -3.13 0.11 0.00 -0.57 0.00 0.00 43.02 39.42 3dpw s PHE 114 CO -0.03 -0.21 0.13 -1.21 -0.10 0.00 0.00 175.22 173.80 3dpw s GLU 115 N -1.65 1.45 7.86 0.44 0.41 -0.01 -4.93 118.70 122.28 3dpw s GLU 115 Ca 0.47 -1.95 0.00 0.00 -0.41 0.00 0.00 54.97 53.08 3dpw s GLU 115 Cb -0.27 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.16 3dpw s GLU 115 CO 0.34 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.50 3dpw n GLY 116 N 3.97 3.58 0.01 -1.39 0.00 -1.26 -2.61 105.19 107.48 3dpw n GLY 116 Ca 0.04 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3dpw n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dpw n ASP 117 N 6.39 0.27 -4.70 1.61 8.00 -1.26 -4.87 116.55 121.99 3dpw n ASP 117 Ca 0.00 0.18 -0.39 0.00 0.71 0.00 0.00 54.79 55.30 3dpw n ASP 117 Cb 0.00 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 3dpw n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dpw s THR 118 N -3.01 5.13 -0.22 -3.53 2.01 -1.07 -4.30 115.64 110.64 3dpw s THR 118 Ca 0.12 1.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.98 3dpw s THR 118 Cb 0.18 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 3dpw s THR 118 CO 0.61 0.26 0.74 -0.22 -0.69 0.00 0.00 174.62 175.32 3dpw s LEU 119 N 0.97 4.11 -0.05 4.42 1.98 0.06 -0.83 118.68 129.34 3dpw s LEU 119 Ca 0.28 0.94 0.05 0.00 -2.89 0.00 0.00 54.13 52.52 3dpw s LEU 119 Cb -0.16 -3.05 -0.02 0.00 0.66 0.00 0.00 46.19 43.62 3dpw s LEU 119 CO 0.12 -0.40 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.28 3dpw s VAL 120 N 2.42 2.49 -0.37 1.68 1.01 -0.41 -1.40 120.40 125.82 3dpw s VAL 120 Ca 0.32 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3dpw s VAL 120 Cb -0.16 -1.93 0.11 0.00 0.00 0.00 0.00 36.38 34.40 3dpw s VAL 120 CO 0.09 0.58 0.13 0.21 0.00 0.00 0.00 175.10 176.11 3dpw s ASN 121 N -0.48 4.19 -0.24 3.32 2.47 -0.59 -1.36 114.94 122.25 3dpw s ASN 121 Ca 0.06 -2.16 -0.15 0.00 0.42 0.00 0.00 52.86 51.03 3dpw s ASN 121 Cb -0.12 -1.20 -0.04 0.00 -1.45 0.00 0.00 41.25 38.44 3dpw s ASN 121 CO 0.01 -0.35 0.36 -0.13 -3.72 0.00 0.00 177.10 173.27 3dpw s ARG 122 N 0.92 4.08 -0.01 0.43 0.52 -0.85 -1.43 118.95 122.61 3dpw s ARG 122 Ca 0.13 0.06 0.07 0.00 -0.52 0.00 0.00 55.73 55.47 3dpw s ARG 122 Cb -0.20 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 3dpw s ARG 122 CO -0.12 -0.15 -0.22 0.42 0.02 0.00 0.00 175.30 175.25 3dpw s ILE 123 N 1.68 1.76 -0.05 1.52 1.01 0.96 -1.21 121.20 126.86 3dpw s ILE 123 Ca 0.16 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.88 3dpw s ILE 123 Cb -0.15 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 3dpw s ILE 123 CO 0.09 0.47 -0.24 -1.61 0.00 0.00 0.00 174.94 173.64 3dpw s GLU 124 N -0.60 2.44 -0.03 2.79 2.02 -0.08 -1.08 118.70 124.15 3dpw s GLU 124 Ca 0.09 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.22 3dpw s GLU 124 Cb -0.09 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 32.07 3dpw s GLU 124 CO -0.01 0.37 -0.06 -1.17 0.02 0.00 0.00 175.26 174.41 3dpw s LEU 125 N -0.16 1.66 -0.08 1.80 0.20 -0.07 -0.80 118.68 121.22 3dpw s LEU 125 Ca -0.03 -0.14 -0.01 0.00 0.69 0.00 0.00 54.13 54.64 3dpw s LEU 125 Cb -0.13 -0.44 0.03 0.00 -0.43 0.00 0.00 46.19 45.21 3dpw s LEU 125 CO 0.03 0.02 -0.03 -0.75 -0.29 0.00 0.00 176.35 175.33 3dpw s LYS 126 N 0.40 0.99 -0.11 1.98 2.47 0.18 -2.20 119.74 123.46 3dpw s LYS 126 Ca -0.05 -0.05 -0.00 0.00 -1.56 0.00 0.00 55.97 54.30 3dpw s LYS 126 Cb -0.09 -1.20 -0.02 0.00 -1.46 0.00 0.00 37.83 35.05 3dpw s LYS 126 CO 0.00 -0.27 -0.09 0.20 0.16 0.00 0.00 175.35 175.35 3dpw s GLY 127 N 1.77 1.62 0.14 5.54 0.00 0.26 -0.58 107.32 116.07 3dpw s GLY 127 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.89 3dpw s GLY 127 CO -0.06 -0.38 -0.03 -0.26 0.00 0.00 0.00 173.10 172.36 3dpw s ILE 128 N -0.14 0.71 -1.36 0.90 -4.36 -0.50 -0.52 121.20 115.93 3dpw s ILE 128 Ca 0.01 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 3dpw s ILE 128 Cb -0.13 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.66 3dpw s ILE 128 CO 0.03 -0.66 0.00 0.47 0.24 0.00 0.00 174.94 175.02 3dpw n ASP 129 N -0.15 -4.63 -4.80 4.36 8.00 -1.26 -1.80 116.55 116.27 3dpw n ASP 129 Ca -0.09 0.07 -0.35 0.00 0.71 0.00 0.00 54.79 55.13 3dpw n ASP 129 Cb 0.62 -3.70 -0.06 0.00 -0.02 0.00 0.00 41.12 37.97 3dpw n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dpw s PHE 130 N -2.71 3.35 -0.07 1.24 0.08 -1.26 -3.07 117.98 115.54 3dpw s PHE 130 Ca 0.00 1.66 -0.26 0.00 0.12 0.00 0.00 56.93 58.45 3dpw s PHE 130 Cb 0.00 -2.96 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 3dpw s PHE 130 CO 0.00 -0.25 0.80 0.15 -0.10 0.00 0.00 175.22 175.82 3dpw s LYS 131 N -2.74 4.45 0.26 0.44 1.02 -1.26 -4.90 119.74 117.01 3dpw s LYS 131 Ca 0.59 1.06 -0.07 0.00 0.02 0.00 0.00 55.97 57.57 3dpw s LYS 131 Cb -0.15 -3.47 0.47 0.00 -0.52 0.00 0.00 37.83 34.15 3dpw s LYS 131 CO 0.20 -0.04 1.60 0.93 -0.92 0.00 0.00 175.35 177.12 3dpw h GLU 132 N 6.87 0.04 -0.62 1.68 4.39 -1.96 -1.36 114.58 123.63 3dpw h GLU 132 Ca -0.39 -0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.06 3dpw h GLU 132 Cb 1.19 -0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 29.68 3dpw h GLU 132 CO 0.77 0.02 0.22 -0.40 -1.16 0.00 0.00 179.01 178.46 3dpw n ASP 133 N -5.47 3.66 -1.99 1.42 5.68 -1.26 -3.60 116.55 114.99 3dpw n ASP 133 Ca 0.15 -3.48 0.00 0.00 -0.50 0.00 0.00 54.79 50.96 3dpw n ASP 133 Cb 0.51 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 3dpw n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dpw n GLY 134 N -0.78 -0.02 0.17 6.12 0.00 -0.51 -4.76 105.19 105.41 3dpw n GLY 134 Ca 0.41 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.65 3dpw n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dpw h ASN 135 N 0.00 0.00 0.00 1.61 2.35 -1.94 -1.15 115.58 116.45 3dpw h ASN 135 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dpw h ASN 135 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dpw h ASN 135 CO 0.00 0.44 -0.08 0.40 -1.65 0.00 0.00 177.43 176.54 3dpw h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.94 -0.25 117.51 123.16 3dpw h ILE 136 Ca -0.00 -0.33 -0.01 0.00 -0.12 0.00 0.00 64.86 64.40 3dpw h ILE 136 Cb 1.05 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.84 3dpw h ILE 136 CO 0.06 0.00 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.43 3dpw h LEU 137 N -0.33 0.00 0.00 1.44 3.38 -1.74 -1.14 115.31 116.92 3dpw h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dpw h LEU 137 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dpw h LEU 137 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3dpw n GLY 138 N -1.40 -1.41 3.46 0.83 0.00 -0.44 -4.93 105.19 101.30 3dpw n GLY 138 Ca -0.03 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 3dpw n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dpw n HIS 139 N -1.44 -2.23 0.09 1.61 8.25 -0.43 -4.94 115.22 116.14 3dpw n HIS 139 Ca 0.09 0.69 0.07 0.00 -0.26 0.00 0.00 57.72 58.31 3dpw n HIS 139 Cb 0.30 -3.74 0.15 0.00 1.12 0.00 0.00 29.99 27.82 3dpw n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dpw n LYS 140 N -3.53 2.14 -3.76 -0.41 5.02 -0.11 -5.01 118.16 112.51 3dpw n LYS 140 Ca -0.08 -1.90 -0.34 0.00 -2.02 0.00 0.00 58.31 53.97 3dpw n LYS 140 Cb 0.60 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 3dpw n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dpw s LEU 141 N -1.09 4.35 0.45 -0.35 1.43 -1.25 -0.77 118.68 121.46 3dpw s LEU 141 Ca 0.25 0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 53.68 3dpw s LEU 141 Cb 0.15 -2.84 -0.09 0.00 0.03 0.00 0.00 46.19 43.44 3dpw s LEU 141 CO 0.20 0.20 1.03 -1.61 0.23 0.00 0.00 176.35 176.40 3dpw s GLU 142 N -2.03 3.95 -1.29 1.70 2.02 0.43 -4.85 118.70 118.63 3dpw s GLU 142 Ca 0.31 1.39 -0.16 0.00 0.02 0.00 0.00 54.97 56.53 3dpw s GLU 142 Cb -0.13 -2.25 0.10 0.00 0.10 0.00 0.00 34.13 31.95 3dpw s GLU 142 CO 0.19 -0.30 1.73 0.98 0.02 0.00 0.00 175.26 177.88 3dpw n TYR 143 N -0.65 4.51 -3.59 1.61 9.36 -1.26 -4.82 117.16 122.32 3dpw n TYR 143 Ca 0.08 -2.99 -0.06 0.00 3.32 0.00 0.00 57.90 58.25 3dpw n TYR 143 Cb 0.52 -2.47 0.02 0.00 -0.63 0.00 0.00 39.34 36.78 3dpw n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dpw n ASN 144 N 7.10 -1.54 -3.64 2.98 0.23 -1.26 -4.93 115.26 114.21 3dpw n ASN 144 Ca 0.46 -2.03 -0.09 0.00 -0.53 0.00 0.00 54.58 52.39 3dpw n ASN 144 Cb 0.44 2.56 -0.07 0.00 -2.08 0.00 0.00 39.78 40.63 3dpw n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dpw s TYR 145 N -4.06 -0.82 0.45 -2.53 5.04 -1.26 -4.87 117.35 109.29 3dpw s TYR 145 Ca 0.12 1.77 0.01 0.00 -2.44 0.00 0.00 57.07 56.53 3dpw s TYR 145 Cb -0.03 0.44 -0.00 0.00 0.35 0.00 0.00 41.96 42.72 3dpw s TYR 145 CO 0.08 -0.40 0.66 -0.80 -1.34 0.00 0.00 175.55 173.75 3dpw s ASN 146 N 1.01 5.81 0.23 4.32 0.01 -1.26 -4.81 114.94 120.25 3dpw s ASN 146 Ca -0.05 0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 52.03 3dpw s ASN 146 Cb -0.05 -1.47 -0.09 0.00 0.41 0.00 0.00 41.25 40.05 3dpw s ASN 146 CO -0.11 -0.70 1.06 -0.44 -1.51 0.00 0.00 177.10 175.40 3dpw s SER 147 N -4.22 7.35 0.12 -1.22 0.01 -1.26 -4.64 113.70 109.83 3dpw s SER 147 Ca 0.49 2.13 -0.01 0.00 1.31 0.00 0.00 55.95 59.87 3dpw s SER 147 Cb -0.10 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 3dpw s SER 147 CO 0.37 -0.11 0.03 -1.00 0.41 0.00 0.00 173.24 172.94 3dpw s HIS 148 N -0.81 0.85 0.03 2.43 3.76 -1.00 -5.02 115.29 115.53 3dpw s HIS 148 Ca 0.46 -1.16 0.04 0.00 -0.15 0.00 0.00 55.06 54.24 3dpw s HIS 148 Cb -0.30 -0.49 -0.04 0.00 1.11 0.00 0.00 32.58 32.86 3dpw s HIS 148 CO 0.37 -0.44 -0.05 -0.80 -0.85 0.00 0.00 174.74 172.97 3dpw s ASN 149 N -3.04 4.74 -0.18 1.40 0.02 -1.26 -0.91 114.94 115.70 3dpw s ASN 149 Ca 0.20 -0.17 0.01 0.00 -1.02 0.00 0.00 52.86 51.89 3dpw s ASN 149 Cb 0.07 -1.10 0.03 0.00 0.02 0.00 0.00 41.25 40.27 3dpw s ASN 149 CO -0.00 0.25 -0.16 -0.69 0.02 0.00 0.00 177.10 176.51 3dpw s VAL 150 N -1.10 1.91 -0.30 1.60 1.01 -0.37 -4.76 120.40 118.38 3dpw s VAL 150 Ca 0.20 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 3dpw s VAL 150 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3dpw s VAL 150 CO 0.11 0.41 0.36 -0.31 0.00 0.00 0.00 175.10 175.67 3dpw s TYR 151 N 1.33 3.23 -0.16 5.22 2.02 -1.22 -0.67 117.35 127.09 3dpw s TYR 151 Ca 0.03 0.21 -0.08 0.00 -0.37 0.00 0.00 57.07 56.87 3dpw s TYR 151 Cb -0.14 -2.61 -0.04 0.00 -0.40 0.00 0.00 41.96 38.76 3dpw s TYR 151 CO -0.11 -0.32 0.10 0.42 -1.57 0.00 0.00 175.55 174.07 3dpw s ILE 152 N 2.05 5.14 0.03 2.71 1.01 -0.24 -2.96 121.20 128.94 3dpw s ILE 152 Ca 0.13 0.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.87 3dpw s ILE 152 Cb -0.16 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 3dpw s ILE 152 CO 0.11 0.52 -0.04 0.00 0.00 0.00 0.00 174.94 175.53 3dpw s MET 153 N -0.18 0.43 0.45 2.79 0.23 0.21 -2.65 119.30 120.59 3dpw s MET 153 Ca 0.09 -0.81 -0.24 0.00 -1.03 0.00 0.00 55.69 53.70 3dpw s MET 153 Cb -0.12 0.09 -0.07 0.00 -1.53 0.00 0.00 34.83 33.20 3dpw s MET 153 CO 0.01 -0.06 1.26 0.00 -2.03 0.00 0.00 175.02 174.20 3dpw s ALA 154 N -2.21 3.06 -0.51 3.16 0.00 -1.26 -0.41 121.76 123.60 3dpw s ALA 154 Ca -0.08 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.05 3dpw s ALA 154 Cb -0.05 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.75 3dpw s ALA 154 CO -0.03 -0.87 0.28 0.34 0.00 0.00 0.00 175.76 175.47 3dpw s ASP 155 N -1.02 4.03 0.18 0.00 -1.08 -0.05 -4.50 116.67 114.23 3dpw s ASP 155 Ca 0.62 -2.96 -0.13 0.00 -0.52 0.00 0.00 52.55 49.57 3dpw s ASP 155 Cb -0.35 -1.37 0.09 0.00 -1.46 0.00 0.00 42.92 39.83 3dpw s ASP 155 CO 0.43 -0.23 1.85 0.11 0.52 0.00 0.00 175.17 177.85 3dpw h LYS 156 N 6.44 0.79 -0.74 4.34 6.56 -1.95 -1.37 116.57 130.65 3dpw h LYS 156 Ca -0.02 -0.05 0.16 0.00 -1.06 0.00 0.00 60.65 59.68 3dpw h LYS 156 Cb 0.89 -0.18 -0.05 0.00 -0.57 0.00 0.00 32.23 32.33 3dpw h LYS 156 CO 0.60 0.53 0.50 -0.56 -2.06 0.00 0.00 179.45 178.47 3dpw h GLN 157 N 0.81 0.32 -0.60 3.15 -0.00 -1.95 -2.46 115.11 114.38 3dpw h GLN 157 Ca 0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 3dpw h GLN 157 Cb -0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.32 3dpw h GLN 157 CO -0.05 0.21 0.00 1.63 -0.00 0.00 0.00 178.83 180.62 3dpw n LYS 158 N -4.45 4.70 -4.39 0.06 5.02 -0.59 -4.94 118.16 113.57 3dpw n LYS 158 Ca 0.14 -3.08 -0.38 0.00 -2.02 0.00 0.00 58.31 52.97 3dpw n LYS 158 Cb 0.58 -2.21 -0.06 0.00 -0.02 0.00 0.00 35.03 33.32 3dpw n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dpw n ASN 159 N 0.70 -1.82 0.00 4.39 5.15 -0.93 -4.71 115.26 118.04 3dpw n ASN 159 Ca 0.27 -1.17 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 3dpw n ASN 159 Cb 1.15 -2.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 3dpw n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dpw n GLY 160 N -1.42 3.81 3.10 8.20 0.00 -0.75 -4.41 105.19 113.71 3dpw n GLY 160 Ca 0.02 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 3dpw n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dpw s ILE 161 N -0.53 0.75 0.06 -0.61 -4.36 -0.74 -0.88 121.20 114.89 3dpw s ILE 161 Ca 0.00 -1.10 0.07 0.00 -0.26 0.00 0.00 60.65 59.36 3dpw s ILE 161 Cb 0.00 -0.76 -0.03 0.00 1.25 0.00 0.00 42.46 42.91 3dpw s ILE 161 CO 0.00 -0.28 -0.15 -0.54 0.24 0.00 0.00 174.94 174.21 3dpw s LYS 162 N -1.52 2.11 -0.02 0.37 1.02 0.45 -1.05 119.74 121.11 3dpw s LYS 162 Ca -0.06 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 54.96 3dpw s LYS 162 Cb -0.09 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 3dpw s LYS 162 CO 0.01 0.54 -0.02 0.08 -0.92 0.00 0.00 175.35 175.04 3dpw s VAL 163 N -1.01 0.22 0.07 3.17 1.01 -0.15 -0.62 120.40 123.10 3dpw s VAL 163 Ca 0.16 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3dpw s VAL 163 Cb -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3dpw s VAL 163 CO 0.07 0.11 -0.08 0.21 0.00 0.00 0.00 175.10 175.41 3dpw s ASN 164 N 0.45 1.07 0.00 3.32 3.84 -1.16 -1.00 114.94 121.46 3dpw s ASN 164 Ca -0.04 -0.75 0.00 0.00 0.21 0.00 0.00 52.86 52.28 3dpw s ASN 164 Cb -0.07 0.05 0.00 0.00 -0.55 0.00 0.00 41.25 40.68 3dpw s ASN 164 CO -0.01 -0.30 0.00 2.22 -2.79 0.00 0.00 177.10 176.22 3dpw n PHE 165 N 0.81 0.00 -4.84 0.43 -1.74 -0.66 -3.37 117.46 108.08 3dpw n PHE 165 Ca -0.18 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.38 3dpw n PHE 165 Cb 0.57 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.42 3dpw n PHE 165 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 3dpw s LYS 166 N -2.00 3.33 -0.14 3.97 1.02 -1.26 -0.75 119.74 123.91 3dpw s LYS 166 Ca 0.00 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.24 3dpw s LYS 166 Cb 0.00 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 3dpw s LYS 166 CO 0.00 0.22 -0.02 0.42 -0.92 0.00 0.00 175.35 175.05 3dpw s ILE 167 N 0.33 4.07 -0.34 2.17 -1.09 -0.46 -4.94 121.20 120.93 3dpw s ILE 167 Ca -0.12 -0.31 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 3dpw s ILE 167 Cb -0.16 -2.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.98 3dpw s ILE 167 CO 0.06 0.51 0.13 -0.13 -1.23 0.00 0.00 174.94 174.28 3dpw s ARG 168 N 0.07 2.75 -0.05 2.79 0.52 -1.26 0.21 118.95 123.99 3dpw s ARG 168 Ca 0.01 -1.10 -0.22 0.00 -0.52 0.00 0.00 55.73 53.90 3dpw s ARG 168 Cb -0.13 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 3dpw s ARG 168 CO 0.02 -0.63 0.65 -1.01 0.02 0.00 0.00 175.30 174.35 3dpw s HIS 169 N 1.46 3.61 0.06 -0.53 3.76 -0.02 -4.67 115.29 118.95 3dpw s HIS 169 Ca -0.00 1.21 -0.31 0.00 -0.15 0.00 0.00 55.06 55.81 3dpw s HIS 169 Cb -0.19 -2.72 -0.07 0.00 1.11 0.00 0.00 32.58 30.71 3dpw s HIS 169 CO 0.04 0.19 1.45 -0.80 -0.85 0.00 0.00 174.74 174.76 3dpw s ASN 170 N 0.43 6.79 0.06 1.40 0.01 -1.26 -0.59 114.94 121.78 3dpw s ASN 170 Ca 0.34 2.27 -0.05 0.00 -0.71 0.00 0.00 52.86 54.71 3dpw s ASN 170 Cb -0.18 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 3dpw s ASN 170 CO 0.17 -0.73 0.30 -0.63 -1.51 0.00 0.00 177.10 174.70 3dpw s ILE 171 N 1.98 5.26 0.51 0.60 1.01 -0.75 -0.43 121.20 129.37 3dpw s ILE 171 Ca 0.66 0.07 0.35 0.00 0.00 0.00 0.00 60.65 61.73 3dpw s ILE 171 Cb -0.35 -3.60 0.38 0.00 0.01 0.00 0.00 42.46 38.90 3dpw s ILE 171 CO 0.29 0.23 2.21 1.05 0.00 0.00 0.00 174.94 178.72 3dpw h GLU 172 N 3.50 0.00 -0.02 2.79 4.11 -1.27 -0.67 114.58 123.02 3dpw h GLU 172 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3dpw h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3dpw h GLU 172 CO 0.69 0.04 0.00 -0.40 0.07 0.00 0.00 179.01 179.41 3dpw n ASP 173 N -3.42 0.20 0.00 3.06 5.68 -1.26 -4.92 116.55 115.89 3dpw n ASP 173 Ca -0.02 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3dpw n ASP 173 Cb 0.15 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3dpw n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dpw n GLY 174 N 0.86 1.12 0.00 6.12 0.00 -0.26 -5.09 105.19 107.95 3dpw n GLY 174 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3dpw n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dpw n SER 175 N 0.00 0.00 -3.76 1.61 2.88 -1.25 -4.84 113.62 108.26 3dpw n SER 175 Ca 0.00 -0.42 -0.12 0.00 -1.33 0.00 0.00 58.87 57.00 3dpw n SER 175 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 3dpw n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dpw s VAL 176 N -0.32 -0.02 -0.45 2.46 -7.23 -1.26 -1.80 120.40 111.78 3dpw s VAL 176 Ca 0.00 0.06 -0.18 0.00 -1.81 0.00 0.00 61.98 60.05 3dpw s VAL 176 Cb 0.00 -0.38 0.03 0.00 0.56 0.00 0.00 36.38 36.59 3dpw s VAL 176 CO 0.00 0.03 0.52 -1.58 -0.31 0.00 0.00 175.10 173.75 3dpw s GLN 177 N 0.64 3.12 -0.08 4.82 2.00 0.25 -4.93 119.66 125.49 3dpw s GLN 177 Ca -0.04 -0.77 -0.30 0.00 -2.00 0.00 0.00 55.36 52.26 3dpw s GLN 177 Cb -0.05 -4.01 -0.02 0.00 0.80 0.00 0.00 33.01 29.73 3dpw s GLN 177 CO -0.04 -0.99 1.00 -0.51 -0.50 0.00 0.00 175.29 174.26 3dpw s LEU 178 N 2.34 4.28 -0.38 3.68 1.43 -1.26 -0.84 118.68 127.93 3dpw s LEU 178 Ca 0.14 1.57 -0.04 0.00 -1.03 0.00 0.00 54.13 54.77 3dpw s LEU 178 Cb -0.18 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.57 3dpw s LEU 178 CO 0.14 -0.40 0.16 0.00 0.23 0.00 0.00 176.35 176.48 3dpw s ALA 179 N 1.75 3.09 -0.34 4.21 0.00 0.13 -1.19 121.76 129.41 3dpw s ALA 179 Ca 0.49 -2.27 -0.28 0.00 0.00 0.00 0.00 51.96 49.91 3dpw s ALA 179 Cb -0.19 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.62 3dpw s ALA 179 CO 0.21 -1.64 1.04 -0.51 0.00 0.00 0.00 175.76 174.86 3dpw s ASP 180 N 1.71 6.84 -0.23 0.00 1.11 -0.06 -1.36 116.67 124.69 3dpw s ASP 180 Ca 0.04 0.88 -0.10 0.00 0.18 0.00 0.00 52.55 53.56 3dpw s ASP 180 Cb -0.22 -2.52 -0.05 0.00 1.07 0.00 0.00 42.92 41.20 3dpw s ASP 180 CO -0.02 -0.90 0.13 -1.00 1.18 0.00 0.00 175.17 174.56 3dpw s HIS 181 N 3.66 3.29 -0.08 4.23 3.76 0.07 -0.48 115.29 129.74 3dpw s HIS 181 Ca 0.44 0.14 0.05 0.00 -0.15 0.00 0.00 55.06 55.54 3dpw s HIS 181 Cb -0.12 -2.23 -0.00 0.00 1.11 0.00 0.00 32.58 31.34 3dpw s HIS 181 CO 0.17 0.05 -0.24 0.71 -0.85 0.00 0.00 174.74 174.59 3dpw s TYR 182 N 0.97 2.42 -0.00 1.40 1.51 -0.53 -1.66 117.35 121.46 3dpw s TYR 182 Ca 0.07 -0.87 -0.03 0.00 -1.01 0.00 0.00 57.07 55.23 3dpw s TYR 182 Cb -0.13 -1.61 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 3dpw s TYR 182 CO 0.03 -0.32 0.05 -1.14 -1.11 0.00 0.00 175.55 173.07 3dpw s GLN 183 N 0.13 0.26 -0.00 -0.62 0.74 -0.17 -1.54 119.66 118.46 3dpw s GLN 183 Ca -0.12 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.01 3dpw s GLN 183 Cb -0.16 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.06 3dpw s GLN 183 CO 0.06 -0.05 -0.01 -0.65 -0.55 0.00 0.00 175.29 174.09 3dpw s GLN 184 N -0.86 0.11 0.03 1.67 -0.21 -0.47 -0.97 119.66 118.96 3dpw s GLN 184 Ca -0.09 -0.03 0.06 0.00 0.02 0.00 0.00 55.36 55.31 3dpw s GLN 184 Cb -0.06 -0.13 -0.02 0.00 1.00 0.00 0.00 33.01 33.80 3dpw s GLN 184 CO 0.00 0.01 -0.18 -0.80 -2.12 0.00 0.00 175.29 172.20 3dpw s ASN 185 N 0.06 2.14 -0.02 5.90 -0.87 -0.21 -0.61 114.94 121.33 3dpw s ASN 185 Ca -0.00 -0.46 -0.05 0.00 -1.57 0.00 0.00 52.86 50.78 3dpw s ASN 185 Cb -0.02 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 3dpw s ASN 185 CO -0.00 0.14 0.12 0.42 -2.57 0.00 0.00 177.10 175.20 3dpw s THR 186 N -0.73 0.05 0.66 1.60 -4.23 -0.78 -1.79 115.64 110.42 3dpw s THR 186 Ca 0.06 -0.38 -0.16 0.00 -1.18 0.00 0.00 61.69 60.03 3dpw s THR 186 Cb -0.08 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.46 3dpw s THR 186 CO 0.01 -0.21 1.14 -2.16 -0.54 0.00 0.00 174.62 172.86 3dpw s PRO 187 N -0.70 2.69 -0.13 3.99 0.04 -1.26 -0.95 135.00 138.68 3dpw s PRO 187 Ca -0.08 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 3dpw s PRO 187 Cb -0.05 -1.92 -0.26 0.00 0.04 0.00 0.00 34.50 32.31 3dpw s PRO 187 CO 0.01 -1.36 0.47 0.82 0.04 0.00 0.00 177.00 176.98 3dpw h ILE 188 N 0.11 0.97 -3.27 0.56 2.04 -1.23 -3.44 117.51 113.25 3dpw h ILE 188 Ca -0.48 -2.35 -0.42 0.00 1.00 0.00 0.00 64.86 62.61 3dpw h ILE 188 Cb 1.26 2.61 0.21 0.00 -0.74 0.00 0.00 36.82 40.16 3dpw h ILE 188 CO 0.53 0.66 0.00 -0.83 0.00 0.00 0.00 178.15 178.52 3dpw s GLY 189 N -5.02 1.51 0.00 5.37 0.00 -1.26 -4.94 107.32 102.98 3dpw s GLY 189 Ca -0.22 -0.41 0.19 0.00 0.00 0.00 0.00 44.72 44.28 3dpw s GLY 189 CO 0.73 0.39 1.34 1.34 0.00 0.00 0.00 173.10 176.91 3dpw n ASP 190 N -5.03 3.31 -4.79 1.64 2.03 -1.26 -5.01 116.55 107.44 3dpw n ASP 190 Ca 0.06 -1.94 -0.31 0.00 0.52 0.00 0.00 54.79 53.12 3dpw n ASP 190 Cb 0.56 -0.29 0.08 0.00 -0.72 0.00 0.00 41.12 40.76 3dpw n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dpw s GLY 191 N -1.16 1.65 0.63 0.27 0.00 -1.26 -5.01 107.32 102.43 3dpw s GLY 191 Ca 0.35 0.01 -0.15 0.00 0.00 0.00 0.00 44.72 44.93 3dpw s GLY 191 CO 0.26 0.38 1.08 2.56 0.00 0.00 0.00 173.10 177.38 3dpw s PRO 192 N -5.04 3.09 0.17 2.90 0.04 -1.26 -5.06 135.00 129.85 3dpw s PRO 192 Ca 0.60 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.95 3dpw s PRO 192 Cb -0.15 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3dpw s PRO 192 CO 0.55 -1.00 -0.11 0.14 0.04 0.00 0.00 177.00 176.62 3dpw s VAL 193 N -2.46 1.40 -0.32 -0.36 -7.23 -1.26 -4.82 120.40 105.35 3dpw s VAL 193 Ca 0.64 -2.12 -0.24 0.00 -1.81 0.00 0.00 61.98 58.45 3dpw s VAL 193 Cb -0.17 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.82 3dpw s VAL 193 CO 0.40 -0.67 0.84 -0.76 -0.31 0.00 0.00 175.10 174.60 3dpw s LEU 194 N -3.24 4.06 -0.19 1.32 1.43 -1.26 -5.05 118.68 115.76 3dpw s LEU 194 Ca 0.20 0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 53.75 3dpw s LEU 194 Cb 0.01 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 3dpw s LEU 194 CO 0.03 -0.70 0.57 -0.76 0.23 0.00 0.00 176.35 175.73 3dpw s LEU 195 N 3.13 4.16 0.46 1.79 1.43 -1.26 -3.77 118.68 124.62 3dpw s LEU 195 Ca 0.35 0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 54.02 3dpw s LEU 195 Cb -0.13 -2.80 -0.10 0.00 0.03 0.00 0.00 46.19 43.19 3dpw s LEU 195 CO 0.14 -0.21 0.98 -2.16 0.23 0.00 0.00 176.35 175.33 3dpw s PRO 196 N 1.66 4.06 0.74 1.29 0.04 -1.26 -4.89 135.00 136.64 3dpw s PRO 196 Ca 0.27 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 3dpw s PRO 196 Cb -0.16 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.27 3dpw s PRO 196 CO 0.10 -0.18 1.08 -0.51 0.04 0.00 0.00 177.00 177.54 3dpw s ASP 197 N -2.35 4.80 0.07 6.66 1.01 -1.26 -4.05 116.67 121.56 3dpw s ASP 197 Ca 0.62 1.79 -0.36 0.00 0.71 0.00 0.00 52.55 55.31 3dpw s ASP 197 Cb -0.11 -2.52 -0.16 0.00 1.01 0.00 0.00 42.92 41.15 3dpw s ASP 197 CO 0.19 -1.84 1.43 0.59 0.21 0.00 0.00 175.17 175.75 3dpw n ASN 198 N -3.28 2.04 -2.92 0.27 4.13 -1.26 -4.86 115.26 109.38 3dpw n ASN 198 Ca 0.09 1.11 -0.07 0.00 1.68 0.00 0.00 54.58 57.39 3dpw n ASN 198 Cb 0.53 -1.24 0.03 0.00 -1.54 0.00 0.00 39.78 37.55 3dpw n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dpw n HIS 199 N 2.99 -2.00 -4.11 3.10 1.44 -1.08 -4.79 115.22 110.76 3dpw n HIS 199 Ca 0.19 -1.63 -0.10 0.00 -2.01 0.00 0.00 57.72 54.17 3dpw n HIS 199 Cb 0.21 0.81 -0.10 0.00 0.12 0.00 0.00 29.99 31.02 3dpw n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dpw s TYR 200 N -2.25 0.67 -0.14 -1.40 -0.85 -0.37 -1.08 117.35 111.93 3dpw s TYR 200 Ca 0.18 -0.86 -0.06 0.00 -0.52 0.00 0.00 57.07 55.81 3dpw s TYR 200 Cb -0.04 -0.42 -0.04 0.00 0.38 0.00 0.00 41.96 41.84 3dpw s TYR 200 CO 0.10 -0.22 0.08 -0.51 -1.52 0.00 0.00 175.55 173.48 3dpw s LEU 201 N -2.60 3.99 -0.24 -3.49 1.43 0.15 -0.25 118.68 117.67 3dpw s LEU 201 Ca 0.04 0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 3dpw s LEU 201 Cb 0.02 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3dpw s LEU 201 CO -0.05 0.31 0.12 -0.44 0.23 0.00 0.00 176.35 176.52 3dpw s SER 202 N -0.43 5.70 -0.08 2.29 0.01 0.10 -1.24 113.70 120.06 3dpw s SER 202 Ca 0.10 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.34 3dpw s SER 202 Cb -0.12 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 3dpw s SER 202 CO 0.02 0.02 -0.07 -0.31 0.41 0.00 0.00 173.24 173.32 3dpw s TYR 203 N 1.29 2.95 -0.07 2.43 1.51 -0.09 -1.51 117.35 123.85 3dpw s TYR 203 Ca 0.06 -0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 3dpw s TYR 203 Cb -0.14 -1.73 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3dpw s TYR 203 CO 0.05 0.30 -0.13 -0.65 -1.11 0.00 0.00 175.55 174.02 3dpw s GLN 204 N -0.71 1.79 -0.02 -0.62 1.11 -0.50 -2.37 119.66 118.34 3dpw s GLN 204 Ca 0.11 -0.44 0.01 0.00 0.01 0.00 0.00 55.36 55.05 3dpw s GLN 204 Cb -0.11 -1.50 0.01 0.00 -1.01 0.00 0.00 33.01 30.40 3dpw s GLN 204 CO 0.02 0.01 -0.02 -1.12 0.01 0.00 0.00 175.29 174.18 3dpw s SER 205 N 0.74 0.49 -0.07 5.90 0.01 -1.26 -0.80 113.70 118.71 3dpw s SER 205 Ca -0.13 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.08 3dpw s SER 205 Cb -0.16 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 65.92 3dpw s SER 205 CO 0.03 -0.03 -0.07 0.00 0.41 0.00 0.00 173.24 173.58 3dpw s ALA 206 N 0.53 1.00 -0.12 1.44 0.00 0.22 -4.66 121.76 120.18 3dpw s ALA 206 Ca -0.06 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 3dpw s ALA 206 Cb -0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3dpw s ALA 206 CO -0.01 -0.16 0.13 -0.51 0.00 0.00 0.00 175.76 175.20 3dpw s LEU 207 N 1.24 4.30 0.33 0.00 1.43 -1.26 -1.25 118.68 123.47 3dpw s LEU 207 Ca -0.05 0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.43 3dpw s LEU 207 Cb -0.14 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3dpw s LEU 207 CO -0.02 0.40 0.49 -0.94 0.23 0.00 0.00 176.35 176.51 3dpw s SER 208 N -0.97 0.65 0.13 2.29 1.04 0.66 -4.95 113.70 112.55 3dpw s SER 208 Ca 0.15 -1.36 0.08 0.00 0.48 0.00 0.00 55.95 55.29 3dpw s SER 208 Cb -0.12 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 3dpw s SER 208 CO 0.04 -1.29 -0.09 -0.54 0.98 0.00 0.00 173.24 172.34 3dpw s LYS 209 N -3.19 2.13 -0.31 4.02 -0.14 -1.26 -0.53 119.74 120.46 3dpw s LYS 209 Ca 0.28 -1.11 -0.23 0.00 -1.36 0.00 0.00 55.97 53.55 3dpw s LYS 209 Cb -0.01 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 3dpw s LYS 209 CO 0.17 0.48 0.78 0.34 -0.76 0.00 0.00 175.35 176.36 3dpw s ASP 210 N -2.47 6.65 0.00 2.83 -1.08 -1.26 -4.94 116.67 116.39 3dpw s ASP 210 Ca 0.23 0.64 0.14 0.00 -0.52 0.00 0.00 52.55 53.04 3dpw s ASP 210 Cb -0.10 -2.40 0.71 0.00 -1.46 0.00 0.00 42.92 39.66 3dpw s ASP 210 CO 0.15 -0.61 1.41 -0.81 0.52 0.00 0.00 175.17 175.82 3dpw n PRO 211 N 6.20 0.17 0.00 4.34 -0.04 -1.26 -2.01 135.00 142.39 3dpw n PRO 211 Ca 0.03 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 3dpw n PRO 211 Cb 0.48 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.55 3dpw n PRO 211 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dpw n ASN 212 N -1.33 2.45 -4.56 3.54 3.02 -1.26 -4.94 115.26 112.17 3dpw n ASN 212 Ca 0.06 -1.73 -0.38 0.00 -0.03 0.00 0.00 54.58 52.49 3dpw n ASN 212 Cb 0.13 0.18 -0.11 0.00 -0.61 0.00 0.00 39.78 39.37 3dpw n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dpw s GLU 213 N -2.20 3.83 0.13 3.52 2.56 -0.85 -4.97 118.70 120.72 3dpw s GLU 213 Ca 0.25 -0.40 0.24 0.00 0.00 0.00 0.00 54.97 55.06 3dpw s GLU 213 Cb 0.19 -3.65 0.23 0.00 2.00 0.00 0.00 34.13 32.91 3dpw s GLU 213 CO 0.41 -0.23 1.22 0.87 -0.56 0.00 0.00 175.26 176.97 3dpw h LYS 214 N 8.38 0.00 -7.33 4.30 1.79 -1.92 -3.47 116.57 118.32 3dpw h LYS 214 Ca -0.35 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.61 3dpw h LYS 214 Cb 1.18 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.91 3dpw h LYS 214 CO 0.57 0.00 0.39 1.03 -1.08 0.00 0.00 179.45 180.35 3dpw s ARG 215 N -3.21 3.20 0.01 3.15 0.52 -1.26 -4.99 118.95 116.37 3dpw s ARG 215 Ca 0.04 0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 55.86 3dpw s ARG 215 Cb 0.13 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.51 3dpw s ARG 215 CO 0.75 -0.89 1.44 0.34 0.02 0.00 0.00 175.30 176.95 3dpw s ASP 216 N -3.82 6.81 0.27 0.23 -1.08 -1.26 -4.95 116.67 112.86 3dpw s ASP 216 Ca 0.57 2.18 -0.16 0.00 -0.52 0.00 0.00 52.55 54.63 3dpw s ASP 216 Cb -0.13 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 38.77 3dpw s ASP 216 CO 0.53 -0.74 0.57 -1.38 0.52 0.00 0.00 175.17 174.67 3dpw s HIS 217 N 2.39 0.18 -0.16 -5.34 -3.43 -1.26 -0.18 115.29 107.48 3dpw s HIS 217 Ca 0.65 -0.58 -0.07 0.00 -0.80 0.00 0.00 55.06 54.26 3dpw s HIS 217 Cb -0.33 0.39 0.07 0.00 -1.43 0.00 0.00 32.58 31.28 3dpw s HIS 217 CO 0.27 -1.10 0.36 1.41 -2.00 0.00 0.00 174.74 173.69 3dpw s MET 218 N -3.91 0.29 -0.20 -0.38 1.75 -0.65 -4.95 119.30 111.26 3dpw s MET 218 Ca 0.18 0.84 -0.19 0.00 -1.25 0.00 0.00 55.69 55.27 3dpw s MET 218 Cb -0.03 0.09 -0.03 0.00 2.84 0.00 0.00 34.83 37.71 3dpw s MET 218 CO 0.09 -0.22 0.57 0.08 -0.65 0.00 0.00 175.02 174.88 3dpw s VAL 219 N 2.05 5.07 -0.22 10.11 1.01 0.31 -0.53 120.40 138.19 3dpw s VAL 219 Ca -0.04 1.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 3dpw s VAL 219 Cb -0.11 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 3dpw s VAL 219 CO -0.11 0.15 -0.04 -0.22 0.00 0.00 0.00 175.10 174.88 3dpw s LEU 220 N 1.74 2.93 -0.24 3.92 2.96 0.28 -0.24 118.68 130.02 3dpw s LEU 220 Ca 0.26 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.73 3dpw s LEU 220 Cb -0.16 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3dpw s LEU 220 CO 0.10 -0.01 0.05 -0.22 -1.32 0.00 0.00 176.35 174.95 3dpw s LEU 221 N 1.44 3.38 -0.01 -0.68 2.96 -0.38 -0.76 118.68 124.63 3dpw s LEU 221 Ca 0.05 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3dpw s LEU 221 Cb -0.14 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 3dpw s LEU 221 CO -0.03 -0.01 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.21 3dpw s GLU 222 N 1.45 1.42 -0.06 1.98 2.02 -0.59 -0.61 118.70 124.31 3dpw s GLU 222 Ca 0.05 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.43 3dpw s GLU 222 Cb -0.15 -1.38 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 3dpw s GLU 222 CO 0.03 0.38 -0.22 -0.06 0.02 0.00 0.00 175.26 175.40 3dpw s PHE 223 N -0.46 2.20 -0.04 1.61 0.08 0.02 -0.21 117.98 121.17 3dpw s PHE 223 Ca 0.07 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.44 3dpw s PHE 223 Cb -0.07 -1.46 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 3dpw s PHE 223 CO -0.00 -0.22 -0.02 0.08 -0.10 0.00 0.00 175.22 174.95 3dpw s VAL 224 N -0.03 0.39 -0.02 -0.44 1.01 -0.04 -1.42 120.40 119.85 3dpw s VAL 224 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 3dpw s VAL 224 Cb -0.14 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.82 3dpw s VAL 224 CO 0.04 0.20 0.03 -0.89 0.00 0.00 0.00 175.10 174.47 3dpw s THR 225 N 1.05 -0.03 0.42 3.92 2.01 -0.57 -1.26 115.64 121.18 3dpw s THR 225 Ca -0.09 0.21 -0.24 0.00 0.31 0.00 0.00 61.69 61.87 3dpw s THR 225 Cb -0.14 -0.11 -0.08 0.00 0.01 0.00 0.00 72.50 72.18 3dpw s THR 225 CO -0.01 0.10 1.16 0.00 -0.69 0.00 0.00 174.62 175.19 3dpw s ALA 226 N 1.13 3.10 0.33 7.40 0.00 -0.14 0.03 121.76 133.60 3dpw s ALA 226 Ca -0.08 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 3dpw s ALA 226 Cb -0.13 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3dpw s ALA 226 CO -0.03 -0.55 0.58 0.00 0.00 0.00 0.00 175.76 175.76 3dpw n ALA 227 N -0.10 -1.00 0.00 0.00 0.00 0.66 -4.48 120.51 115.58 3dpw n ALA 227 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3dpw n ALA 227 Cb 0.47 1.01 0.00 0.00 0.00 0.00 0.00 19.45 20.93 3dpw n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dpw n GLY 228 N -0.49 0.65 2.86 0.00 0.00 -1.26 -1.23 105.19 105.72 3dpw n GLY 228 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3dpw n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dpw s ILE 229 N -2.00 1.18 -2.35 -0.61 1.01 -1.26 -4.88 121.20 112.29 3dpw s ILE 229 Ca 0.00 -1.04 0.29 0.00 0.00 0.00 0.00 60.65 59.90 3dpw s ILE 229 Cb 0.00 -1.56 0.66 0.00 0.01 0.00 0.00 42.46 41.57 3dpw s ILE 229 CO 0.00 -0.18 1.89 0.35 0.00 0.00 0.00 174.94 177.00